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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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/SNORD3C-8a4b9e13/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/SNORD3C-8a4b9e13/inputs/seq.fa: 1 curr_seq: _AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAGACUAUACUUUCAGGGAUCAUUUCUAUAGUGUGUUACUAGAGAAGUUUCUCUGAACGUGUAGAGCACCGAAAACCACGAGGAAGAGAGGUAGCGUUUUCUCCUGAACGUGAAGCCGGCUUUCUGGCGUUGCUUGGCUGCAACUGCCGUCAGCCAUUGAUGAUCGUUCUUCUCUCCGUAUUGGGGAGUGAGAGGGAGAGAACGCGGUCUGAGUGGU 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 217 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: 1090 n_atoms_counter: 1090 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 217.000000 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: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 1 Temperature: 1.250000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -863.552197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.552197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.552197 (E_RNA) where: Base-Base interactions energy: -18.974 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.000 local terms energy: -844.578082 where: bonds (distance) C4'-P energy: -210.832 bonds (distance) P-C4' energy: -195.034 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -182.253 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1054.435057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.435057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.435057 (E_RNA) where: Base-Base interactions energy: -455.608 where: short stacking energy: -453.770 Base-Backbone interact. energy: -0.211 local terms energy: -598.615388 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -133.960 flat angles C4'-P-C4' energy: -135.721 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -115.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -994.345194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.345194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.345194 (E_RNA) where: Base-Base interactions energy: -417.473 where: short stacking energy: -401.791 Base-Backbone interact. energy: -0.352 local terms energy: -576.520107 where: bonds (distance) C4'-P energy: -128.848 bonds (distance) P-C4' energy: -142.504 flat angles C4'-P-C4' energy: -124.552 flat angles P-C4'-P energy: -86.655 tors. eta vs tors. theta energy: -93.961 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -905.883119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.883119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.883119 (E_RNA) where: Base-Base interactions energy: -380.314 where: short stacking energy: -380.314 Base-Backbone interact. energy: -0.058 local terms energy: -525.511662 where: bonds (distance) C4'-P energy: -116.190 bonds (distance) P-C4' energy: -148.300 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -84.337 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -866.875529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.875529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.875529 (E_RNA) where: Base-Base interactions energy: -23.471 where: short stacking energy: -23.471 Base-Backbone interact. energy: -0.000 local terms energy: -843.404714 where: bonds (distance) C4'-P energy: -209.967 bonds (distance) P-C4' energy: -194.073 flat angles C4'-P-C4' energy: -159.297 flat angles P-C4'-P energy: -182.030 tors. eta vs tors. theta energy: -98.038 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -868.781318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.781318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.781318 (E_RNA) where: Base-Base interactions energy: -25.348 where: short stacking energy: -25.348 Base-Backbone interact. energy: -0.000 local terms energy: -843.432688 where: bonds (distance) C4'-P energy: -209.860 bonds (distance) P-C4' energy: -194.098 flat angles C4'-P-C4' energy: -159.582 flat angles P-C4'-P energy: -182.011 tors. eta vs tors. theta energy: -97.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -868.428352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.428352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.428352 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.000 local terms energy: -843.516607 where: bonds (distance) C4'-P energy: -209.860 bonds (distance) P-C4' energy: -194.098 flat angles C4'-P-C4' energy: -159.670 flat angles P-C4'-P energy: -182.011 tors. eta vs tors. theta energy: -97.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -868.392065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.392065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.392065 (E_RNA) where: Base-Base interactions energy: -28.837 where: short stacking energy: -28.837 Base-Backbone interact. energy: -0.000 local terms energy: -839.555190 where: bonds (distance) C4'-P energy: -207.902 bonds (distance) P-C4' energy: -192.005 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -181.711 tors. eta vs tors. theta energy: -98.412 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -868.302293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.302293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.302293 (E_RNA) where: Base-Base interactions energy: -26.541 where: short stacking energy: -26.541 Base-Backbone interact. energy: -0.000 local terms energy: -841.761434 where: bonds (distance) C4'-P energy: -209.450 bonds (distance) P-C4' energy: -192.787 flat angles C4'-P-C4' energy: -159.739 flat angles P-C4'-P energy: -181.756 tors. eta vs tors. theta energy: -98.029 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -867.499380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.499380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.499380 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.000 local terms energy: -841.650867 where: bonds (distance) C4'-P energy: -209.334 bonds (distance) P-C4' energy: -193.017 flat angles C4'-P-C4' energy: -159.399 flat angles P-C4'-P energy: -181.719 tors. eta vs tors. theta energy: -98.183 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -867.499132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.499132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.499132 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.000 local terms energy: -841.650867 where: bonds (distance) C4'-P energy: -209.334 bonds (distance) P-C4' energy: -193.017 flat angles C4'-P-C4' energy: -159.399 flat angles P-C4'-P energy: -181.719 tors. eta vs tors. theta energy: -98.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1081.993646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.993646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.993646 (E_RNA) where: Base-Base interactions energy: -456.177 where: short stacking energy: -448.999 Base-Backbone interact. energy: 0.594 local terms energy: -626.411173 where: bonds (distance) C4'-P energy: -142.396 bonds (distance) P-C4' energy: -141.276 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -91.853 tors. eta vs tors. theta energy: -112.755 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1013.607513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.607513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.607513 (E_RNA) where: Base-Base interactions energy: -420.679 where: short stacking energy: -401.318 Base-Backbone interact. energy: -1.275 local terms energy: -591.653732 where: bonds (distance) C4'-P energy: -122.807 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -131.942 flat angles P-C4'-P energy: -98.711 tors. eta vs tors. theta energy: -97.677 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -965.550737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.550737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.550737 (E_RNA) where: Base-Base interactions energy: -397.106 where: short stacking energy: -385.694 Base-Backbone interact. energy: -1.040 local terms energy: -567.404448 where: bonds (distance) C4'-P energy: -121.567 bonds (distance) P-C4' energy: -141.761 flat angles C4'-P-C4' energy: -128.960 flat angles P-C4'-P energy: -73.451 tors. eta vs tors. theta energy: -101.665 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: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -887.854928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.854928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.854928 (E_RNA) where: Base-Base interactions energy: -355.406 where: short stacking energy: -349.789 Base-Backbone interact. energy: -0.356 local terms energy: -532.093164 where: bonds (distance) C4'-P energy: -123.251 bonds (distance) P-C4' energy: -126.829 flat angles C4'-P-C4' energy: -121.427 flat angles P-C4'-P energy: -89.581 tors. eta vs tors. theta energy: -71.006 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -807.888676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.888676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.888676 (E_RNA) where: Base-Base interactions energy: -313.510 where: short stacking energy: -308.098 Base-Backbone interact. energy: -0.561 local terms energy: -493.817593 where: bonds (distance) C4'-P energy: -123.470 bonds (distance) P-C4' energy: -128.538 flat angles C4'-P-C4' energy: -121.337 flat angles P-C4'-P energy: -63.826 tors. eta vs tors. theta energy: -56.647 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: 3 Temperature: 1.150000 Total energy: -743.739360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.739360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.739360 (E_RNA) where: Base-Base interactions energy: -285.814 where: short stacking energy: -268.349 Base-Backbone interact. energy: 0.136 local terms energy: -458.061610 where: bonds (distance) C4'-P energy: -121.216 bonds (distance) P-C4' energy: -130.342 flat angles C4'-P-C4' energy: -109.401 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -31.844 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -670.766483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.766483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.766483 (E_RNA) where: Base-Base interactions energy: -252.367 where: short stacking energy: -213.447 Base-Backbone interact. energy: -1.131 local terms energy: -417.268124 where: bonds (distance) C4'-P energy: -101.831 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -110.684 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -23.534 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: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -597.559867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.559867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.559867 (E_RNA) where: Base-Base interactions energy: -226.390 where: short stacking energy: -194.667 Base-Backbone interact. energy: 1.984 local terms energy: -373.153573 where: bonds (distance) C4'-P energy: -126.706 bonds (distance) P-C4' energy: -102.516 flat angles C4'-P-C4' energy: -102.472 flat angles P-C4'-P energy: -42.796 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -600.749778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.749778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.749778 (E_RNA) where: Base-Base interactions energy: -232.130 where: short stacking energy: -206.166 Base-Backbone interact. energy: -0.270 local terms energy: -368.349628 where: bonds (distance) C4'-P energy: -110.632 bonds (distance) P-C4' energy: -102.166 flat angles C4'-P-C4' energy: -107.434 flat angles P-C4'-P energy: -37.230 tors. eta vs tors. theta energy: -10.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -537.125104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.125104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.125104 (E_RNA) where: Base-Base interactions energy: -179.404 where: short stacking energy: -173.576 Base-Backbone interact. energy: 0.467 local terms energy: -358.187391 where: bonds (distance) C4'-P energy: -96.534 bonds (distance) P-C4' energy: -121.953 flat angles C4'-P-C4' energy: -83.172 flat angles P-C4'-P energy: -55.310 tors. eta vs tors. theta energy: -1.218 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1190.182957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.182957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.182957 (E_RNA) where: Base-Base interactions energy: -558.069 where: short stacking energy: -514.592 Base-Backbone interact. energy: -0.557 local terms energy: -631.557653 where: bonds (distance) C4'-P energy: -129.420 bonds (distance) P-C4' energy: -136.436 flat angles C4'-P-C4' energy: -151.462 flat angles P-C4'-P energy: -75.957 tors. eta vs tors. theta energy: -138.283 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1088.127262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.127262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.127262 (E_RNA) where: Base-Base interactions energy: -495.494 where: short stacking energy: -452.472 Base-Backbone interact. energy: 0.685 local terms energy: -593.318082 where: bonds (distance) C4'-P energy: -118.929 bonds (distance) P-C4' energy: -140.155 flat angles C4'-P-C4' energy: -146.361 flat angles P-C4'-P energy: -87.760 tors. eta vs tors. theta energy: -100.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -961.178712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.178712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.178712 (E_RNA) where: Base-Base interactions energy: -427.915 where: short stacking energy: -390.653 Base-Backbone interact. energy: 1.528 local terms energy: -534.791391 where: bonds (distance) C4'-P energy: -134.549 bonds (distance) P-C4' energy: -128.269 flat angles C4'-P-C4' energy: -125.791 flat angles P-C4'-P energy: -68.052 tors. eta vs tors. theta energy: -78.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -863.330270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.330270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.330270 (E_RNA) where: Base-Base interactions energy: -353.204 where: short stacking energy: -328.529 Base-Backbone interact. energy: 1.339 local terms energy: -511.465560 where: bonds (distance) C4'-P energy: -127.928 bonds (distance) P-C4' energy: -124.170 flat angles C4'-P-C4' energy: -118.683 flat angles P-C4'-P energy: -78.812 tors. eta vs tors. theta energy: -61.873 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: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -819.199882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.199882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.199882 (E_RNA) where: Base-Base interactions energy: -362.354 where: short stacking energy: -279.793 Base-Backbone interact. energy: -2.217 local terms energy: -454.628642 where: bonds (distance) C4'-P energy: -117.541 bonds (distance) P-C4' energy: -120.735 flat angles C4'-P-C4' energy: -119.613 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -32.111 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -736.196703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.196703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.196703 (E_RNA) where: Base-Base interactions energy: -271.683 where: short stacking energy: -255.857 Base-Backbone interact. energy: 1.243 local terms energy: -465.757282 where: bonds (distance) C4'-P energy: -120.607 bonds (distance) P-C4' energy: -130.403 flat angles C4'-P-C4' energy: -115.868 flat angles P-C4'-P energy: -76.471 tors. eta vs tors. theta energy: -22.409 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: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -680.832230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.832230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.832230 (E_RNA) where: Base-Base interactions energy: -276.435 where: short stacking energy: -224.011 Base-Backbone interact. energy: 3.347 local terms energy: -407.743732 where: bonds (distance) C4'-P energy: -100.134 bonds (distance) P-C4' energy: -130.026 flat angles C4'-P-C4' energy: -110.691 flat angles P-C4'-P energy: -50.949 tors. eta vs tors. theta energy: -15.945 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: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -606.087684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.087684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.087684 (E_RNA) where: Base-Base interactions energy: -240.659 where: short stacking energy: -204.819 Base-Backbone interact. energy: -2.699 local terms energy: -362.729800 where: bonds (distance) C4'-P energy: -95.998 bonds (distance) P-C4' energy: -120.295 flat angles C4'-P-C4' energy: -103.410 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: 3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -567.300618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.300618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.300618 (E_RNA) where: Base-Base interactions energy: -199.888 where: short stacking energy: -180.434 Base-Backbone interact. energy: -1.937 local terms energy: -365.475765 where: bonds (distance) C4'-P energy: -124.974 bonds (distance) P-C4' energy: -130.303 flat angles C4'-P-C4' energy: -63.932 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: 11.747 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: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -552.350211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.350211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.350211 (E_RNA) where: Base-Base interactions energy: -185.774 where: short stacking energy: -154.638 Base-Backbone interact. energy: -2.194 local terms energy: -364.381503 where: bonds (distance) C4'-P energy: -109.721 bonds (distance) P-C4' energy: -107.583 flat angles C4'-P-C4' energy: -85.092 flat angles P-C4'-P energy: -63.253 tors. eta vs tors. theta energy: 1.266 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1154.778593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.778593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.778593 (E_RNA) where: Base-Base interactions energy: -529.016 where: short stacking energy: -472.484 Base-Backbone interact. energy: -0.603 local terms energy: -625.159958 where: bonds (distance) C4'-P energy: -125.989 bonds (distance) P-C4' energy: -150.931 flat angles C4'-P-C4' energy: -139.461 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -115.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1152.919608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.919608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.919608 (E_RNA) where: Base-Base interactions energy: -593.909 where: short stacking energy: -435.003 Base-Backbone interact. energy: -0.573 local terms energy: -558.437415 where: bonds (distance) C4'-P energy: -120.537 bonds (distance) P-C4' energy: -126.893 flat angles C4'-P-C4' energy: -139.807 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1075.611202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.611202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.611202 (E_RNA) where: Base-Base interactions energy: -497.422 where: short stacking energy: -399.816 Base-Backbone interact. energy: -1.407 local terms energy: -576.781849 where: bonds (distance) C4'-P energy: -142.819 bonds (distance) P-C4' energy: -130.910 flat angles C4'-P-C4' energy: -128.581 flat angles P-C4'-P energy: -89.751 tors. eta vs tors. theta energy: -84.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -938.481866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.481866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.481866 (E_RNA) where: Base-Base interactions energy: -416.635 where: short stacking energy: -317.991 Base-Backbone interact. energy: -0.295 local terms energy: -521.551751 where: bonds (distance) C4'-P energy: -126.366 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -127.644 flat angles P-C4'-P energy: -72.999 tors. eta vs tors. theta energy: -65.900 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: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -848.550780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.550780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.550780 (E_RNA) where: Base-Base interactions energy: -363.868 where: short stacking energy: -261.745 Base-Backbone interact. energy: -1.359 local terms energy: -483.324039 where: bonds (distance) C4'-P energy: -132.473 bonds (distance) P-C4' energy: -130.434 flat angles C4'-P-C4' energy: -122.357 flat angles P-C4'-P energy: -66.449 tors. eta vs tors. theta energy: -31.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -805.070111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.070111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.070111 (E_RNA) where: Base-Base interactions energy: -366.681 where: short stacking energy: -249.155 Base-Backbone interact. energy: -1.677 local terms energy: -436.712516 where: bonds (distance) C4'-P energy: -132.848 bonds (distance) P-C4' energy: -119.139 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -56.227 tors. eta vs tors. theta energy: -25.226 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: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -682.502443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.502443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.502443 (E_RNA) where: Base-Base interactions energy: -271.674 where: short stacking energy: -223.160 Base-Backbone interact. energy: -0.276 local terms energy: -410.553030 where: bonds (distance) C4'-P energy: -115.867 bonds (distance) P-C4' energy: -126.288 flat angles C4'-P-C4' energy: -91.360 flat angles P-C4'-P energy: -61.749 tors. eta vs tors. theta energy: -15.289 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: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -638.310906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.310906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.310906 (E_RNA) where: Base-Base interactions energy: -267.789 where: short stacking energy: -204.497 Base-Backbone interact. energy: 9.545 local terms energy: -380.067053 where: bonds (distance) C4'-P energy: -102.856 bonds (distance) P-C4' energy: -113.588 flat angles C4'-P-C4' energy: -95.350 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -530.611896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.611896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.611896 (E_RNA) where: Base-Base interactions energy: -163.685 where: short stacking energy: -150.067 Base-Backbone interact. energy: 0.900 local terms energy: -367.826741 where: bonds (distance) C4'-P energy: -111.700 bonds (distance) P-C4' energy: -123.874 flat angles C4'-P-C4' energy: -97.361 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: 11.464 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: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -556.396856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.396856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.396856 (E_RNA) where: Base-Base interactions energy: -203.726 where: short stacking energy: -158.778 Base-Backbone interact. energy: 5.283 local terms energy: -357.953722 where: bonds (distance) C4'-P energy: -105.553 bonds (distance) P-C4' energy: -117.455 flat angles C4'-P-C4' energy: -98.516 flat angles P-C4'-P energy: -51.336 tors. eta vs tors. theta energy: 14.907 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: 6 Temperature: 0.900000 Total energy: -1163.684880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.684880 (E_RNA) where: Base-Base interactions energy: -557.316 where: short stacking energy: -477.459 Base-Backbone interact. energy: 0.769 local terms energy: -607.137911 where: bonds (distance) C4'-P energy: -123.609 bonds (distance) P-C4' energy: -135.787 flat angles C4'-P-C4' energy: -142.881 flat angles P-C4'-P energy: -87.029 tors. eta vs tors. theta energy: -117.833 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1169.250283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.250283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.250283 (E_RNA) where: Base-Base interactions energy: -584.469 where: short stacking energy: -443.599 Base-Backbone interact. energy: -0.349 local terms energy: -584.432069 where: bonds (distance) C4'-P energy: -124.632 bonds (distance) P-C4' energy: -131.436 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -93.131 tors. eta vs tors. theta energy: -110.901 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: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1058.512015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.512015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.512015 (E_RNA) where: Base-Base interactions energy: -503.872 where: short stacking energy: -394.214 Base-Backbone interact. energy: -0.316 local terms energy: -554.324020 where: bonds (distance) C4'-P energy: -120.559 bonds (distance) P-C4' energy: -138.832 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -83.614 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: 6 Temperature: 1.050000 Total energy: -928.595208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.595208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.595208 (E_RNA) where: Base-Base interactions energy: -437.532 where: short stacking energy: -318.765 Base-Backbone interact. energy: -3.739 local terms energy: -487.324272 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -118.145 flat angles C4'-P-C4' energy: -99.729 flat angles P-C4'-P energy: -97.227 tors. eta vs tors. theta energy: -52.985 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: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -868.485500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.485500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.485500 (E_RNA) where: Base-Base interactions energy: -383.110 where: short stacking energy: -292.221 Base-Backbone interact. energy: -0.884 local terms energy: -484.491373 where: bonds (distance) C4'-P energy: -129.248 bonds (distance) P-C4' energy: -138.531 flat angles C4'-P-C4' energy: -101.769 flat angles P-C4'-P energy: -76.797 tors. eta vs tors. theta energy: -38.146 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: 8 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -876.576511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.576511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.576511 (E_RNA) where: Base-Base interactions energy: -392.399 where: short stacking energy: -266.516 Base-Backbone interact. energy: -1.968 local terms energy: -482.209296 where: bonds (distance) C4'-P energy: -125.617 bonds (distance) P-C4' energy: -124.541 flat angles C4'-P-C4' energy: -127.316 flat angles P-C4'-P energy: -70.772 tors. eta vs tors. theta energy: -33.963 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -653.535750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.535750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.535750 (E_RNA) where: Base-Base interactions energy: -233.433 where: short stacking energy: -212.835 Base-Backbone interact. energy: -0.823 local terms energy: -419.279772 where: bonds (distance) C4'-P energy: -104.284 bonds (distance) P-C4' energy: -118.792 flat angles C4'-P-C4' energy: -118.333 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -8.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -661.691014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.691014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.691014 (E_RNA) where: Base-Base interactions energy: -261.647 where: short stacking energy: -178.160 Base-Backbone interact. energy: -2.561 local terms energy: -397.483026 where: bonds (distance) C4'-P energy: -112.697 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -91.144 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -600.718341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.718341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.718341 (E_RNA) where: Base-Base interactions energy: -231.310 where: short stacking energy: -173.484 Base-Backbone interact. energy: 6.985 local terms energy: -376.393815 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -125.081 flat angles C4'-P-C4' energy: -70.966 flat angles P-C4'-P energy: -72.005 tors. eta vs tors. theta energy: -0.841 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -508.972798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.972798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.972798 (E_RNA) where: Base-Base interactions energy: -193.225 where: short stacking energy: -167.900 Base-Backbone interact. energy: 4.410 local terms energy: -320.157839 where: bonds (distance) C4'-P energy: -104.634 bonds (distance) P-C4' energy: -110.993 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: 15.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1295.688972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.688972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.688972 (E_RNA) where: Base-Base interactions energy: -675.581 where: short stacking energy: -463.732 Base-Backbone interact. energy: -1.527 local terms energy: -618.581404 where: bonds (distance) C4'-P energy: -116.324 bonds (distance) P-C4' energy: -144.323 flat angles C4'-P-C4' energy: -141.916 flat angles P-C4'-P energy: -95.188 tors. eta vs tors. theta energy: -120.831 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1257.963802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.963802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.963802 (E_RNA) where: Base-Base interactions energy: -658.519 where: short stacking energy: -430.258 Base-Backbone interact. energy: -6.437 local terms energy: -593.007880 where: bonds (distance) C4'-P energy: -119.903 bonds (distance) P-C4' energy: -132.860 flat angles C4'-P-C4' energy: -138.466 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -113.684 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1137.591778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.591778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.591778 (E_RNA) where: Base-Base interactions energy: -579.314 where: short stacking energy: -381.394 Base-Backbone interact. energy: -2.096 local terms energy: -556.181792 where: bonds (distance) C4'-P energy: -124.374 bonds (distance) P-C4' energy: -139.154 flat angles C4'-P-C4' energy: -126.347 flat angles P-C4'-P energy: -85.414 tors. eta vs tors. theta energy: -80.894 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: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1020.614336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.614336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.614336 (E_RNA) where: Base-Base interactions energy: -456.722 where: short stacking energy: -329.532 Base-Backbone interact. energy: -2.336 local terms energy: -561.557059 where: bonds (distance) C4'-P energy: -138.676 bonds (distance) P-C4' energy: -147.746 flat angles C4'-P-C4' energy: -135.020 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -70.952 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -925.335001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.335001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.335001 (E_RNA) where: Base-Base interactions energy: -454.345 where: short stacking energy: -301.731 Base-Backbone interact. energy: -0.061 local terms energy: -470.929168 where: bonds (distance) C4'-P energy: -103.308 bonds (distance) P-C4' energy: -117.024 flat angles C4'-P-C4' energy: -130.199 flat angles P-C4'-P energy: -72.097 tors. eta vs tors. theta energy: -48.302 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: 6, replica: 8 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -912.548786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.548786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.548786 (E_RNA) where: Base-Base interactions energy: -434.754 where: short stacking energy: -285.125 Base-Backbone interact. energy: 2.467 local terms energy: -480.261924 where: bonds (distance) C4'-P energy: -117.077 bonds (distance) P-C4' energy: -130.878 flat angles C4'-P-C4' energy: -118.189 flat angles P-C4'-P energy: -69.242 tors. eta vs tors. theta energy: -44.875 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: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -677.651413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.651413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.651413 (E_RNA) where: Base-Base interactions energy: -298.537 where: short stacking energy: -195.687 Base-Backbone interact. energy: -1.699 local terms energy: -377.415150 where: bonds (distance) C4'-P energy: -109.659 bonds (distance) P-C4' energy: -121.104 flat angles C4'-P-C4' energy: -106.619 flat angles P-C4'-P energy: -47.550 tors. eta vs tors. theta energy: 7.517 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: 8, replica: 6 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -651.178924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.178924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.178924 (E_RNA) where: Base-Base interactions energy: -265.221 where: short stacking energy: -205.405 Base-Backbone interact. energy: 9.858 local terms energy: -395.815906 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -107.137 flat angles C4'-P-C4' energy: -97.806 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -10.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -616.347147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.347147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.347147 (E_RNA) where: Base-Base interactions energy: -250.999 where: short stacking energy: -180.012 Base-Backbone interact. energy: 3.344 local terms energy: -368.692424 where: bonds (distance) C4'-P energy: -98.712 bonds (distance) P-C4' energy: -119.845 flat angles C4'-P-C4' energy: -89.324 flat angles P-C4'-P energy: -62.662 tors. eta vs tors. theta energy: 1.850 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -493.636012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.636012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.636012 (E_RNA) where: Base-Base interactions energy: -168.284 where: short stacking energy: -120.255 Base-Backbone interact. energy: 1.336 local terms energy: -326.687935 where: bonds (distance) C4'-P energy: -99.165 bonds (distance) P-C4' energy: -115.834 flat angles C4'-P-C4' energy: -81.344 flat angles P-C4'-P energy: -71.197 tors. eta vs tors. theta energy: 40.851 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: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1367.122231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.122231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.122231 (E_RNA) where: Base-Base interactions energy: -740.914 where: short stacking energy: -453.518 Base-Backbone interact. energy: -1.811 local terms energy: -624.397609 where: bonds (distance) C4'-P energy: -128.065 bonds (distance) P-C4' energy: -153.211 flat angles C4'-P-C4' energy: -139.467 flat angles P-C4'-P energy: -89.589 tors. eta vs tors. theta energy: -114.067 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1259.549790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.549790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.549790 (E_RNA) where: Base-Base interactions energy: -680.906 where: short stacking energy: -401.542 Base-Backbone interact. energy: -4.555 local terms energy: -574.088482 where: bonds (distance) C4'-P energy: -131.568 bonds (distance) P-C4' energy: -126.876 flat angles C4'-P-C4' energy: -127.508 flat angles P-C4'-P energy: -100.864 tors. eta vs tors. theta energy: -87.273 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1185.442333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.442333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.442333 (E_RNA) where: Base-Base interactions energy: -621.908 where: short stacking energy: -390.036 Base-Backbone interact. energy: -0.585 local terms energy: -562.949787 where: bonds (distance) C4'-P energy: -141.561 bonds (distance) P-C4' energy: -134.082 flat angles C4'-P-C4' energy: -130.239 flat angles P-C4'-P energy: -75.571 tors. eta vs tors. theta energy: -81.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1118.405866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.405866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.405866 (E_RNA) where: Base-Base interactions energy: -626.175 where: short stacking energy: -343.774 Base-Backbone interact. energy: -1.273 local terms energy: -490.957248 where: bonds (distance) C4'-P energy: -119.156 bonds (distance) P-C4' energy: -108.488 flat angles C4'-P-C4' energy: -125.954 flat angles P-C4'-P energy: -79.081 tors. eta vs tors. theta energy: -58.279 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: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -978.421120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.421120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.421120 (E_RNA) where: Base-Base interactions energy: -466.570 where: short stacking energy: -312.446 Base-Backbone interact. energy: -1.807 local terms energy: -510.044122 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -129.271 flat angles C4'-P-C4' energy: -126.919 flat angles P-C4'-P energy: -72.268 tors. eta vs tors. theta energy: -56.458 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: 6, replica: 8 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -993.474749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.474749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.474749 (E_RNA) where: Base-Base interactions energy: -564.205 where: short stacking energy: -329.691 Base-Backbone interact. energy: 1.884 local terms energy: -431.153884 where: bonds (distance) C4'-P energy: -94.679 bonds (distance) P-C4' energy: -126.962 flat angles C4'-P-C4' energy: -97.807 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -36.271 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: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -725.103724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.103724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.103724 (E_RNA) where: Base-Base interactions energy: -299.872 where: short stacking energy: -202.798 Base-Backbone interact. energy: 0.792 local terms energy: -426.023415 where: bonds (distance) C4'-P energy: -109.830 bonds (distance) P-C4' energy: -129.785 flat angles C4'-P-C4' energy: -94.650 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -18.411 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -652.476105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.476105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.476105 (E_RNA) where: Base-Base interactions energy: -243.200 where: short stacking energy: -194.915 Base-Backbone interact. energy: 3.342 local terms energy: -412.618072 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -112.941 flat angles C4'-P-C4' energy: -106.848 flat angles P-C4'-P energy: -70.586 tors. eta vs tors. theta energy: -12.335 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: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -667.538338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.538338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.538338 (E_RNA) where: Base-Base interactions energy: -313.488 where: short stacking energy: -212.601 Base-Backbone interact. energy: 1.639 local terms energy: -355.689263 where: bonds (distance) C4'-P energy: -115.335 bonds (distance) P-C4' energy: -116.728 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -43.551 tors. eta vs tors. theta energy: 16.991 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: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -508.744392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.744392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.744392 (E_RNA) where: Base-Base interactions energy: -180.823 where: short stacking energy: -151.326 Base-Backbone interact. energy: 2.172 local terms energy: -330.093801 where: bonds (distance) C4'-P energy: -89.566 bonds (distance) P-C4' energy: -106.722 flat angles C4'-P-C4' energy: -101.989 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: 18.492 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: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1457.993105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.993105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.993105 (E_RNA) where: Base-Base interactions energy: -815.132 where: short stacking energy: -493.385 Base-Backbone interact. energy: -1.332 local terms energy: -641.528419 where: bonds (distance) C4'-P energy: -145.535 bonds (distance) P-C4' energy: -139.575 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -93.435 tors. eta vs tors. theta energy: -115.274 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: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1336.206238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.206238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.206238 (E_RNA) where: Base-Base interactions energy: -760.719 where: short stacking energy: -460.705 Base-Backbone interact. energy: 1.057 local terms energy: -576.544484 where: bonds (distance) C4'-P energy: -135.391 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -144.331 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -97.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1209.569630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.569630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.569630 (E_RNA) where: Base-Base interactions energy: -646.277 where: short stacking energy: -385.656 Base-Backbone interact. energy: -0.343 local terms energy: -562.948819 where: bonds (distance) C4'-P energy: -128.295 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -144.871 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -79.837 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: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1133.737640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.737640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.737640 (E_RNA) where: Base-Base interactions energy: -643.512 where: short stacking energy: -359.350 Base-Backbone interact. energy: -1.330 local terms energy: -488.895756 where: bonds (distance) C4'-P energy: -97.794 bonds (distance) P-C4' energy: -136.451 flat angles C4'-P-C4' energy: -118.774 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -53.266 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1154.518004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.518004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.518004 (E_RNA) where: Base-Base interactions energy: -653.692 where: short stacking energy: -360.889 Base-Backbone interact. energy: -0.334 local terms energy: -500.491679 where: bonds (distance) C4'-P energy: -108.902 bonds (distance) P-C4' energy: -137.306 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -86.147 tors. eta vs tors. theta energy: -51.958 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: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1096.078369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.078369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.078369 (E_RNA) where: Base-Base interactions energy: -612.995 where: short stacking energy: -334.038 Base-Backbone interact. energy: -1.189 local terms energy: -481.894538 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -131.355 flat angles C4'-P-C4' energy: -115.769 flat angles P-C4'-P energy: -69.005 tors. eta vs tors. theta energy: -56.517 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: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -789.080942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.080942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.080942 (E_RNA) where: Base-Base interactions energy: -342.119 where: short stacking energy: -240.668 Base-Backbone interact. energy: -0.738 local terms energy: -446.224227 where: bonds (distance) C4'-P energy: -115.507 bonds (distance) P-C4' energy: -124.508 flat angles C4'-P-C4' energy: -101.572 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: -44.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -775.811668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.811668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.811668 (E_RNA) where: Base-Base interactions energy: -357.328 where: short stacking energy: -232.684 Base-Backbone interact. energy: -2.103 local terms energy: -416.380691 where: bonds (distance) C4'-P energy: -118.705 bonds (distance) P-C4' energy: -108.897 flat angles C4'-P-C4' energy: -94.355 flat angles P-C4'-P energy: -74.913 tors. eta vs tors. theta energy: -19.510 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: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -691.131275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.131275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.131275 (E_RNA) where: Base-Base interactions energy: -298.037 where: short stacking energy: -203.743 Base-Backbone interact. energy: -0.537 local terms energy: -392.557192 where: bonds (distance) C4'-P energy: -111.259 bonds (distance) P-C4' energy: -118.688 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -50.943 tors. eta vs tors. theta energy: -5.595 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: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -544.010951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.010951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.010951 (E_RNA) where: Base-Base interactions energy: -187.158 where: short stacking energy: -165.424 Base-Backbone interact. energy: -1.414 local terms energy: -355.438655 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -113.490 flat angles C4'-P-C4' energy: -97.670 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: 14.327 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1488.965880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.965880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.965880 (E_RNA) where: Base-Base interactions energy: -854.985 where: short stacking energy: -497.204 Base-Backbone interact. energy: -4.991 local terms energy: -628.989441 where: bonds (distance) C4'-P energy: -128.168 bonds (distance) P-C4' energy: -134.795 flat angles C4'-P-C4' energy: -143.115 flat angles P-C4'-P energy: -89.129 tors. eta vs tors. theta energy: -133.783 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: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1380.478114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.478114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.478114 (E_RNA) where: Base-Base interactions energy: -763.073 where: short stacking energy: -464.761 Base-Backbone interact. energy: -1.800 local terms energy: -615.604920 where: bonds (distance) C4'-P energy: -128.197 bonds (distance) P-C4' energy: -148.049 flat angles C4'-P-C4' energy: -130.623 flat angles P-C4'-P energy: -83.297 tors. eta vs tors. theta energy: -125.438 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: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1314.487031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.487031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.487031 (E_RNA) where: Base-Base interactions energy: -757.558 where: short stacking energy: -448.920 Base-Backbone interact. energy: -1.707 local terms energy: -555.221917 where: bonds (distance) C4'-P energy: -99.089 bonds (distance) P-C4' energy: -125.979 flat angles C4'-P-C4' energy: -140.507 flat angles P-C4'-P energy: -84.654 tors. eta vs tors. theta energy: -104.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1195.827984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.827984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.827984 (E_RNA) where: Base-Base interactions energy: -645.513 where: short stacking energy: -408.950 Base-Backbone interact. energy: -0.514 local terms energy: -549.800318 where: bonds (distance) C4'-P energy: -116.374 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -129.125 flat angles P-C4'-P energy: -82.423 tors. eta vs tors. theta energy: -80.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1224.670676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.670676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.670676 (E_RNA) where: Base-Base interactions energy: -717.768 where: short stacking energy: -373.581 Base-Backbone interact. energy: -1.106 local terms energy: -505.795912 where: bonds (distance) C4'-P energy: -98.934 bonds (distance) P-C4' energy: -125.664 flat angles C4'-P-C4' energy: -123.805 flat angles P-C4'-P energy: -67.836 tors. eta vs tors. theta energy: -89.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1121.426639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.426639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.426639 (E_RNA) where: Base-Base interactions energy: -667.218 where: short stacking energy: -361.603 Base-Backbone interact. energy: 6.187 local terms energy: -460.395305 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -122.106 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -63.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -779.078130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.078130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.078130 (E_RNA) where: Base-Base interactions energy: -372.121 where: short stacking energy: -245.539 Base-Backbone interact. energy: 2.143 local terms energy: -409.099814 where: bonds (distance) C4'-P energy: -103.759 bonds (distance) P-C4' energy: -112.310 flat angles C4'-P-C4' energy: -104.521 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: -20.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -740.091585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.091585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.091585 (E_RNA) where: Base-Base interactions energy: -334.989 where: short stacking energy: -227.065 Base-Backbone interact. energy: -0.635 local terms energy: -404.468318 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -129.420 flat angles C4'-P-C4' energy: -102.014 flat angles P-C4'-P energy: -51.437 tors. eta vs tors. theta energy: -16.611 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -667.583315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.583315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.583315 (E_RNA) where: Base-Base interactions energy: -315.325 where: short stacking energy: -186.183 Base-Backbone interact. energy: 2.058 local terms energy: -354.316843 where: bonds (distance) C4'-P energy: -92.809 bonds (distance) P-C4' energy: -128.770 flat angles C4'-P-C4' energy: -97.448 flat angles P-C4'-P energy: -52.960 tors. eta vs tors. theta energy: 17.671 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: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -523.150281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.150281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.150281 (E_RNA) where: Base-Base interactions energy: -203.590 where: short stacking energy: -177.933 Base-Backbone interact. energy: 4.427 local terms energy: -323.986776 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -115.558 flat angles C4'-P-C4' energy: -86.432 flat angles P-C4'-P energy: -59.777 tors. eta vs tors. theta energy: 19.966 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1540.647559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.647559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.647559 (E_RNA) where: Base-Base interactions energy: -910.176 where: short stacking energy: -527.003 Base-Backbone interact. energy: -3.993 local terms energy: -626.478725 where: bonds (distance) C4'-P energy: -128.489 bonds (distance) P-C4' energy: -136.235 flat angles C4'-P-C4' energy: -139.826 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -134.292 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: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1427.325879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.325879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.325879 (E_RNA) where: Base-Base interactions energy: -852.791 where: short stacking energy: -450.761 Base-Backbone interact. energy: -3.074 local terms energy: -571.461192 where: bonds (distance) C4'-P energy: -119.301 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -135.602 flat angles P-C4'-P energy: -86.446 tors. eta vs tors. theta energy: -107.453 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1315.938760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.938760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.938760 (E_RNA) where: Base-Base interactions energy: -752.394 where: short stacking energy: -443.925 Base-Backbone interact. energy: -0.166 local terms energy: -563.378439 where: bonds (distance) C4'-P energy: -124.423 bonds (distance) P-C4' energy: -137.695 flat angles C4'-P-C4' energy: -134.573 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -87.823 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1390.329215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.329215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.329215 (E_RNA) where: Base-Base interactions energy: -844.458 where: short stacking energy: -431.482 Base-Backbone interact. energy: -3.560 local terms energy: -542.310371 where: bonds (distance) C4'-P energy: -114.074 bonds (distance) P-C4' energy: -126.456 flat angles C4'-P-C4' energy: -126.822 flat angles P-C4'-P energy: -81.319 tors. eta vs tors. theta energy: -93.638 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1113.251996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.251996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.251996 (E_RNA) where: Base-Base interactions energy: -596.132 where: short stacking energy: -385.528 Base-Backbone interact. energy: -1.384 local terms energy: -515.735126 where: bonds (distance) C4'-P energy: -124.707 bonds (distance) P-C4' energy: -113.438 flat angles C4'-P-C4' energy: -122.635 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -82.419 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: 11 Temperature: 1.150000 Total energy: -1193.981639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.981639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.981639 (E_RNA) where: Base-Base interactions energy: -703.479 where: short stacking energy: -369.509 Base-Backbone interact. energy: -3.796 local terms energy: -486.707132 where: bonds (distance) C4'-P energy: -103.571 bonds (distance) P-C4' energy: -122.821 flat angles C4'-P-C4' energy: -119.545 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -79.580 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -797.986130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.986130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.986130 (E_RNA) where: Base-Base interactions energy: -387.627 where: short stacking energy: -236.988 Base-Backbone interact. energy: -3.707 local terms energy: -406.652027 where: bonds (distance) C4'-P energy: -108.364 bonds (distance) P-C4' energy: -114.634 flat angles C4'-P-C4' energy: -111.793 flat angles P-C4'-P energy: -52.206 tors. eta vs tors. theta energy: -19.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -779.612858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.612858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.612858 (E_RNA) where: Base-Base interactions energy: -415.012 where: short stacking energy: -232.936 Base-Backbone interact. energy: 2.671 local terms energy: -367.272087 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -113.453 flat angles C4'-P-C4' energy: -95.107 flat angles P-C4'-P energy: -49.285 tors. eta vs tors. theta energy: -5.732 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: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -644.121389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.121389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.121389 (E_RNA) where: Base-Base interactions energy: -297.517 where: short stacking energy: -213.736 Base-Backbone interact. energy: 13.815 local terms energy: -360.419411 where: bonds (distance) C4'-P energy: -88.925 bonds (distance) P-C4' energy: -109.699 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: 1.237 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: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -507.494085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.494085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.494085 (E_RNA) where: Base-Base interactions energy: -152.584 where: short stacking energy: -137.718 Base-Backbone interact. energy: -1.794 local terms energy: -353.115951 where: bonds (distance) C4'-P energy: -96.817 bonds (distance) P-C4' energy: -115.092 flat angles C4'-P-C4' energy: -106.436 flat angles P-C4'-P energy: -60.122 tors. eta vs tors. theta energy: 25.351 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: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1550.888637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.888637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.888637 (E_RNA) where: Base-Base interactions energy: -910.099 where: short stacking energy: -527.249 Base-Backbone interact. energy: -0.177 local terms energy: -640.612584 where: bonds (distance) C4'-P energy: -150.060 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -144.737 flat angles P-C4'-P energy: -85.274 tors. eta vs tors. theta energy: -127.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1429.890486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.890486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.890486 (E_RNA) where: Base-Base interactions energy: -857.453 where: short stacking energy: -463.164 Base-Backbone interact. energy: -2.017 local terms energy: -570.420600 where: bonds (distance) C4'-P energy: -123.394 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -141.014 flat angles P-C4'-P energy: -77.117 tors. eta vs tors. theta energy: -99.368 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: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1484.696695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.696695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.696695 (E_RNA) where: Base-Base interactions energy: -940.403 where: short stacking energy: -465.530 Base-Backbone interact. energy: -0.202 local terms energy: -544.091343 where: bonds (distance) C4'-P energy: -128.460 bonds (distance) P-C4' energy: -119.189 flat angles C4'-P-C4' energy: -125.117 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -111.595 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: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1279.249638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.249638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.249638 (E_RNA) where: Base-Base interactions energy: -747.514 where: short stacking energy: -412.250 Base-Backbone interact. energy: -0.806 local terms energy: -530.929197 where: bonds (distance) C4'-P energy: -117.600 bonds (distance) P-C4' energy: -132.225 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -72.917 tors. eta vs tors. theta energy: -85.807 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: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1361.861100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.861100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.861100 (E_RNA) where: Base-Base interactions energy: -804.575 where: short stacking energy: -410.230 Base-Backbone interact. energy: -2.843 local terms energy: -554.443869 where: bonds (distance) C4'-P energy: -117.321 bonds (distance) P-C4' energy: -118.496 flat angles C4'-P-C4' energy: -142.500 flat angles P-C4'-P energy: -87.331 tors. eta vs tors. theta energy: -88.795 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -939.946265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.946265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.946265 (E_RNA) where: Base-Base interactions energy: -478.067 where: short stacking energy: -262.404 Base-Backbone interact. energy: 1.407 local terms energy: -463.286025 where: bonds (distance) C4'-P energy: -118.130 bonds (distance) P-C4' energy: -139.132 flat angles C4'-P-C4' energy: -97.011 flat angles P-C4'-P energy: -76.412 tors. eta vs tors. theta energy: -32.601 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: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -818.166754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.166754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.166754 (E_RNA) where: Base-Base interactions energy: -381.097 where: short stacking energy: -237.054 Base-Backbone interact. energy: 2.494 local terms energy: -439.563937 where: bonds (distance) C4'-P energy: -112.882 bonds (distance) P-C4' energy: -122.744 flat angles C4'-P-C4' energy: -99.061 flat angles P-C4'-P energy: -84.705 tors. eta vs tors. theta energy: -20.172 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -721.835126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.835126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.835126 (E_RNA) where: Base-Base interactions energy: -345.247 where: short stacking energy: -195.273 Base-Backbone interact. energy: 2.354 local terms energy: -378.941843 where: bonds (distance) C4'-P energy: -106.380 bonds (distance) P-C4' energy: -115.840 flat angles C4'-P-C4' energy: -100.227 flat angles P-C4'-P energy: -56.378 tors. eta vs tors. theta energy: -0.116 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: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -643.062842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.062842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.062842 (E_RNA) where: Base-Base interactions energy: -295.522 where: short stacking energy: -202.910 Base-Backbone interact. energy: 6.543 local terms energy: -354.083557 where: bonds (distance) C4'-P energy: -122.129 bonds (distance) P-C4' energy: -114.710 flat angles C4'-P-C4' energy: -85.835 flat angles P-C4'-P energy: -50.103 tors. eta vs tors. theta energy: 18.694 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: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -502.077441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.077441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.077441 (E_RNA) where: Base-Base interactions energy: -194.096 where: short stacking energy: -123.759 Base-Backbone interact. energy: 0.856 local terms energy: -308.836941 where: bonds (distance) C4'-P energy: -107.857 bonds (distance) P-C4' energy: -119.933 flat angles C4'-P-C4' energy: -83.418 flat angles P-C4'-P energy: -36.155 tors. eta vs tors. theta energy: 38.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1562.065116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.065116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.065116 (E_RNA) where: Base-Base interactions energy: -903.560 where: short stacking energy: -516.347 Base-Backbone interact. energy: -1.520 local terms energy: -656.985083 where: bonds (distance) C4'-P energy: -155.480 bonds (distance) P-C4' energy: -137.202 flat angles C4'-P-C4' energy: -135.685 flat angles P-C4'-P energy: -89.525 tors. eta vs tors. theta energy: -139.093 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: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1603.856825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.856825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.856825 (E_RNA) where: Base-Base interactions energy: -968.662 where: short stacking energy: -500.754 Base-Backbone interact. energy: -1.244 local terms energy: -633.951452 where: bonds (distance) C4'-P energy: -137.100 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -96.836 tors. eta vs tors. theta energy: -130.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1401.232995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.232995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.232995 (E_RNA) where: Base-Base interactions energy: -803.925 where: short stacking energy: -424.198 Base-Backbone interact. energy: 0.848 local terms energy: -598.156436 where: bonds (distance) C4'-P energy: -132.006 bonds (distance) P-C4' energy: -122.851 flat angles C4'-P-C4' energy: -149.213 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -103.117 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: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1424.501523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.501523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.501523 (E_RNA) where: Base-Base interactions energy: -861.669 where: short stacking energy: -447.602 Base-Backbone interact. energy: -1.236 local terms energy: -561.596743 where: bonds (distance) C4'-P energy: -125.236 bonds (distance) P-C4' energy: -122.362 flat angles C4'-P-C4' energy: -133.597 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -103.824 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: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1195.826383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.826383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.826383 (E_RNA) where: Base-Base interactions energy: -694.112 where: short stacking energy: -395.307 Base-Backbone interact. energy: -4.113 local terms energy: -497.601821 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -121.009 flat angles P-C4'-P energy: -68.922 tors. eta vs tors. theta energy: -67.288 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: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -942.284495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.284495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.284495 (E_RNA) where: Base-Base interactions energy: -475.382 where: short stacking energy: -275.934 Base-Backbone interact. energy: -3.717 local terms energy: -463.185264 where: bonds (distance) C4'-P energy: -111.527 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -127.333 flat angles P-C4'-P energy: -76.841 tors. eta vs tors. theta energy: -18.399 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: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -866.591607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.591607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.591607 (E_RNA) where: Base-Base interactions energy: -428.987 where: short stacking energy: -257.025 Base-Backbone interact. energy: -4.477 local terms energy: -433.127520 where: bonds (distance) C4'-P energy: -108.874 bonds (distance) P-C4' energy: -127.481 flat angles C4'-P-C4' energy: -108.616 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -18.951 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: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -798.085289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.085289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.085289 (E_RNA) where: Base-Base interactions energy: -407.471 where: short stacking energy: -215.572 Base-Backbone interact. energy: -0.612 local terms energy: -390.001316 where: bonds (distance) C4'-P energy: -109.940 bonds (distance) P-C4' energy: -111.333 flat angles C4'-P-C4' energy: -98.604 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -10.635 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: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -665.043690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.043690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.043690 (E_RNA) where: Base-Base interactions energy: -290.308 where: short stacking energy: -188.868 Base-Backbone interact. energy: -1.271 local terms energy: -373.464353 where: bonds (distance) C4'-P energy: -112.735 bonds (distance) P-C4' energy: -123.883 flat angles C4'-P-C4' energy: -82.287 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: 5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -516.470182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.470182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.470182 (E_RNA) where: Base-Base interactions energy: -187.085 where: short stacking energy: -132.376 Base-Backbone interact. energy: -3.812 local terms energy: -325.572415 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -101.116 flat angles C4'-P-C4' energy: -99.998 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: 23.668 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: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1531.916046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.916046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.916046 (E_RNA) where: Base-Base interactions energy: -894.800 where: short stacking energy: -522.913 Base-Backbone interact. energy: 1.764 local terms energy: -638.880579 where: bonds (distance) C4'-P energy: -126.860 bonds (distance) P-C4' energy: -141.391 flat angles C4'-P-C4' energy: -133.331 flat angles P-C4'-P energy: -104.535 tors. eta vs tors. theta energy: -132.764 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: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1616.517964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.517964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.517964 (E_RNA) where: Base-Base interactions energy: -993.627 where: short stacking energy: -528.463 Base-Backbone interact. energy: -1.288 local terms energy: -621.603292 where: bonds (distance) C4'-P energy: -131.306 bonds (distance) P-C4' energy: -127.149 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -136.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1487.024853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.024853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.024853 (E_RNA) where: Base-Base interactions energy: -887.984 where: short stacking energy: -445.861 Base-Backbone interact. energy: 2.165 local terms energy: -601.205263 where: bonds (distance) C4'-P energy: -122.634 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -128.252 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -123.070 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: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1253.308740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.308740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.308740 (E_RNA) where: Base-Base interactions energy: -718.474 where: short stacking energy: -383.926 Base-Backbone interact. energy: 2.431 local terms energy: -537.266221 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -137.635 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -85.918 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: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1271.685350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.685350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.685350 (E_RNA) where: Base-Base interactions energy: -751.520 where: short stacking energy: -427.633 Base-Backbone interact. energy: -0.338 local terms energy: -519.827049 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -118.094 flat angles C4'-P-C4' energy: -129.215 flat angles P-C4'-P energy: -60.030 tors. eta vs tors. theta energy: -100.245 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: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -907.087020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.087020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.087020 (E_RNA) where: Base-Base interactions energy: -430.964 where: short stacking energy: -286.400 Base-Backbone interact. energy: -0.143 local terms energy: -475.979458 where: bonds (distance) C4'-P energy: -120.277 bonds (distance) P-C4' energy: -111.414 flat angles C4'-P-C4' energy: -124.897 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -40.642 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: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -931.064723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.064723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.064723 (E_RNA) where: Base-Base interactions energy: -525.062 where: short stacking energy: -301.563 Base-Backbone interact. energy: 2.241 local terms energy: -408.242959 where: bonds (distance) C4'-P energy: -103.134 bonds (distance) P-C4' energy: -106.653 flat angles C4'-P-C4' energy: -90.223 flat angles P-C4'-P energy: -66.800 tors. eta vs tors. theta energy: -41.433 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: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -844.428876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.428876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.428876 (E_RNA) where: Base-Base interactions energy: -451.337 where: short stacking energy: -256.692 Base-Backbone interact. energy: -3.658 local terms energy: -389.433533 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -119.983 flat angles C4'-P-C4' energy: -90.056 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -9.025 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: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -665.317892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.317892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.317892 (E_RNA) where: Base-Base interactions energy: -288.760 where: short stacking energy: -190.772 Base-Backbone interact. energy: 2.214 local terms energy: -378.772176 where: bonds (distance) C4'-P energy: -103.576 bonds (distance) P-C4' energy: -116.185 flat angles C4'-P-C4' energy: -92.131 flat angles P-C4'-P energy: -69.848 tors. eta vs tors. theta energy: 2.968 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -536.172412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.172412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.172412 (E_RNA) where: Base-Base interactions energy: -193.721 where: short stacking energy: -159.551 Base-Backbone interact. energy: 1.473 local terms energy: -343.924714 where: bonds (distance) C4'-P energy: -106.682 bonds (distance) P-C4' energy: -105.961 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -53.725 tors. eta vs tors. theta energy: 17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1532.658697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.658697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.658697 (E_RNA) where: Base-Base interactions energy: -886.658 where: short stacking energy: -516.878 Base-Backbone interact. energy: -2.420 local terms energy: -643.580755 where: bonds (distance) C4'-P energy: -128.576 bonds (distance) P-C4' energy: -152.719 flat angles C4'-P-C4' energy: -142.527 flat angles P-C4'-P energy: -94.047 tors. eta vs tors. theta energy: -125.712 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: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1657.377221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.377221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.377221 (E_RNA) where: Base-Base interactions energy: -1020.598 where: short stacking energy: -542.643 Base-Backbone interact. energy: 3.373 local terms energy: -640.152177 where: bonds (distance) C4'-P energy: -133.456 bonds (distance) P-C4' energy: -137.207 flat angles C4'-P-C4' energy: -133.255 flat angles P-C4'-P energy: -88.533 tors. eta vs tors. theta energy: -147.701 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: 3, replica: 8 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1480.555131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.555131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.555131 (E_RNA) where: Base-Base interactions energy: -896.889 where: short stacking energy: -474.891 Base-Backbone interact. energy: -1.862 local terms energy: -581.804064 where: bonds (distance) C4'-P energy: -115.727 bonds (distance) P-C4' energy: -128.418 flat angles C4'-P-C4' energy: -142.754 flat angles P-C4'-P energy: -84.551 tors. eta vs tors. theta energy: -110.354 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: 1 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1298.161062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.161062 (E_RNA) where: Base-Base interactions energy: -786.425 where: short stacking energy: -431.887 Base-Backbone interact. energy: -1.900 local terms energy: -509.836240 where: bonds (distance) C4'-P energy: -118.582 bonds (distance) P-C4' energy: -121.518 flat angles C4'-P-C4' energy: -113.358 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -86.359 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: 3 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1218.617554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.617554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.617554 (E_RNA) where: Base-Base interactions energy: -694.302 where: short stacking energy: -381.363 Base-Backbone interact. energy: -1.350 local terms energy: -522.965252 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -129.206 flat angles C4'-P-C4' energy: -140.409 flat angles P-C4'-P energy: -70.233 tors. eta vs tors. theta energy: -73.963 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: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -972.674436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.674436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.674436 (E_RNA) where: Base-Base interactions energy: -490.917 where: short stacking energy: -311.013 Base-Backbone interact. energy: -0.619 local terms energy: -481.138793 where: bonds (distance) C4'-P energy: -136.123 bonds (distance) P-C4' energy: -118.493 flat angles C4'-P-C4' energy: -108.274 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -49.849 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: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -998.379559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.379559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.379559 (E_RNA) where: Base-Base interactions energy: -544.166 where: short stacking energy: -301.388 Base-Backbone interact. energy: -3.733 local terms energy: -450.480259 where: bonds (distance) C4'-P energy: -121.863 bonds (distance) P-C4' energy: -124.600 flat angles C4'-P-C4' energy: -107.095 flat angles P-C4'-P energy: -58.149 tors. eta vs tors. theta energy: -38.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -785.039431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.039431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.039431 (E_RNA) where: Base-Base interactions energy: -389.282 where: short stacking energy: -229.602 Base-Backbone interact. energy: 1.003 local terms energy: -396.760912 where: bonds (distance) C4'-P energy: -98.204 bonds (distance) P-C4' energy: -124.194 flat angles C4'-P-C4' energy: -99.483 flat angles P-C4'-P energy: -60.210 tors. eta vs tors. theta energy: -14.670 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: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -640.348049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.348049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.348049 (E_RNA) where: Base-Base interactions energy: -292.882 where: short stacking energy: -204.555 Base-Backbone interact. energy: -3.174 local terms energy: -344.292500 where: bonds (distance) C4'-P energy: -94.239 bonds (distance) P-C4' energy: -95.323 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -532.990820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.990820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.990820 (E_RNA) where: Base-Base interactions energy: -209.999 where: short stacking energy: -160.356 Base-Backbone interact. energy: -0.175 local terms energy: -322.817362 where: bonds (distance) C4'-P energy: -118.924 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -79.095 flat angles P-C4'-P energy: -27.866 tors. eta vs tors. theta energy: 32.603 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: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1760.542657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.542657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.542657 (E_RNA) where: Base-Base interactions energy: -1090.511 where: short stacking energy: -580.610 Base-Backbone interact. energy: -0.799 local terms energy: -669.232228 where: bonds (distance) C4'-P energy: -134.528 bonds (distance) P-C4' energy: -132.838 flat angles C4'-P-C4' energy: -156.208 flat angles P-C4'-P energy: -84.826 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: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1492.483591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.483591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.483591 (E_RNA) where: Base-Base interactions energy: -853.325 where: short stacking energy: -502.152 Base-Backbone interact. energy: 0.781 local terms energy: -639.939218 where: bonds (distance) C4'-P energy: -119.844 bonds (distance) P-C4' energy: -134.513 flat angles C4'-P-C4' energy: -147.799 flat angles P-C4'-P energy: -100.935 tors. eta vs tors. theta energy: -136.848 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: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1550.297122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.297122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.297122 (E_RNA) where: Base-Base interactions energy: -960.660 where: short stacking energy: -469.886 Base-Backbone interact. energy: -3.065 local terms energy: -586.572249 where: bonds (distance) C4'-P energy: -119.524 bonds (distance) P-C4' energy: -138.596 flat angles C4'-P-C4' energy: -144.553 flat angles P-C4'-P energy: -84.165 tors. eta vs tors. theta energy: -99.733 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: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1368.704464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.704464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.704464 (E_RNA) where: Base-Base interactions energy: -817.425 where: short stacking energy: -414.863 Base-Backbone interact. energy: -2.899 local terms energy: -548.381102 where: bonds (distance) C4'-P energy: -120.325 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -130.231 flat angles P-C4'-P energy: -87.563 tors. eta vs tors. theta energy: -84.280 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: 3 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1172.453923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.453923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.453923 (E_RNA) where: Base-Base interactions energy: -669.716 where: short stacking energy: -386.194 Base-Backbone interact. energy: -3.148 local terms energy: -499.589695 where: bonds (distance) C4'-P energy: -104.377 bonds (distance) P-C4' energy: -123.574 flat angles C4'-P-C4' energy: -126.307 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: -73.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1016.124991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.124991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.124991 (E_RNA) where: Base-Base interactions energy: -536.969 where: short stacking energy: -329.418 Base-Backbone interact. energy: 2.622 local terms energy: -481.778268 where: bonds (distance) C4'-P energy: -115.853 bonds (distance) P-C4' energy: -119.344 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -64.903 tors. eta vs tors. theta energy: -51.843 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: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1086.064689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.064689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.064689 (E_RNA) where: Base-Base interactions energy: -611.041 where: short stacking energy: -341.060 Base-Backbone interact. energy: -1.565 local terms energy: -473.458071 where: bonds (distance) C4'-P energy: -109.056 bonds (distance) P-C4' energy: -113.346 flat angles C4'-P-C4' energy: -127.178 flat angles P-C4'-P energy: -58.771 tors. eta vs tors. theta energy: -65.107 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: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -751.146588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.146588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.146588 (E_RNA) where: Base-Base interactions energy: -342.054 where: short stacking energy: -229.601 Base-Backbone interact. energy: -1.524 local terms energy: -407.568541 where: bonds (distance) C4'-P energy: -104.324 bonds (distance) P-C4' energy: -136.440 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: 0.385 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: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -677.260388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.260388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.260388 (E_RNA) where: Base-Base interactions energy: -285.573 where: short stacking energy: -175.440 Base-Backbone interact. energy: -2.798 local terms energy: -388.888850 where: bonds (distance) C4'-P energy: -101.061 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -101.019 flat angles P-C4'-P energy: -56.382 tors. eta vs tors. theta energy: -8.325 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: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -592.309679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.309679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.309679 (E_RNA) where: Base-Base interactions energy: -224.284 where: short stacking energy: -170.187 Base-Backbone interact. energy: 1.183 local terms energy: -369.208288 where: bonds (distance) C4'-P energy: -118.032 bonds (distance) P-C4' energy: -115.701 flat angles C4'-P-C4' energy: -93.443 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: 11.940 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: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1794.382221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.382221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.382221 (E_RNA) where: Base-Base interactions energy: -1121.658 where: short stacking energy: -600.113 Base-Backbone interact. energy: -1.361 local terms energy: -671.363462 where: bonds (distance) C4'-P energy: -116.297 bonds (distance) P-C4' energy: -135.936 flat angles C4'-P-C4' energy: -153.433 flat angles P-C4'-P energy: -95.755 tors. eta vs tors. theta energy: -169.941 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: 2, replica: 8 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1654.504121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.504121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.504121 (E_RNA) where: Base-Base interactions energy: -1050.447 where: short stacking energy: -517.229 Base-Backbone interact. energy: -0.054 local terms energy: -604.003231 where: bonds (distance) C4'-P energy: -129.237 bonds (distance) P-C4' energy: -147.645 flat angles C4'-P-C4' energy: -111.982 flat angles P-C4'-P energy: -81.041 tors. eta vs tors. theta energy: -134.098 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: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1420.669799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.669799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.669799 (E_RNA) where: Base-Base interactions energy: -818.756 where: short stacking energy: -467.303 Base-Backbone interact. energy: -1.891 local terms energy: -600.023517 where: bonds (distance) C4'-P energy: -128.275 bonds (distance) P-C4' energy: -128.409 flat angles C4'-P-C4' energy: -130.738 flat angles P-C4'-P energy: -78.072 tors. eta vs tors. theta energy: -134.529 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: 1 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1442.382164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.382164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.382164 (E_RNA) where: Base-Base interactions energy: -893.167 where: short stacking energy: -462.844 Base-Backbone interact. energy: -0.112 local terms energy: -549.102981 where: bonds (distance) C4'-P energy: -107.900 bonds (distance) P-C4' energy: -130.792 flat angles C4'-P-C4' energy: -133.790 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: -110.062 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1146.478557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.478557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.478557 (E_RNA) where: Base-Base interactions energy: -658.786 where: short stacking energy: -340.789 Base-Backbone interact. energy: -4.139 local terms energy: -483.553419 where: bonds (distance) C4'-P energy: -112.018 bonds (distance) P-C4' energy: -107.414 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -52.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1172.671933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.671933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.671933 (E_RNA) where: Base-Base interactions energy: -693.768 where: short stacking energy: -370.705 Base-Backbone interact. energy: -2.310 local terms energy: -476.594804 where: bonds (distance) C4'-P energy: -122.424 bonds (distance) P-C4' energy: -108.747 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -65.821 tors. eta vs tors. theta energy: -73.212 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: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -903.591438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.591438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.591438 (E_RNA) where: Base-Base interactions energy: -462.763 where: short stacking energy: -277.299 Base-Backbone interact. energy: 1.232 local terms energy: -442.059919 where: bonds (distance) C4'-P energy: -116.391 bonds (distance) P-C4' energy: -138.783 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -65.846 tors. eta vs tors. theta energy: -20.327 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: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -730.929320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.929320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.929320 (E_RNA) where: Base-Base interactions energy: -328.194 where: short stacking energy: -223.397 Base-Backbone interact. energy: 2.089 local terms energy: -404.824440 where: bonds (distance) C4'-P energy: -105.620 bonds (distance) P-C4' energy: -128.953 flat angles C4'-P-C4' energy: -111.310 flat angles P-C4'-P energy: -61.321 tors. eta vs tors. theta energy: 2.379 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -724.091664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.091664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.091664 (E_RNA) where: Base-Base interactions energy: -337.649 where: short stacking energy: -207.383 Base-Backbone interact. energy: -2.049 local terms energy: -384.393391 where: bonds (distance) C4'-P energy: -120.836 bonds (distance) P-C4' energy: -114.628 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: 2.798 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: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -536.948627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.948627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.948627 (E_RNA) where: Base-Base interactions energy: -206.451 where: short stacking energy: -148.133 Base-Backbone interact. energy: 1.787 local terms energy: -332.284743 where: bonds (distance) C4'-P energy: -97.124 bonds (distance) P-C4' energy: -108.062 flat angles C4'-P-C4' energy: -98.473 flat angles P-C4'-P energy: -61.325 tors. eta vs tors. theta energy: 32.700 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: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1806.319882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.319882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.319882 (E_RNA) where: Base-Base interactions energy: -1119.214 where: short stacking energy: -602.287 Base-Backbone interact. energy: -3.334 local terms energy: -683.771990 where: bonds (distance) C4'-P energy: -151.325 bonds (distance) P-C4' energy: -133.349 flat angles C4'-P-C4' energy: -148.935 flat angles P-C4'-P energy: -84.031 tors. eta vs tors. theta energy: -166.132 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: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1646.749619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.749619 (E_RNA) where: Base-Base interactions energy: -1010.724 where: short stacking energy: -529.644 Base-Backbone interact. energy: -1.847 local terms energy: -634.179225 where: bonds (distance) C4'-P energy: -137.757 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -132.291 flat angles P-C4'-P energy: -93.380 tors. eta vs tors. theta energy: -141.492 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: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1571.277019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.277019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.277019 (E_RNA) where: Base-Base interactions energy: -1017.041 where: short stacking energy: -475.193 Base-Backbone interact. energy: -1.864 local terms energy: -552.371191 where: bonds (distance) C4'-P energy: -112.738 bonds (distance) P-C4' energy: -125.618 flat angles C4'-P-C4' energy: -131.466 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -108.976 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: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1335.948923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.948923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.948923 (E_RNA) where: Base-Base interactions energy: -769.097 where: short stacking energy: -457.081 Base-Backbone interact. energy: -3.053 local terms energy: -563.799162 where: bonds (distance) C4'-P energy: -134.056 bonds (distance) P-C4' energy: -109.128 flat angles C4'-P-C4' energy: -124.557 flat angles P-C4'-P energy: -85.827 tors. eta vs tors. theta energy: -110.232 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: 5, replica: 3 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1184.071077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.071077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.071077 (E_RNA) where: Base-Base interactions energy: -677.907 where: short stacking energy: -347.955 Base-Backbone interact. energy: -2.155 local terms energy: -504.009569 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -120.304 flat angles C4'-P-C4' energy: -127.246 flat angles P-C4'-P energy: -86.324 tors. eta vs tors. theta energy: -46.760 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: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1204.848589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.848589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.848589 (E_RNA) where: Base-Base interactions energy: -687.399 where: short stacking energy: -380.612 Base-Backbone interact. energy: -0.155 local terms energy: -517.294965 where: bonds (distance) C4'-P energy: -130.179 bonds (distance) P-C4' energy: -133.554 flat angles C4'-P-C4' energy: -116.024 flat angles P-C4'-P energy: -56.282 tors. eta vs tors. theta energy: -81.256 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: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -942.651107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.651107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.651107 (E_RNA) where: Base-Base interactions energy: -500.666 where: short stacking energy: -275.108 Base-Backbone interact. energy: -0.821 local terms energy: -441.163940 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -113.582 flat angles C4'-P-C4' energy: -101.242 flat angles P-C4'-P energy: -63.769 tors. eta vs tors. theta energy: -34.829 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: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -696.513381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.513381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.513381 (E_RNA) where: Base-Base interactions energy: -334.566 where: short stacking energy: -231.649 Base-Backbone interact. energy: 8.676 local terms energy: -370.624007 where: bonds (distance) C4'-P energy: -101.057 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -55.851 tors. eta vs tors. theta energy: -12.665 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: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -726.284103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.284103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.284103 (E_RNA) where: Base-Base interactions energy: -356.629 where: short stacking energy: -191.904 Base-Backbone interact. energy: -2.211 local terms energy: -367.444639 where: bonds (distance) C4'-P energy: -92.380 bonds (distance) P-C4' energy: -104.049 flat angles C4'-P-C4' energy: -106.054 flat angles P-C4'-P energy: -59.477 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: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -513.212300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.212300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.212300 (E_RNA) where: Base-Base interactions energy: -192.715 where: short stacking energy: -148.858 Base-Backbone interact. energy: 1.917 local terms energy: -322.413585 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -110.740 flat angles C4'-P-C4' energy: -100.943 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: 33.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1770.073204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.073204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.073204 (E_RNA) where: Base-Base interactions energy: -1116.373 where: short stacking energy: -582.421 Base-Backbone interact. energy: -1.029 local terms energy: -652.671150 where: bonds (distance) C4'-P energy: -128.041 bonds (distance) P-C4' energy: -130.138 flat angles C4'-P-C4' energy: -148.170 flat angles P-C4'-P energy: -96.247 tors. eta vs tors. theta energy: -150.075 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: 2, replica: 1 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1691.167253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.167253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.167253 (E_RNA) where: Base-Base interactions energy: -1086.334 where: short stacking energy: -525.285 Base-Backbone interact. energy: -1.390 local terms energy: -603.443397 where: bonds (distance) C4'-P energy: -112.828 bonds (distance) P-C4' energy: -127.201 flat angles C4'-P-C4' energy: -137.149 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -133.835 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: 3, replica: 8 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1586.834474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.834474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.834474 (E_RNA) where: Base-Base interactions energy: -975.152 where: short stacking energy: -482.297 Base-Backbone interact. energy: -3.414 local terms energy: -608.267683 where: bonds (distance) C4'-P energy: -121.965 bonds (distance) P-C4' energy: -130.028 flat angles C4'-P-C4' energy: -137.387 flat angles P-C4'-P energy: -98.393 tors. eta vs tors. theta energy: -120.494 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: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1295.247440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.247440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.247440 (E_RNA) where: Base-Base interactions energy: -773.886 where: short stacking energy: -415.279 Base-Backbone interact. energy: -2.287 local terms energy: -519.075310 where: bonds (distance) C4'-P energy: -108.265 bonds (distance) P-C4' energy: -128.857 flat angles C4'-P-C4' energy: -135.341 flat angles P-C4'-P energy: -76.167 tors. eta vs tors. theta energy: -70.445 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: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1174.708697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.708697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.708697 (E_RNA) where: Base-Base interactions energy: -656.366 where: short stacking energy: -390.474 Base-Backbone interact. energy: 0.937 local terms energy: -519.280162 where: bonds (distance) C4'-P energy: -115.624 bonds (distance) P-C4' energy: -114.760 flat angles C4'-P-C4' energy: -125.622 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: -91.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1164.051802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.051802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.051802 (E_RNA) where: Base-Base interactions energy: -704.399 where: short stacking energy: -358.332 Base-Backbone interact. energy: -1.516 local terms energy: -458.136853 where: bonds (distance) C4'-P energy: -107.357 bonds (distance) P-C4' energy: -94.881 flat angles C4'-P-C4' energy: -119.005 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -61.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1066.240730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.240730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.240730 (E_RNA) where: Base-Base interactions energy: -602.981 where: short stacking energy: -312.057 Base-Backbone interact. energy: -1.721 local terms energy: -461.538544 where: bonds (distance) C4'-P energy: -114.547 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -69.642 tors. eta vs tors. theta energy: -55.296 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: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -746.944630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.944630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.944630 (E_RNA) where: Base-Base interactions energy: -351.658 where: short stacking energy: -203.883 Base-Backbone interact. energy: -1.186 local terms energy: -394.099834 where: bonds (distance) C4'-P energy: -105.546 bonds (distance) P-C4' energy: -108.209 flat angles C4'-P-C4' energy: -100.626 flat angles P-C4'-P energy: -77.954 tors. eta vs tors. theta energy: -1.765 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: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -608.447730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.447730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.447730 (E_RNA) where: Base-Base interactions energy: -230.709 where: short stacking energy: -184.679 Base-Backbone interact. energy: -0.157 local terms energy: -377.581649 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -67.682 tors. eta vs tors. theta energy: 16.666 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: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -517.252771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.252771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.252771 (E_RNA) where: Base-Base interactions energy: -195.088 where: short stacking energy: -168.461 Base-Backbone interact. energy: 5.027 local terms energy: -327.192033 where: bonds (distance) C4'-P energy: -103.829 bonds (distance) P-C4' energy: -96.304 flat angles C4'-P-C4' energy: -89.539 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: 18.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1764.631065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.631065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.631065 (E_RNA) where: Base-Base interactions energy: -1122.752 where: short stacking energy: -557.483 Base-Backbone interact. energy: 4.160 local terms energy: -646.038672 where: bonds (distance) C4'-P energy: -128.929 bonds (distance) P-C4' energy: -142.076 flat angles C4'-P-C4' energy: -146.827 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -148.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1758.582586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.582586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.582586 (E_RNA) where: Base-Base interactions energy: -1110.951 where: short stacking energy: -537.267 Base-Backbone interact. energy: -2.423 local terms energy: -645.208157 where: bonds (distance) C4'-P energy: -138.043 bonds (distance) P-C4' energy: -129.383 flat angles C4'-P-C4' energy: -151.912 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -133.511 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: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1636.506789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.506789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.506789 (E_RNA) where: Base-Base interactions energy: -1048.337 where: short stacking energy: -489.146 Base-Backbone interact. energy: -0.757 local terms energy: -587.412968 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -125.654 flat angles C4'-P-C4' energy: -136.943 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -123.392 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: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1277.607223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.607223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.607223 (E_RNA) where: Base-Base interactions energy: -732.582 where: short stacking energy: -424.641 Base-Backbone interact. energy: -1.911 local terms energy: -543.114804 where: bonds (distance) C4'-P energy: -115.830 bonds (distance) P-C4' energy: -132.147 flat angles C4'-P-C4' energy: -122.441 flat angles P-C4'-P energy: -76.813 tors. eta vs tors. theta energy: -95.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1229.077059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.077059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.077059 (E_RNA) where: Base-Base interactions energy: -703.988 where: short stacking energy: -342.326 Base-Backbone interact. energy: -1.836 local terms energy: -523.252820 where: bonds (distance) C4'-P energy: -108.613 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -133.732 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -73.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1156.176140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.176140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.176140 (E_RNA) where: Base-Base interactions energy: -683.143 where: short stacking energy: -335.436 Base-Backbone interact. energy: -1.561 local terms energy: -471.472006 where: bonds (distance) C4'-P energy: -127.470 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -71.140 tors. eta vs tors. theta energy: -41.253 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: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1060.882099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.882099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.882099 (E_RNA) where: Base-Base interactions energy: -597.241 where: short stacking energy: -323.645 Base-Backbone interact. energy: 2.661 local terms energy: -466.302153 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -131.499 flat angles C4'-P-C4' energy: -118.018 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -40.913 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: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -720.863245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.863245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.863245 (E_RNA) where: Base-Base interactions energy: -332.585 where: short stacking energy: -218.718 Base-Backbone interact. energy: -2.040 local terms energy: -386.237487 where: bonds (distance) C4'-P energy: -106.481 bonds (distance) P-C4' energy: -125.321 flat angles C4'-P-C4' energy: -96.462 flat angles P-C4'-P energy: -67.778 tors. eta vs tors. theta energy: 9.805 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -560.615283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.615283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.615283 (E_RNA) where: Base-Base interactions energy: -186.316 where: short stacking energy: -164.090 Base-Backbone interact. energy: -0.472 local terms energy: -373.827516 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -129.909 flat angles C4'-P-C4' energy: -100.810 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: 20.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -568.086055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.086055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.086055 (E_RNA) where: Base-Base interactions energy: -221.133 where: short stacking energy: -177.709 Base-Backbone interact. energy: 6.227 local terms energy: -353.180786 where: bonds (distance) C4'-P energy: -100.738 bonds (distance) P-C4' energy: -112.986 flat angles C4'-P-C4' energy: -82.110 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -10.221 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: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1779.208038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.208038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.208038 (E_RNA) where: Base-Base interactions energy: -1101.814 where: short stacking energy: -539.994 Base-Backbone interact. energy: -0.684 local terms energy: -676.710164 where: bonds (distance) C4'-P energy: -132.966 bonds (distance) P-C4' energy: -143.240 flat angles C4'-P-C4' energy: -153.661 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -153.558 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: 1 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1715.107761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.107761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.107761 (E_RNA) where: Base-Base interactions energy: -1074.459 where: short stacking energy: -533.141 Base-Backbone interact. energy: -0.192 local terms energy: -640.456750 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -147.639 flat angles C4'-P-C4' energy: -149.273 flat angles P-C4'-P energy: -93.836 tors. eta vs tors. theta energy: -128.198 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: 3, replica: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1687.805243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.805243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.805243 (E_RNA) where: Base-Base interactions energy: -1100.402 where: short stacking energy: -497.009 Base-Backbone interact. energy: -5.053 local terms energy: -582.350235 where: bonds (distance) C4'-P energy: -122.790 bonds (distance) P-C4' energy: -134.242 flat angles C4'-P-C4' energy: -132.391 flat angles P-C4'-P energy: -67.569 tors. eta vs tors. theta energy: -125.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1276.450128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.450128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.450128 (E_RNA) where: Base-Base interactions energy: -718.057 where: short stacking energy: -384.308 Base-Backbone interact. energy: -1.824 local terms energy: -556.568851 where: bonds (distance) C4'-P energy: -122.451 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -117.641 flat angles P-C4'-P energy: -95.395 tors. eta vs tors. theta energy: -92.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1261.742202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.742202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.742202 (E_RNA) where: Base-Base interactions energy: -738.535 where: short stacking energy: -364.355 Base-Backbone interact. energy: -3.050 local terms energy: -520.156882 where: bonds (distance) C4'-P energy: -102.150 bonds (distance) P-C4' energy: -133.851 flat angles C4'-P-C4' energy: -133.678 flat angles P-C4'-P energy: -76.260 tors. eta vs tors. theta energy: -74.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1213.131130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.131130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.131130 (E_RNA) where: Base-Base interactions energy: -720.666 where: short stacking energy: -376.515 Base-Backbone interact. energy: 0.342 local terms energy: -492.806781 where: bonds (distance) C4'-P energy: -105.911 bonds (distance) P-C4' energy: -129.154 flat angles C4'-P-C4' energy: -108.701 flat angles P-C4'-P energy: -81.605 tors. eta vs tors. theta energy: -67.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1001.145334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.145334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.145334 (E_RNA) where: Base-Base interactions energy: -556.180 where: short stacking energy: -283.781 Base-Backbone interact. energy: -2.048 local terms energy: -442.917054 where: bonds (distance) C4'-P energy: -119.188 bonds (distance) P-C4' energy: -112.404 flat angles C4'-P-C4' energy: -122.781 flat angles P-C4'-P energy: -61.726 tors. eta vs tors. theta energy: -26.818 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: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -741.139857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.139857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.139857 (E_RNA) where: Base-Base interactions energy: -320.977 where: short stacking energy: -225.842 Base-Backbone interact. energy: -2.461 local terms energy: -417.702211 where: bonds (distance) C4'-P energy: -116.402 bonds (distance) P-C4' energy: -114.727 flat angles C4'-P-C4' energy: -111.081 flat angles P-C4'-P energy: -56.511 tors. eta vs tors. theta energy: -18.981 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: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -609.179566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.179566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.179566 (E_RNA) where: Base-Base interactions energy: -235.831 where: short stacking energy: -174.536 Base-Backbone interact. energy: -5.074 local terms energy: -368.274979 where: bonds (distance) C4'-P energy: -112.990 bonds (distance) P-C4' energy: -114.116 flat angles C4'-P-C4' energy: -90.664 flat angles P-C4'-P energy: -68.688 tors. eta vs tors. theta energy: 18.183 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: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -547.290947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.290947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.290947 (E_RNA) where: Base-Base interactions energy: -219.192 where: short stacking energy: -184.264 Base-Backbone interact. energy: -1.503 local terms energy: -326.595958 where: bonds (distance) C4'-P energy: -106.716 bonds (distance) P-C4' energy: -105.901 flat angles C4'-P-C4' energy: -98.681 flat angles P-C4'-P energy: -34.688 tors. eta vs tors. theta energy: 19.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1840.356062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.356062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.356062 (E_RNA) where: Base-Base interactions energy: -1162.361 where: short stacking energy: -542.895 Base-Backbone interact. energy: -4.200 local terms energy: -673.795534 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -146.698 flat angles P-C4'-P energy: -102.906 tors. eta vs tors. theta energy: -149.316 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1797.123396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.123396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.123396 (E_RNA) where: Base-Base interactions energy: -1148.657 where: short stacking energy: -575.679 Base-Backbone interact. energy: 0.344 local terms energy: -648.810358 where: bonds (distance) C4'-P energy: -127.820 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -150.109 flat angles P-C4'-P energy: -92.174 tors. eta vs tors. theta energy: -149.911 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: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1744.488240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.488240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.488240 (E_RNA) where: Base-Base interactions energy: -1126.455 where: short stacking energy: -516.170 Base-Backbone interact. energy: 2.307 local terms energy: -620.340401 where: bonds (distance) C4'-P energy: -139.879 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -131.852 flat angles P-C4'-P energy: -87.646 tors. eta vs tors. theta energy: -149.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1352.602886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.602886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.602886 (E_RNA) where: Base-Base interactions energy: -818.463 where: short stacking energy: -433.842 Base-Backbone interact. energy: -3.093 local terms energy: -531.047008 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -130.423 flat angles C4'-P-C4' energy: -118.958 flat angles P-C4'-P energy: -67.131 tors. eta vs tors. theta energy: -87.028 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: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1276.881276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.881276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.881276 (E_RNA) where: Base-Base interactions energy: -722.688 where: short stacking energy: -395.576 Base-Backbone interact. energy: 3.773 local terms energy: -557.966276 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -117.678 flat angles C4'-P-C4' energy: -129.124 flat angles P-C4'-P energy: -97.979 tors. eta vs tors. theta energy: -89.227 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: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1162.390827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.390827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.390827 (E_RNA) where: Base-Base interactions energy: -673.208 where: short stacking energy: -329.022 Base-Backbone interact. energy: -1.280 local terms energy: -487.903264 where: bonds (distance) C4'-P energy: -113.316 bonds (distance) P-C4' energy: -133.877 flat angles C4'-P-C4' energy: -117.664 flat angles P-C4'-P energy: -57.687 tors. eta vs tors. theta energy: -65.359 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: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1032.037155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.037155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.037155 (E_RNA) where: Base-Base interactions energy: -574.548 where: short stacking energy: -295.725 Base-Backbone interact. energy: -0.276 local terms energy: -457.213047 where: bonds (distance) C4'-P energy: -124.211 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -103.843 flat angles P-C4'-P energy: -60.256 tors. eta vs tors. theta energy: -51.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -875.086817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.086817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.086817 (E_RNA) where: Base-Base interactions energy: -455.508 where: short stacking energy: -264.518 Base-Backbone interact. energy: 0.331 local terms energy: -419.910228 where: bonds (distance) C4'-P energy: -110.073 bonds (distance) P-C4' energy: -114.419 flat angles C4'-P-C4' energy: -101.399 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -34.188 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: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -635.796905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.796905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.796905 (E_RNA) where: Base-Base interactions energy: -276.478 where: short stacking energy: -196.798 Base-Backbone interact. energy: -0.162 local terms energy: -359.157303 where: bonds (distance) C4'-P energy: -109.087 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -74.527 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: 0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -548.654514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.654514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.654514 (E_RNA) where: Base-Base interactions energy: -173.444 where: short stacking energy: -153.403 Base-Backbone interact. energy: 0.491 local terms energy: -375.700809 where: bonds (distance) C4'-P energy: -101.446 bonds (distance) P-C4' energy: -124.526 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -63.520 tors. eta vs tors. theta energy: 15.581 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: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1911.389894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.389894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.389894 (E_RNA) where: Base-Base interactions energy: -1229.505 where: short stacking energy: -589.047 Base-Backbone interact. energy: -1.858 local terms energy: -680.026935 where: bonds (distance) C4'-P energy: -145.297 bonds (distance) P-C4' energy: -129.936 flat angles C4'-P-C4' energy: -143.773 flat angles P-C4'-P energy: -96.940 tors. eta vs tors. theta energy: -164.081 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: 4 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1765.592181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.592181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.592181 (E_RNA) where: Base-Base interactions energy: -1123.535 where: short stacking energy: -522.363 Base-Backbone interact. energy: -0.970 local terms energy: -641.086709 where: bonds (distance) C4'-P energy: -139.787 bonds (distance) P-C4' energy: -140.413 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -70.706 tors. eta vs tors. theta energy: -150.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1722.703224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.703224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.703224 (E_RNA) where: Base-Base interactions energy: -1126.739 where: short stacking energy: -509.599 Base-Backbone interact. energy: -3.515 local terms energy: -592.449038 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -119.166 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -96.599 tors. eta vs tors. theta energy: -124.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1380.178588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.178588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.178588 (E_RNA) where: Base-Base interactions energy: -801.538 where: short stacking energy: -434.344 Base-Backbone interact. energy: -1.194 local terms energy: -577.446344 where: bonds (distance) C4'-P energy: -125.817 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -134.012 flat angles P-C4'-P energy: -73.527 tors. eta vs tors. theta energy: -104.557 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: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1306.891787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.891787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.891787 (E_RNA) where: Base-Base interactions energy: -788.966 where: short stacking energy: -392.214 Base-Backbone interact. energy: 0.927 local terms energy: -518.852620 where: bonds (distance) C4'-P energy: -113.133 bonds (distance) P-C4' energy: -117.453 flat angles C4'-P-C4' energy: -128.476 flat angles P-C4'-P energy: -86.220 tors. eta vs tors. theta energy: -73.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1146.602931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.602931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.602931 (E_RNA) where: Base-Base interactions energy: -670.467 where: short stacking energy: -342.994 Base-Backbone interact. energy: -3.576 local terms energy: -472.560782 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -124.040 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -66.517 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: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1011.708353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.708353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.708353 (E_RNA) where: Base-Base interactions energy: -553.473 where: short stacking energy: -281.317 Base-Backbone interact. energy: 0.026 local terms energy: -458.262016 where: bonds (distance) C4'-P energy: -117.080 bonds (distance) P-C4' energy: -119.207 flat angles C4'-P-C4' energy: -106.948 flat angles P-C4'-P energy: -71.895 tors. eta vs tors. theta energy: -43.132 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -895.761491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.761491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.761491 (E_RNA) where: Base-Base interactions energy: -472.392 where: short stacking energy: -286.480 Base-Backbone interact. energy: -0.151 local terms energy: -423.218036 where: bonds (distance) C4'-P energy: -122.538 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -94.479 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -33.430 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: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -631.293937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.293937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.293937 (E_RNA) where: Base-Base interactions energy: -261.206 where: short stacking energy: -193.307 Base-Backbone interact. energy: 3.593 local terms energy: -373.680607 where: bonds (distance) C4'-P energy: -117.870 bonds (distance) P-C4' energy: -117.314 flat angles C4'-P-C4' energy: -94.610 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: 5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -494.279333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.279333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.279333 (E_RNA) where: Base-Base interactions energy: -182.065 where: short stacking energy: -155.048 Base-Backbone interact. energy: 2.240 local terms energy: -314.453894 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -105.331 flat angles C4'-P-C4' energy: -85.114 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: 4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1914.162221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.162221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.162221 (E_RNA) where: Base-Base interactions energy: -1253.056 where: short stacking energy: -584.705 Base-Backbone interact. energy: -3.050 local terms energy: -658.055974 where: bonds (distance) C4'-P energy: -132.607 bonds (distance) P-C4' energy: -149.993 flat angles C4'-P-C4' energy: -136.146 flat angles P-C4'-P energy: -87.336 tors. eta vs tors. theta energy: -151.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1781.849480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.849480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.849480 (E_RNA) where: Base-Base interactions energy: -1135.803 where: short stacking energy: -565.567 Base-Backbone interact. energy: 0.250 local terms energy: -646.296166 where: bonds (distance) C4'-P energy: -126.616 bonds (distance) P-C4' energy: -143.859 flat angles C4'-P-C4' energy: -144.822 flat angles P-C4'-P energy: -87.594 tors. eta vs tors. theta energy: -143.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1707.647418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.647418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.647418 (E_RNA) where: Base-Base interactions energy: -1085.863 where: short stacking energy: -530.019 Base-Backbone interact. energy: -4.346 local terms energy: -617.438201 where: bonds (distance) C4'-P energy: -123.276 bonds (distance) P-C4' energy: -131.280 flat angles C4'-P-C4' energy: -140.240 flat angles P-C4'-P energy: -83.517 tors. eta vs tors. theta energy: -139.126 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: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1371.416552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.416552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.416552 (E_RNA) where: Base-Base interactions energy: -822.299 where: short stacking energy: -425.071 Base-Backbone interact. energy: -4.212 local terms energy: -544.905688 where: bonds (distance) C4'-P energy: -128.604 bonds (distance) P-C4' energy: -127.569 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -87.525 tors. eta vs tors. theta energy: -96.068 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: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1324.802360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.802360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.802360 (E_RNA) where: Base-Base interactions energy: -787.114 where: short stacking energy: -439.529 Base-Backbone interact. energy: -2.661 local terms energy: -535.027721 where: bonds (distance) C4'-P energy: -115.391 bonds (distance) P-C4' energy: -124.294 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -67.754 tors. eta vs tors. theta energy: -106.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1220.046089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.046089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.046089 (E_RNA) where: Base-Base interactions energy: -721.516 where: short stacking energy: -337.313 Base-Backbone interact. energy: -0.030 local terms energy: -498.500416 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -131.308 flat angles C4'-P-C4' energy: -117.484 flat angles P-C4'-P energy: -84.828 tors. eta vs tors. theta energy: -52.814 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: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1020.335684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.335684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.335684 (E_RNA) where: Base-Base interactions energy: -604.102 where: short stacking energy: -297.704 Base-Backbone interact. energy: 4.637 local terms energy: -420.870049 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -111.917 flat angles C4'-P-C4' energy: -103.463 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -47.756 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: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -896.145194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.145194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.145194 (E_RNA) where: Base-Base interactions energy: -459.673 where: short stacking energy: -259.468 Base-Backbone interact. energy: -0.180 local terms energy: -436.292146 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -118.027 flat angles C4'-P-C4' energy: -105.244 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -44.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -601.895982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.895982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.895982 (E_RNA) where: Base-Base interactions energy: -276.070 where: short stacking energy: -167.070 Base-Backbone interact. energy: -2.785 local terms energy: -323.040895 where: bonds (distance) C4'-P energy: -90.837 bonds (distance) P-C4' energy: -109.558 flat angles C4'-P-C4' energy: -92.612 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: 31.971 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: 6 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -512.827427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.827427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.827427 (E_RNA) where: Base-Base interactions energy: -186.206 where: short stacking energy: -171.100 Base-Backbone interact. energy: 7.278 local terms energy: -333.899248 where: bonds (distance) C4'-P energy: -97.398 bonds (distance) P-C4' energy: -108.955 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -42.377 tors. eta vs tors. theta energy: -2.506 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: 25 Temperature: 0.900000 Total energy: -2005.496378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.496378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.496378 (E_RNA) where: Base-Base interactions energy: -1300.763 where: short stacking energy: -600.290 Base-Backbone interact. energy: -2.102 local terms energy: -702.631908 where: bonds (distance) C4'-P energy: -150.268 bonds (distance) P-C4' energy: -132.108 flat angles C4'-P-C4' energy: -154.527 flat angles P-C4'-P energy: -98.613 tors. eta vs tors. theta energy: -167.116 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: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1808.562578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.562578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.562578 (E_RNA) where: Base-Base interactions energy: -1139.597 where: short stacking energy: -560.928 Base-Backbone interact. energy: -5.464 local terms energy: -663.502014 where: bonds (distance) C4'-P energy: -142.059 bonds (distance) P-C4' energy: -137.796 flat angles C4'-P-C4' energy: -149.949 flat angles P-C4'-P energy: -83.937 tors. eta vs tors. theta energy: -149.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1696.672112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.672112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.672112 (E_RNA) where: Base-Base interactions energy: -1069.752 where: short stacking energy: -501.540 Base-Backbone interact. energy: -2.453 local terms energy: -624.467416 where: bonds (distance) C4'-P energy: -124.277 bonds (distance) P-C4' energy: -133.205 flat angles C4'-P-C4' energy: -147.346 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -128.019 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: 25 Temperature: 1.050000 Total energy: -1404.009716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.009716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.009716 (E_RNA) where: Base-Base interactions energy: -842.407 where: short stacking energy: -425.323 Base-Backbone interact. energy: -0.115 local terms energy: -561.487360 where: bonds (distance) C4'-P energy: -129.835 bonds (distance) P-C4' energy: -129.116 flat angles C4'-P-C4' energy: -126.717 flat angles P-C4'-P energy: -91.369 tors. eta vs tors. theta energy: -84.450 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1301.313120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.313120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.313120 (E_RNA) where: Base-Base interactions energy: -766.924 where: short stacking energy: -389.530 Base-Backbone interact. energy: 0.063 local terms energy: -534.451478 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -132.274 flat angles C4'-P-C4' energy: -129.186 flat angles P-C4'-P energy: -73.766 tors. eta vs tors. theta energy: -87.100 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: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1378.954667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.954667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.954667 (E_RNA) where: Base-Base interactions energy: -877.622 where: short stacking energy: -403.441 Base-Backbone interact. energy: -3.197 local terms energy: -498.136452 where: bonds (distance) C4'-P energy: -106.454 bonds (distance) P-C4' energy: -104.721 flat angles C4'-P-C4' energy: -132.395 flat angles P-C4'-P energy: -74.456 tors. eta vs tors. theta energy: -80.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1035.875433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.875433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.875433 (E_RNA) where: Base-Base interactions energy: -614.022 where: short stacking energy: -304.687 Base-Backbone interact. energy: 1.317 local terms energy: -423.170547 where: bonds (distance) C4'-P energy: -99.732 bonds (distance) P-C4' energy: -115.777 flat angles C4'-P-C4' energy: -107.834 flat angles P-C4'-P energy: -52.895 tors. eta vs tors. theta energy: -46.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -917.962780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.962780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.962780 (E_RNA) where: Base-Base interactions energy: -510.119 where: short stacking energy: -282.466 Base-Backbone interact. energy: 4.115 local terms energy: -411.958798 where: bonds (distance) C4'-P energy: -111.353 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -96.944 flat angles P-C4'-P energy: -69.639 tors. eta vs tors. theta energy: -25.635 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: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -610.200242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.200242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.200242 (E_RNA) where: Base-Base interactions energy: -251.879 where: short stacking energy: -169.005 Base-Backbone interact. energy: 1.820 local terms energy: -360.141378 where: bonds (distance) C4'-P energy: -103.633 bonds (distance) P-C4' energy: -115.699 flat angles C4'-P-C4' energy: -96.017 flat angles P-C4'-P energy: -56.377 tors. eta vs tors. theta energy: 11.584 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: 6 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -555.985478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.985478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.985478 (E_RNA) where: Base-Base interactions energy: -224.900 where: short stacking energy: -174.548 Base-Backbone interact. energy: 4.456 local terms energy: -335.540725 where: bonds (distance) C4'-P energy: -85.323 bonds (distance) P-C4' energy: -108.091 flat angles C4'-P-C4' energy: -98.521 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: 14.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2020.455698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.455698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.455698 (E_RNA) where: Base-Base interactions energy: -1334.409 where: short stacking energy: -613.021 Base-Backbone interact. energy: -4.704 local terms energy: -681.342413 where: bonds (distance) C4'-P energy: -142.779 bonds (distance) P-C4' energy: -123.442 flat angles C4'-P-C4' energy: -151.045 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -167.850 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: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1806.426954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.426954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.426954 (E_RNA) where: Base-Base interactions energy: -1151.391 where: short stacking energy: -567.239 Base-Backbone interact. energy: -2.500 local terms energy: -652.536142 where: bonds (distance) C4'-P energy: -137.824 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -87.498 tors. eta vs tors. theta energy: -153.342 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: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1714.841666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.841666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.841666 (E_RNA) where: Base-Base interactions energy: -1122.956 where: short stacking energy: -508.676 Base-Backbone interact. energy: 1.232 local terms energy: -593.116773 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -135.922 flat angles C4'-P-C4' energy: -128.479 flat angles P-C4'-P energy: -65.301 tors. eta vs tors. theta energy: -144.266 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: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1535.697329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.697329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.697329 (E_RNA) where: Base-Base interactions energy: -972.700 where: short stacking energy: -473.458 Base-Backbone interact. energy: -4.168 local terms energy: -558.829168 where: bonds (distance) C4'-P energy: -118.070 bonds (distance) P-C4' energy: -131.675 flat angles C4'-P-C4' energy: -119.204 flat angles P-C4'-P energy: -82.103 tors. eta vs tors. theta energy: -107.777 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: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1524.640511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.640511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.640511 (E_RNA) where: Base-Base interactions energy: -974.897 where: short stacking energy: -430.071 Base-Backbone interact. energy: -1.912 local terms energy: -547.831270 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -121.434 flat angles C4'-P-C4' energy: -123.408 flat angles P-C4'-P energy: -92.480 tors. eta vs tors. theta energy: -107.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1261.506906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.506906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.506906 (E_RNA) where: Base-Base interactions energy: -766.572 where: short stacking energy: -374.270 Base-Backbone interact. energy: 1.080 local terms energy: -496.014974 where: bonds (distance) C4'-P energy: -115.871 bonds (distance) P-C4' energy: -99.347 flat angles C4'-P-C4' energy: -115.833 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -70.116 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: 26 Temperature: 1.200000 Total energy: -1158.245310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.245310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.245310 (E_RNA) where: Base-Base interactions energy: -695.560 where: short stacking energy: -332.337 Base-Backbone interact. energy: 3.909 local terms energy: -466.594523 where: bonds (distance) C4'-P energy: -110.408 bonds (distance) P-C4' energy: -109.274 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -71.853 tors. eta vs tors. theta energy: -62.321 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: 8, replica: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -911.521011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.521011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.521011 (E_RNA) where: Base-Base interactions energy: -479.148 where: short stacking energy: -265.782 Base-Backbone interact. energy: -0.572 local terms energy: -431.801124 where: bonds (distance) C4'-P energy: -119.546 bonds (distance) P-C4' energy: -113.506 flat angles C4'-P-C4' energy: -93.609 flat angles P-C4'-P energy: -81.386 tors. eta vs tors. theta energy: -23.754 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: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -576.942573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.942573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.942573 (E_RNA) where: Base-Base interactions energy: -216.562 where: short stacking energy: -155.953 Base-Backbone interact. energy: -1.755 local terms energy: -358.625040 where: bonds (distance) C4'-P energy: -103.841 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -95.143 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: 12.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -567.048879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.048879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.048879 (E_RNA) where: Base-Base interactions energy: -253.141 where: short stacking energy: -179.880 Base-Backbone interact. energy: 2.870 local terms energy: -316.778530 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -122.381 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -27.465 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: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1962.813021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.813021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.813021 (E_RNA) where: Base-Base interactions energy: -1282.547 where: short stacking energy: -597.118 Base-Backbone interact. energy: -2.269 local terms energy: -677.996995 where: bonds (distance) C4'-P energy: -140.118 bonds (distance) P-C4' energy: -140.996 flat angles C4'-P-C4' energy: -139.007 flat angles P-C4'-P energy: -100.115 tors. eta vs tors. theta energy: -157.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1813.364366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.364366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.364366 (E_RNA) where: Base-Base interactions energy: -1185.088 where: short stacking energy: -570.696 Base-Backbone interact. energy: -1.926 local terms energy: -626.351079 where: bonds (distance) C4'-P energy: -125.739 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -151.140 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -151.476 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: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1728.641664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.641664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.641664 (E_RNA) where: Base-Base interactions energy: -1097.764 where: short stacking energy: -499.260 Base-Backbone interact. energy: -1.896 local terms energy: -628.982060 where: bonds (distance) C4'-P energy: -126.934 bonds (distance) P-C4' energy: -136.252 flat angles C4'-P-C4' energy: -142.340 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -129.302 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: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1572.065987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.065987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.065987 (E_RNA) where: Base-Base interactions energy: -965.844 where: short stacking energy: -443.159 Base-Backbone interact. energy: 0.225 local terms energy: -606.446420 where: bonds (distance) C4'-P energy: -121.724 bonds (distance) P-C4' energy: -139.139 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -90.178 tors. eta vs tors. theta energy: -117.393 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: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1469.448747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.448747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.448747 (E_RNA) where: Base-Base interactions energy: -915.093 where: short stacking energy: -432.372 Base-Backbone interact. energy: -2.182 local terms energy: -552.173761 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -127.022 flat angles P-C4'-P energy: -90.680 tors. eta vs tors. theta energy: -111.889 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: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1353.987315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.987315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.987315 (E_RNA) where: Base-Base interactions energy: -814.358 where: short stacking energy: -404.290 Base-Backbone interact. energy: -0.175 local terms energy: -539.453646 where: bonds (distance) C4'-P energy: -118.071 bonds (distance) P-C4' energy: -129.109 flat angles C4'-P-C4' energy: -123.074 flat angles P-C4'-P energy: -72.873 tors. eta vs tors. theta energy: -96.326 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: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1114.988568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.988568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.988568 (E_RNA) where: Base-Base interactions energy: -680.377 where: short stacking energy: -299.688 Base-Backbone interact. energy: -1.101 local terms energy: -433.510129 where: bonds (distance) C4'-P energy: -115.096 bonds (distance) P-C4' energy: -130.831 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -64.385 tors. eta vs tors. theta energy: -24.459 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: 8, replica: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -951.558697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.558697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.558697 (E_RNA) where: Base-Base interactions energy: -536.197 where: short stacking energy: -281.047 Base-Backbone interact. energy: -3.057 local terms energy: -412.304606 where: bonds (distance) C4'-P energy: -112.328 bonds (distance) P-C4' energy: -111.389 flat angles C4'-P-C4' energy: -105.932 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -27.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -640.058370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.058370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.058370 (E_RNA) where: Base-Base interactions energy: -273.382 where: short stacking energy: -197.856 Base-Backbone interact. energy: 0.678 local terms energy: -367.354071 where: bonds (distance) C4'-P energy: -93.867 bonds (distance) P-C4' energy: -111.890 flat angles C4'-P-C4' energy: -114.897 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -3.871 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: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -545.073188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.073188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.073188 (E_RNA) where: Base-Base interactions energy: -230.569 where: short stacking energy: -151.137 Base-Backbone interact. energy: 1.008 local terms energy: -315.511848 where: bonds (distance) C4'-P energy: -104.847 bonds (distance) P-C4' energy: -112.279 flat angles C4'-P-C4' energy: -72.701 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: 33.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1976.689888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.689888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.689888 (E_RNA) where: Base-Base interactions energy: -1313.695 where: short stacking energy: -609.586 Base-Backbone interact. energy: -3.417 local terms energy: -659.578299 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -125.025 flat angles C4'-P-C4' energy: -157.368 flat angles P-C4'-P energy: -90.753 tors. eta vs tors. theta energy: -158.930 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: 2, replica: 4 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1855.550428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.550428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.550428 (E_RNA) where: Base-Base interactions energy: -1208.836 where: short stacking energy: -555.938 Base-Backbone interact. energy: -5.684 local terms energy: -641.030265 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -128.901 flat angles C4'-P-C4' energy: -141.355 flat angles P-C4'-P energy: -79.413 tors. eta vs tors. theta energy: -149.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1734.960444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.960444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.960444 (E_RNA) where: Base-Base interactions energy: -1081.995 where: short stacking energy: -519.201 Base-Backbone interact. energy: -2.323 local terms energy: -650.642686 where: bonds (distance) C4'-P energy: -133.406 bonds (distance) P-C4' energy: -139.052 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -90.293 tors. eta vs tors. theta energy: -145.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1591.619002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.619002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.619002 (E_RNA) where: Base-Base interactions energy: -1012.989 where: short stacking energy: -443.485 Base-Backbone interact. energy: -1.771 local terms energy: -576.858233 where: bonds (distance) C4'-P energy: -124.163 bonds (distance) P-C4' energy: -131.548 flat angles C4'-P-C4' energy: -125.551 flat angles P-C4'-P energy: -92.792 tors. eta vs tors. theta energy: -102.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1437.865895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.865895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.865895 (E_RNA) where: Base-Base interactions energy: -855.323 where: short stacking energy: -433.904 Base-Backbone interact. energy: -3.831 local terms energy: -578.712748 where: bonds (distance) C4'-P energy: -126.267 bonds (distance) P-C4' energy: -132.568 flat angles C4'-P-C4' energy: -141.754 flat angles P-C4'-P energy: -82.101 tors. eta vs tors. theta energy: -96.023 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: 6, replica: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1333.585324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.585324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.585324 (E_RNA) where: Base-Base interactions energy: -811.947 where: short stacking energy: -387.488 Base-Backbone interact. energy: -3.284 local terms energy: -518.353740 where: bonds (distance) C4'-P energy: -132.969 bonds (distance) P-C4' energy: -129.616 flat angles C4'-P-C4' energy: -117.644 flat angles P-C4'-P energy: -75.002 tors. eta vs tors. theta energy: -63.123 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: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1136.662759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.662759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.662759 (E_RNA) where: Base-Base interactions energy: -678.688 where: short stacking energy: -344.012 Base-Backbone interact. energy: 1.632 local terms energy: -459.606653 where: bonds (distance) C4'-P energy: -105.122 bonds (distance) P-C4' energy: -114.765 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -64.472 tors. eta vs tors. theta energy: -50.192 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: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -916.196905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.196905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.196905 (E_RNA) where: Base-Base interactions energy: -502.386 where: short stacking energy: -272.407 Base-Backbone interact. energy: -2.299 local terms energy: -411.512495 where: bonds (distance) C4'-P energy: -91.017 bonds (distance) P-C4' energy: -119.641 flat angles C4'-P-C4' energy: -109.258 flat angles P-C4'-P energy: -65.133 tors. eta vs tors. theta energy: -26.463 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -552.273741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.273741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.273741 (E_RNA) where: Base-Base interactions energy: -213.213 where: short stacking energy: -170.907 Base-Backbone interact. energy: 2.019 local terms energy: -341.079866 where: bonds (distance) C4'-P energy: -106.696 bonds (distance) P-C4' energy: -87.874 flat angles C4'-P-C4' energy: -107.285 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: 10.027 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: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -660.128316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.128316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.128316 (E_RNA) where: Base-Base interactions energy: -308.561 where: short stacking energy: -176.205 Base-Backbone interact. energy: 4.620 local terms energy: -356.187528 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -110.719 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: 9.938 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: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1941.374471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.374471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.374471 (E_RNA) where: Base-Base interactions energy: -1266.205 where: short stacking energy: -587.864 Base-Backbone interact. energy: -2.969 local terms energy: -672.200864 where: bonds (distance) C4'-P energy: -136.132 bonds (distance) P-C4' energy: -134.008 flat angles C4'-P-C4' energy: -143.085 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -159.844 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1840.039245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.039245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.039245 (E_RNA) where: Base-Base interactions energy: -1227.582 where: short stacking energy: -572.552 Base-Backbone interact. energy: -1.303 local terms energy: -611.154425 where: bonds (distance) C4'-P energy: -127.721 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -132.490 flat angles P-C4'-P energy: -90.259 tors. eta vs tors. theta energy: -148.893 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: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1788.519005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.519005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.519005 (E_RNA) where: Base-Base interactions energy: -1131.116 where: short stacking energy: -540.940 Base-Backbone interact. energy: -3.565 local terms energy: -653.837840 where: bonds (distance) C4'-P energy: -137.327 bonds (distance) P-C4' energy: -125.257 flat angles C4'-P-C4' energy: -145.672 flat angles P-C4'-P energy: -82.297 tors. eta vs tors. theta energy: -163.285 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: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1604.491891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.491891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.491891 (E_RNA) where: Base-Base interactions energy: -1053.894 where: short stacking energy: -456.999 Base-Backbone interact. energy: -2.686 local terms energy: -547.911923 where: bonds (distance) C4'-P energy: -115.021 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -138.653 flat angles P-C4'-P energy: -75.796 tors. eta vs tors. theta energy: -98.112 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: 5, replica: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1418.838262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.838262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.838262 (E_RNA) where: Base-Base interactions energy: -880.542 where: short stacking energy: -416.826 Base-Backbone interact. energy: -1.749 local terms energy: -536.546759 where: bonds (distance) C4'-P energy: -119.476 bonds (distance) P-C4' energy: -117.544 flat angles C4'-P-C4' energy: -124.716 flat angles P-C4'-P energy: -80.411 tors. eta vs tors. theta energy: -94.400 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: 6, replica: 2 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1285.162267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.162267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.162267 (E_RNA) where: Base-Base interactions energy: -777.604 where: short stacking energy: -402.743 Base-Backbone interact. energy: -3.090 local terms energy: -504.468283 where: bonds (distance) C4'-P energy: -101.762 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -116.260 flat angles P-C4'-P energy: -87.861 tors. eta vs tors. theta energy: -81.568 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: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1217.703194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.703194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.703194 (E_RNA) where: Base-Base interactions energy: -754.330 where: short stacking energy: -349.534 Base-Backbone interact. energy: -2.450 local terms energy: -460.923717 where: bonds (distance) C4'-P energy: -118.214 bonds (distance) P-C4' energy: -112.327 flat angles C4'-P-C4' energy: -111.205 flat angles P-C4'-P energy: -51.654 tors. eta vs tors. theta energy: -67.525 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: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -981.395364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.395364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.395364 (E_RNA) where: Base-Base interactions energy: -547.231 where: short stacking energy: -297.020 Base-Backbone interact. energy: -0.504 local terms energy: -433.660137 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -131.590 flat angles C4'-P-C4' energy: -102.103 flat angles P-C4'-P energy: -45.309 tors. eta vs tors. theta energy: -39.396 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -601.356076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.356076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.356076 (E_RNA) where: Base-Base interactions energy: -276.404 where: short stacking energy: -181.725 Base-Backbone interact. energy: -1.368 local terms energy: -323.583346 where: bonds (distance) C4'-P energy: -93.020 bonds (distance) P-C4' energy: -119.870 flat angles C4'-P-C4' energy: -86.128 flat angles P-C4'-P energy: -35.552 tors. eta vs tors. theta energy: 10.987 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: 29 Temperature: 1.350000 Total energy: -671.676216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.676216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.676216 (E_RNA) where: Base-Base interactions energy: -308.556 where: short stacking energy: -198.146 Base-Backbone interact. energy: 0.316 local terms energy: -363.436540 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -100.833 flat angles C4'-P-C4' energy: -90.689 flat angles P-C4'-P energy: -53.547 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: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1960.043600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.043600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.043600 (E_RNA) where: Base-Base interactions energy: -1294.345 where: short stacking energy: -588.032 Base-Backbone interact. energy: -3.850 local terms energy: -661.848191 where: bonds (distance) C4'-P energy: -126.530 bonds (distance) P-C4' energy: -132.025 flat angles C4'-P-C4' energy: -153.658 flat angles P-C4'-P energy: -99.352 tors. eta vs tors. theta energy: -150.283 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: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1866.626804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.626804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.626804 (E_RNA) where: Base-Base interactions energy: -1224.023 where: short stacking energy: -586.161 Base-Backbone interact. energy: -0.544 local terms energy: -642.059499 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -133.635 flat angles C4'-P-C4' energy: -138.837 flat angles P-C4'-P energy: -88.155 tors. eta vs tors. theta energy: -152.413 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: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1728.381424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.381424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.381424 (E_RNA) where: Base-Base interactions energy: -1134.377 where: short stacking energy: -511.552 Base-Backbone interact. energy: 4.312 local terms energy: -598.316587 where: bonds (distance) C4'-P energy: -107.892 bonds (distance) P-C4' energy: -133.963 flat angles C4'-P-C4' energy: -140.623 flat angles P-C4'-P energy: -89.851 tors. eta vs tors. theta energy: -125.987 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: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1671.693609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.693609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.693609 (E_RNA) where: Base-Base interactions energy: -1111.488 where: short stacking energy: -497.386 Base-Backbone interact. energy: 2.380 local terms energy: -562.586231 where: bonds (distance) C4'-P energy: -109.686 bonds (distance) P-C4' energy: -119.042 flat angles C4'-P-C4' energy: -129.964 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -112.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1411.921177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.921177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.921177 (E_RNA) where: Base-Base interactions energy: -839.322 where: short stacking energy: -424.933 Base-Backbone interact. energy: -0.058 local terms energy: -572.542122 where: bonds (distance) C4'-P energy: -125.907 bonds (distance) P-C4' energy: -126.423 flat angles C4'-P-C4' energy: -135.906 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -100.077 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: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1317.886528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.886528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.886528 (E_RNA) where: Base-Base interactions energy: -815.178 where: short stacking energy: -400.376 Base-Backbone interact. energy: -3.426 local terms energy: -499.282442 where: bonds (distance) C4'-P energy: -119.702 bonds (distance) P-C4' energy: -117.909 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -82.661 tors. eta vs tors. theta energy: -78.856 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: 7, replica: 3 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1152.513779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.513779 (E_RNA) where: Base-Base interactions energy: -702.018 where: short stacking energy: -345.139 Base-Backbone interact. energy: -2.882 local terms energy: -447.614225 where: bonds (distance) C4'-P energy: -125.104 bonds (distance) P-C4' energy: -112.120 flat angles C4'-P-C4' energy: -109.273 flat angles P-C4'-P energy: -38.994 tors. eta vs tors. theta energy: -62.123 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: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1012.117422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.117422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.117422 (E_RNA) where: Base-Base interactions energy: -571.882 where: short stacking energy: -298.697 Base-Backbone interact. energy: 0.141 local terms energy: -440.376963 where: bonds (distance) C4'-P energy: -107.734 bonds (distance) P-C4' energy: -103.218 flat angles C4'-P-C4' energy: -119.882 flat angles P-C4'-P energy: -70.047 tors. eta vs tors. theta energy: -39.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -674.649068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.649068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.649068 (E_RNA) where: Base-Base interactions energy: -326.229 where: short stacking energy: -214.115 Base-Backbone interact. energy: 9.985 local terms energy: -358.405169 where: bonds (distance) C4'-P energy: -98.051 bonds (distance) P-C4' energy: -119.792 flat angles C4'-P-C4' energy: -85.095 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: 4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -563.994106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.994106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.994106 (E_RNA) where: Base-Base interactions energy: -244.299 where: short stacking energy: -188.112 Base-Backbone interact. energy: -0.626 local terms energy: -319.068457 where: bonds (distance) C4'-P energy: -78.573 bonds (distance) P-C4' energy: -122.400 flat angles C4'-P-C4' energy: -92.487 flat angles P-C4'-P energy: -42.012 tors. eta vs tors. theta energy: 16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1969.607925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.607925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.607925 (E_RNA) where: Base-Base interactions energy: -1310.546 where: short stacking energy: -579.940 Base-Backbone interact. energy: -2.909 local terms energy: -656.152440 where: bonds (distance) C4'-P energy: -133.231 bonds (distance) P-C4' energy: -134.930 flat angles C4'-P-C4' energy: -136.868 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -154.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1834.469464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.469464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.469464 (E_RNA) where: Base-Base interactions energy: -1173.126 where: short stacking energy: -569.901 Base-Backbone interact. energy: -2.347 local terms energy: -658.996405 where: bonds (distance) C4'-P energy: -133.811 bonds (distance) P-C4' energy: -139.898 flat angles C4'-P-C4' energy: -148.501 flat angles P-C4'-P energy: -87.945 tors. eta vs tors. theta energy: -148.841 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: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1773.250173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.250173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.250173 (E_RNA) where: Base-Base interactions energy: -1174.215 where: short stacking energy: -527.813 Base-Backbone interact. energy: -5.094 local terms energy: -593.940474 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -136.672 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -82.518 tors. eta vs tors. theta energy: -132.832 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: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1676.320771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.320771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.320771 (E_RNA) where: Base-Base interactions energy: -1087.436 where: short stacking energy: -485.403 Base-Backbone interact. energy: 0.886 local terms energy: -589.770702 where: bonds (distance) C4'-P energy: -109.001 bonds (distance) P-C4' energy: -128.604 flat angles C4'-P-C4' energy: -142.499 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -113.688 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: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1276.437220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.437220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.437220 (E_RNA) where: Base-Base interactions energy: -766.011 where: short stacking energy: -388.938 Base-Backbone interact. energy: 2.475 local terms energy: -512.901647 where: bonds (distance) C4'-P energy: -105.824 bonds (distance) P-C4' energy: -135.348 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -92.672 tors. eta vs tors. theta energy: -70.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1264.928728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.928728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.928728 (E_RNA) where: Base-Base interactions energy: -777.491 where: short stacking energy: -376.478 Base-Backbone interact. energy: 0.402 local terms energy: -487.839393 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -112.789 flat angles C4'-P-C4' energy: -114.956 flat angles P-C4'-P energy: -77.414 tors. eta vs tors. theta energy: -82.509 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: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1175.552613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.552613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.552613 (E_RNA) where: Base-Base interactions energy: -685.392 where: short stacking energy: -350.791 Base-Backbone interact. energy: 2.029 local terms energy: -492.189510 where: bonds (distance) C4'-P energy: -117.363 bonds (distance) P-C4' energy: -113.297 flat angles C4'-P-C4' energy: -118.124 flat angles P-C4'-P energy: -73.493 tors. eta vs tors. theta energy: -69.913 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: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1007.924004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.924004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.924004 (E_RNA) where: Base-Base interactions energy: -593.374 where: short stacking energy: -298.306 Base-Backbone interact. energy: -1.062 local terms energy: -413.488092 where: bonds (distance) C4'-P energy: -113.224 bonds (distance) P-C4' energy: -113.169 flat angles C4'-P-C4' energy: -110.092 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -24.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -666.649840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.649840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.649840 (E_RNA) where: Base-Base interactions energy: -278.202 where: short stacking energy: -192.380 Base-Backbone interact. energy: -0.499 local terms energy: -387.949494 where: bonds (distance) C4'-P energy: -109.194 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -95.786 flat angles P-C4'-P energy: -56.339 tors. eta vs tors. theta energy: -8.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -497.816393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.816393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.816393 (E_RNA) where: Base-Base interactions energy: -173.709 where: short stacking energy: -135.029 Base-Backbone interact. energy: 0.982 local terms energy: -325.089943 where: bonds (distance) C4'-P energy: -110.225 bonds (distance) P-C4' energy: -107.536 flat angles C4'-P-C4' energy: -99.135 flat angles P-C4'-P energy: -39.984 tors. eta vs tors. theta energy: 31.790 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: 1, replica: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1985.133530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.133530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.133530 (E_RNA) where: Base-Base interactions energy: -1312.275 where: short stacking energy: -622.623 Base-Backbone interact. energy: -4.397 local terms energy: -668.461554 where: bonds (distance) C4'-P energy: -125.580 bonds (distance) P-C4' energy: -128.316 flat angles C4'-P-C4' energy: -153.473 flat angles P-C4'-P energy: -80.891 tors. eta vs tors. theta energy: -180.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1775.549577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.549577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.549577 (E_RNA) where: Base-Base interactions energy: -1174.609 where: short stacking energy: -542.244 Base-Backbone interact. energy: -3.046 local terms energy: -597.894442 where: bonds (distance) C4'-P energy: -116.611 bonds (distance) P-C4' energy: -123.565 flat angles C4'-P-C4' energy: -138.342 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -137.476 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: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1770.256024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.256024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.256024 (E_RNA) where: Base-Base interactions energy: -1147.147 where: short stacking energy: -521.910 Base-Backbone interact. energy: -4.075 local terms energy: -619.033889 where: bonds (distance) C4'-P energy: -122.767 bonds (distance) P-C4' energy: -132.644 flat angles C4'-P-C4' energy: -134.479 flat angles P-C4'-P energy: -86.307 tors. eta vs tors. theta energy: -142.836 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: 4, replica: 5 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1693.096443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.096443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.096443 (E_RNA) where: Base-Base interactions energy: -1078.543 where: short stacking energy: -493.266 Base-Backbone interact. energy: -5.248 local terms energy: -609.305324 where: bonds (distance) C4'-P energy: -127.666 bonds (distance) P-C4' energy: -131.373 flat angles C4'-P-C4' energy: -133.104 flat angles P-C4'-P energy: -98.879 tors. eta vs tors. theta energy: -118.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1366.475182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.475182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.475182 (E_RNA) where: Base-Base interactions energy: -822.638 where: short stacking energy: -429.391 Base-Backbone interact. energy: -4.041 local terms energy: -539.795475 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -117.550 flat angles C4'-P-C4' energy: -133.300 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -95.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1281.596376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.596376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.596376 (E_RNA) where: Base-Base interactions energy: -770.904 where: short stacking energy: -381.191 Base-Backbone interact. energy: -2.728 local terms energy: -507.963740 where: bonds (distance) C4'-P energy: -101.315 bonds (distance) P-C4' energy: -127.394 flat angles C4'-P-C4' energy: -128.183 flat angles P-C4'-P energy: -70.707 tors. eta vs tors. theta energy: -80.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1217.537429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.537429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.537429 (E_RNA) where: Base-Base interactions energy: -746.934 where: short stacking energy: -379.497 Base-Backbone interact. energy: -3.454 local terms energy: -467.149405 where: bonds (distance) C4'-P energy: -91.649 bonds (distance) P-C4' energy: -113.534 flat angles C4'-P-C4' energy: -114.631 flat angles P-C4'-P energy: -76.614 tors. eta vs tors. theta energy: -70.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -981.466076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.466076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.466076 (E_RNA) where: Base-Base interactions energy: -540.370 where: short stacking energy: -291.471 Base-Backbone interact. energy: -0.061 local terms energy: -441.034302 where: bonds (distance) C4'-P energy: -102.913 bonds (distance) P-C4' energy: -113.992 flat angles C4'-P-C4' energy: -99.903 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -52.515 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: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -649.405297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.405297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.405297 (E_RNA) where: Base-Base interactions energy: -264.147 where: short stacking energy: -163.145 Base-Backbone interact. energy: 1.561 local terms energy: -386.819524 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -106.556 flat angles C4'-P-C4' energy: -110.494 flat angles P-C4'-P energy: -62.951 tors. eta vs tors. theta energy: 9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -554.258081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.258081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.258081 (E_RNA) where: Base-Base interactions energy: -195.875 where: short stacking energy: -152.676 Base-Backbone interact. energy: 7.080 local terms energy: -365.462675 where: bonds (distance) C4'-P energy: -123.058 bonds (distance) P-C4' energy: -116.071 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: 23.729 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: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2000.100460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.100460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.100460 (E_RNA) where: Base-Base interactions energy: -1290.301 where: short stacking energy: -616.292 Base-Backbone interact. energy: -0.415 local terms energy: -709.384691 where: bonds (distance) C4'-P energy: -141.067 bonds (distance) P-C4' energy: -141.851 flat angles C4'-P-C4' energy: -139.624 flat angles P-C4'-P energy: -111.603 tors. eta vs tors. theta energy: -175.240 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1846.137151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.137151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.137151 (E_RNA) where: Base-Base interactions energy: -1218.558 where: short stacking energy: -573.909 Base-Backbone interact. energy: -2.818 local terms energy: -624.760741 where: bonds (distance) C4'-P energy: -123.299 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -78.154 tors. eta vs tors. theta energy: -156.758 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: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1784.138250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.138250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.138250 (E_RNA) where: Base-Base interactions energy: -1174.296 where: short stacking energy: -530.863 Base-Backbone interact. energy: -2.821 local terms energy: -607.021486 where: bonds (distance) C4'-P energy: -109.579 bonds (distance) P-C4' energy: -135.690 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -88.074 tors. eta vs tors. theta energy: -130.354 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: 5 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1751.370833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.370833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.370833 (E_RNA) where: Base-Base interactions energy: -1174.382 where: short stacking energy: -485.630 Base-Backbone interact. energy: -1.566 local terms energy: -575.423668 where: bonds (distance) C4'-P energy: -110.560 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -136.123 flat angles P-C4'-P energy: -85.561 tors. eta vs tors. theta energy: -110.894 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: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1399.273480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.273480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.273480 (E_RNA) where: Base-Base interactions energy: -851.480 where: short stacking energy: -417.881 Base-Backbone interact. energy: -1.108 local terms energy: -546.686059 where: bonds (distance) C4'-P energy: -117.479 bonds (distance) P-C4' energy: -128.172 flat angles C4'-P-C4' energy: -125.569 flat angles P-C4'-P energy: -80.738 tors. eta vs tors. theta energy: -94.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1315.539319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.539319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.539319 (E_RNA) where: Base-Base interactions energy: -822.826 where: short stacking energy: -406.605 Base-Backbone interact. energy: 1.582 local terms energy: -494.296153 where: bonds (distance) C4'-P energy: -91.078 bonds (distance) P-C4' energy: -120.070 flat angles C4'-P-C4' energy: -113.992 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -90.407 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: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1179.366000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.366000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.366000 (E_RNA) where: Base-Base interactions energy: -712.345 where: short stacking energy: -347.433 Base-Backbone interact. energy: -0.966 local terms energy: -466.054489 where: bonds (distance) C4'-P energy: -113.619 bonds (distance) P-C4' energy: -103.013 flat angles C4'-P-C4' energy: -119.951 flat angles P-C4'-P energy: -60.217 tors. eta vs tors. theta energy: -69.255 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: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1198.930121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.930121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.930121 (E_RNA) where: Base-Base interactions energy: -779.140 where: short stacking energy: -342.150 Base-Backbone interact. energy: 0.853 local terms energy: -420.643324 where: bonds (distance) C4'-P energy: -102.786 bonds (distance) P-C4' energy: -103.354 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -48.123 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: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -630.086020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.086020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.086020 (E_RNA) where: Base-Base interactions energy: -252.225 where: short stacking energy: -194.173 Base-Backbone interact. energy: 1.160 local terms energy: -379.021122 where: bonds (distance) C4'-P energy: -119.580 bonds (distance) P-C4' energy: -117.952 flat angles C4'-P-C4' energy: -99.568 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: 4.970 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: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -553.368134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.368134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.368134 (E_RNA) where: Base-Base interactions energy: -205.973 where: short stacking energy: -155.229 Base-Backbone interact. energy: 2.469 local terms energy: -349.864663 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -106.207 flat angles C4'-P-C4' energy: -95.620 flat angles P-C4'-P energy: -66.157 tors. eta vs tors. theta energy: 22.465 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: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2021.598464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.598464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.598464 (E_RNA) where: Base-Base interactions energy: -1341.181 where: short stacking energy: -617.475 Base-Backbone interact. energy: -1.395 local terms energy: -679.021746 where: bonds (distance) C4'-P energy: -132.223 bonds (distance) P-C4' energy: -138.620 flat angles C4'-P-C4' energy: -141.367 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -188.731 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1817.801426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.801426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.801426 (E_RNA) where: Base-Base interactions energy: -1168.119 where: short stacking energy: -526.919 Base-Backbone interact. energy: -1.492 local terms energy: -648.190971 where: bonds (distance) C4'-P energy: -134.284 bonds (distance) P-C4' energy: -131.449 flat angles C4'-P-C4' energy: -146.767 flat angles P-C4'-P energy: -94.203 tors. eta vs tors. theta energy: -141.489 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: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1786.253700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.253700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.253700 (E_RNA) where: Base-Base interactions energy: -1162.763 where: short stacking energy: -542.509 Base-Backbone interact. energy: 0.894 local terms energy: -624.384886 where: bonds (distance) C4'-P energy: -126.223 bonds (distance) P-C4' energy: -139.380 flat angles C4'-P-C4' energy: -127.519 flat angles P-C4'-P energy: -87.315 tors. eta vs tors. theta energy: -143.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1811.404960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.404960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.404960 (E_RNA) where: Base-Base interactions energy: -1223.621 where: short stacking energy: -523.912 Base-Backbone interact. energy: -0.682 local terms energy: -587.101973 where: bonds (distance) C4'-P energy: -124.142 bonds (distance) P-C4' energy: -122.597 flat angles C4'-P-C4' energy: -137.277 flat angles P-C4'-P energy: -75.195 tors. eta vs tors. theta energy: -127.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1362.368576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.368576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.368576 (E_RNA) where: Base-Base interactions energy: -821.228 where: short stacking energy: -428.190 Base-Backbone interact. energy: 3.923 local terms energy: -545.063785 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -128.318 flat angles C4'-P-C4' energy: -126.450 flat angles P-C4'-P energy: -79.918 tors. eta vs tors. theta energy: -101.863 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: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1322.082727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.082727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.082727 (E_RNA) where: Base-Base interactions energy: -847.449 where: short stacking energy: -381.364 Base-Backbone interact. energy: 1.461 local terms energy: -476.094919 where: bonds (distance) C4'-P energy: -99.045 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -119.855 flat angles P-C4'-P energy: -67.219 tors. eta vs tors. theta energy: -73.547 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: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1261.939106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.939106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.939106 (E_RNA) where: Base-Base interactions energy: -771.560 where: short stacking energy: -363.198 Base-Backbone interact. energy: -1.773 local terms energy: -488.606866 where: bonds (distance) C4'-P energy: -115.228 bonds (distance) P-C4' energy: -115.131 flat angles C4'-P-C4' energy: -117.127 flat angles P-C4'-P energy: -76.915 tors. eta vs tors. theta energy: -64.207 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: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1072.678636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.678636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.678636 (E_RNA) where: Base-Base interactions energy: -627.181 where: short stacking energy: -321.316 Base-Backbone interact. energy: 0.072 local terms energy: -445.569658 where: bonds (distance) C4'-P energy: -107.299 bonds (distance) P-C4' energy: -113.417 flat angles C4'-P-C4' energy: -98.500 flat angles P-C4'-P energy: -61.645 tors. eta vs tors. theta energy: -64.709 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: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -607.934803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.934803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.934803 (E_RNA) where: Base-Base interactions energy: -232.755 where: short stacking energy: -159.943 Base-Backbone interact. energy: -0.988 local terms energy: -374.191046 where: bonds (distance) C4'-P energy: -108.298 bonds (distance) P-C4' energy: -108.057 flat angles C4'-P-C4' energy: -113.392 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: 19.400 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: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -528.498959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.498959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.498959 (E_RNA) where: Base-Base interactions energy: -170.343 where: short stacking energy: -150.938 Base-Backbone interact. energy: 0.335 local terms energy: -358.490707 where: bonds (distance) C4'-P energy: -123.708 bonds (distance) P-C4' energy: -104.301 flat angles C4'-P-C4' energy: -86.341 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: 17.906 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: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1984.392462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.392462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.392462 (E_RNA) where: Base-Base interactions energy: -1300.679 where: short stacking energy: -628.786 Base-Backbone interact. energy: -1.749 local terms energy: -681.965418 where: bonds (distance) C4'-P energy: -129.665 bonds (distance) P-C4' energy: -128.771 flat angles C4'-P-C4' energy: -151.543 flat angles P-C4'-P energy: -89.682 tors. eta vs tors. theta energy: -182.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1855.550178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.550178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.550178 (E_RNA) where: Base-Base interactions energy: -1192.485 where: short stacking energy: -542.712 Base-Backbone interact. energy: -3.031 local terms energy: -660.034253 where: bonds (distance) C4'-P energy: -132.104 bonds (distance) P-C4' energy: -136.556 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -87.483 tors. eta vs tors. theta energy: -145.699 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: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1770.483620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.483620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.483620 (E_RNA) where: Base-Base interactions energy: -1145.094 where: short stacking energy: -552.282 Base-Backbone interact. energy: -0.412 local terms energy: -624.977739 where: bonds (distance) C4'-P energy: -132.666 bonds (distance) P-C4' energy: -124.590 flat angles C4'-P-C4' energy: -132.758 flat angles P-C4'-P energy: -81.998 tors. eta vs tors. theta energy: -152.966 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: 4, replica: 5 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1870.060467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.060467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.060467 (E_RNA) where: Base-Base interactions energy: -1244.745 where: short stacking energy: -535.173 Base-Backbone interact. energy: -0.861 local terms energy: -624.454849 where: bonds (distance) C4'-P energy: -128.945 bonds (distance) P-C4' energy: -137.936 flat angles C4'-P-C4' energy: -140.070 flat angles P-C4'-P energy: -74.498 tors. eta vs tors. theta energy: -143.006 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: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1363.954453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.954453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.954453 (E_RNA) where: Base-Base interactions energy: -818.778 where: short stacking energy: -414.333 Base-Backbone interact. energy: -0.494 local terms energy: -544.682085 where: bonds (distance) C4'-P energy: -114.238 bonds (distance) P-C4' energy: -117.271 flat angles C4'-P-C4' energy: -138.306 flat angles P-C4'-P energy: -87.858 tors. eta vs tors. theta energy: -87.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1355.024852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.024852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.024852 (E_RNA) where: Base-Base interactions energy: -842.643 where: short stacking energy: -391.420 Base-Backbone interact. energy: -1.023 local terms energy: -511.358761 where: bonds (distance) C4'-P energy: -109.617 bonds (distance) P-C4' energy: -132.729 flat angles C4'-P-C4' energy: -114.216 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: -91.018 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: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1215.173084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.173084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.173084 (E_RNA) where: Base-Base interactions energy: -767.634 where: short stacking energy: -349.065 Base-Backbone interact. energy: 0.908 local terms energy: -448.447043 where: bonds (distance) C4'-P energy: -114.008 bonds (distance) P-C4' energy: -119.768 flat angles C4'-P-C4' energy: -109.709 flat angles P-C4'-P energy: -52.026 tors. eta vs tors. theta energy: -52.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1020.379179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.379179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.379179 (E_RNA) where: Base-Base interactions energy: -566.811 where: short stacking energy: -281.742 Base-Backbone interact. energy: -3.148 local terms energy: -450.420193 where: bonds (distance) C4'-P energy: -96.072 bonds (distance) P-C4' energy: -128.417 flat angles C4'-P-C4' energy: -116.855 flat angles P-C4'-P energy: -72.941 tors. eta vs tors. theta energy: -36.135 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: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -598.813724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.813724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.813724 (E_RNA) where: Base-Base interactions energy: -263.078 where: short stacking energy: -176.912 Base-Backbone interact. energy: 2.072 local terms energy: -337.807544 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -104.906 flat angles C4'-P-C4' energy: -100.213 flat angles P-C4'-P energy: -40.783 tors. eta vs tors. theta energy: 4.016 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -522.329794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.329794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.329794 (E_RNA) where: Base-Base interactions energy: -176.218 where: short stacking energy: -130.111 Base-Backbone interact. energy: -1.949 local terms energy: -344.163186 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -122.885 flat angles C4'-P-C4' energy: -101.773 flat angles P-C4'-P energy: -48.365 tors. eta vs tors. theta energy: 28.455 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: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1983.002510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.002510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.002510 (E_RNA) where: Base-Base interactions energy: -1277.287 where: short stacking energy: -629.906 Base-Backbone interact. energy: -0.623 local terms energy: -705.092020 where: bonds (distance) C4'-P energy: -135.161 bonds (distance) P-C4' energy: -134.352 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -107.694 tors. eta vs tors. theta energy: -175.194 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: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1874.924293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.924293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.924293 (E_RNA) where: Base-Base interactions energy: -1233.264 where: short stacking energy: -566.804 Base-Backbone interact. energy: 0.698 local terms energy: -642.358177 where: bonds (distance) C4'-P energy: -131.501 bonds (distance) P-C4' energy: -118.543 flat angles C4'-P-C4' energy: -146.611 flat angles P-C4'-P energy: -93.942 tors. eta vs tors. theta energy: -151.761 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: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1942.309836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.309836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.309836 (E_RNA) where: Base-Base interactions energy: -1335.608 where: short stacking energy: -574.181 Base-Backbone interact. energy: 1.185 local terms energy: -607.886832 where: bonds (distance) C4'-P energy: -109.197 bonds (distance) P-C4' energy: -116.820 flat angles C4'-P-C4' energy: -145.328 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -149.820 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: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1742.672399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.672399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.672399 (E_RNA) where: Base-Base interactions energy: -1119.693 where: short stacking energy: -514.089 Base-Backbone interact. energy: -0.969 local terms energy: -622.011324 where: bonds (distance) C4'-P energy: -114.984 bonds (distance) P-C4' energy: -138.367 flat angles C4'-P-C4' energy: -140.960 flat angles P-C4'-P energy: -81.510 tors. eta vs tors. theta energy: -146.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1415.153805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.153805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.153805 (E_RNA) where: Base-Base interactions energy: -874.958 where: short stacking energy: -431.881 Base-Backbone interact. energy: -0.232 local terms energy: -539.963682 where: bonds (distance) C4'-P energy: -127.492 bonds (distance) P-C4' energy: -113.501 flat angles C4'-P-C4' energy: -121.327 flat angles P-C4'-P energy: -89.030 tors. eta vs tors. theta energy: -88.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1361.863250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.863250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.863250 (E_RNA) where: Base-Base interactions energy: -866.598 where: short stacking energy: -383.180 Base-Backbone interact. energy: 0.085 local terms energy: -495.350955 where: bonds (distance) C4'-P energy: -99.215 bonds (distance) P-C4' energy: -123.888 flat angles C4'-P-C4' energy: -121.460 flat angles P-C4'-P energy: -59.151 tors. eta vs tors. theta energy: -91.638 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1243.437415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.437415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.437415 (E_RNA) where: Base-Base interactions energy: -755.422 where: short stacking energy: -359.495 Base-Backbone interact. energy: -0.441 local terms energy: -487.575051 where: bonds (distance) C4'-P energy: -109.654 bonds (distance) P-C4' energy: -116.978 flat angles C4'-P-C4' energy: -119.477 flat angles P-C4'-P energy: -80.911 tors. eta vs tors. theta energy: -60.554 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: 36 Temperature: 1.250000 Total energy: -1028.673533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.673533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.673533 (E_RNA) where: Base-Base interactions energy: -582.060 where: short stacking energy: -256.942 Base-Backbone interact. energy: 1.744 local terms energy: -448.357000 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -119.432 flat angles C4'-P-C4' energy: -107.440 flat angles P-C4'-P energy: -76.770 tors. eta vs tors. theta energy: -41.524 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: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -730.617814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.617814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.617814 (E_RNA) where: Base-Base interactions energy: -369.369 where: short stacking energy: -219.461 Base-Backbone interact. energy: 4.028 local terms energy: -365.276804 where: bonds (distance) C4'-P energy: -88.811 bonds (distance) P-C4' energy: -124.806 flat angles C4'-P-C4' energy: -92.675 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: 4.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -496.538301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.538301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.538301 (E_RNA) where: Base-Base interactions energy: -171.332 where: short stacking energy: -149.995 Base-Backbone interact. energy: -0.255 local terms energy: -324.951263 where: bonds (distance) C4'-P energy: -102.180 bonds (distance) P-C4' energy: -93.730 flat angles C4'-P-C4' energy: -87.084 flat angles P-C4'-P energy: -71.202 tors. eta vs tors. theta energy: 29.245 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: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1977.531188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.531188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.531188 (E_RNA) where: Base-Base interactions energy: -1292.080 where: short stacking energy: -603.580 Base-Backbone interact. energy: -0.994 local terms energy: -684.457098 where: bonds (distance) C4'-P energy: -126.171 bonds (distance) P-C4' energy: -136.750 flat angles C4'-P-C4' energy: -149.815 flat angles P-C4'-P energy: -105.472 tors. eta vs tors. theta energy: -166.250 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: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2021.129322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.129322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.129322 (E_RNA) where: Base-Base interactions energy: -1364.069 where: short stacking energy: -573.706 Base-Backbone interact. energy: -1.808 local terms energy: -655.252503 where: bonds (distance) C4'-P energy: -140.315 bonds (distance) P-C4' energy: -124.622 flat angles C4'-P-C4' energy: -149.037 flat angles P-C4'-P energy: -89.815 tors. eta vs tors. theta energy: -151.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1829.776771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.776771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.776771 (E_RNA) where: Base-Base interactions energy: -1176.881 where: short stacking energy: -544.848 Base-Backbone interact. energy: -0.146 local terms energy: -652.749676 where: bonds (distance) C4'-P energy: -133.390 bonds (distance) P-C4' energy: -136.867 flat angles C4'-P-C4' energy: -139.832 flat angles P-C4'-P energy: -100.434 tors. eta vs tors. theta energy: -142.226 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: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1654.650288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.650288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.650288 (E_RNA) where: Base-Base interactions energy: -1063.862 where: short stacking energy: -489.138 Base-Backbone interact. energy: 0.677 local terms energy: -591.464777 where: bonds (distance) C4'-P energy: -120.900 bonds (distance) P-C4' energy: -135.207 flat angles C4'-P-C4' energy: -129.749 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -118.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1419.321186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.321186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.321186 (E_RNA) where: Base-Base interactions energy: -875.240 where: short stacking energy: -429.411 Base-Backbone interact. energy: -1.872 local terms energy: -542.209976 where: bonds (distance) C4'-P energy: -124.986 bonds (distance) P-C4' energy: -112.783 flat angles C4'-P-C4' energy: -132.764 flat angles P-C4'-P energy: -75.897 tors. eta vs tors. theta energy: -95.780 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: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1357.712075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.712075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.712075 (E_RNA) where: Base-Base interactions energy: -858.789 where: short stacking energy: -395.545 Base-Backbone interact. energy: 2.363 local terms energy: -501.285929 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -122.560 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -90.113 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: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1215.312322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.312322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.312322 (E_RNA) where: Base-Base interactions energy: -747.196 where: short stacking energy: -384.578 Base-Backbone interact. energy: 1.064 local terms energy: -469.179975 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -129.764 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -58.321 tors. eta vs tors. theta energy: -80.245 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: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1046.307193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.307193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.307193 (E_RNA) where: Base-Base interactions energy: -580.211 where: short stacking energy: -298.831 Base-Backbone interact. energy: -2.413 local terms energy: -463.683703 where: bonds (distance) C4'-P energy: -111.345 bonds (distance) P-C4' energy: -116.292 flat angles C4'-P-C4' energy: -106.542 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -57.120 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: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -712.426362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.426362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.426362 (E_RNA) where: Base-Base interactions energy: -334.968 where: short stacking energy: -198.893 Base-Backbone interact. energy: 1.143 local terms energy: -378.601309 where: bonds (distance) C4'-P energy: -118.702 bonds (distance) P-C4' energy: -102.300 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -63.818 tors. eta vs tors. theta energy: -1.370 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: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -499.997688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.997688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.997688 (E_RNA) where: Base-Base interactions energy: -157.479 where: short stacking energy: -142.806 Base-Backbone interact. energy: 1.281 local terms energy: -343.799778 where: bonds (distance) C4'-P energy: -103.036 bonds (distance) P-C4' energy: -109.798 flat angles C4'-P-C4' energy: -88.968 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: 24.911 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: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2076.497153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.497153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.497153 (E_RNA) where: Base-Base interactions energy: -1402.151 where: short stacking energy: -585.607 Base-Backbone interact. energy: -2.468 local terms energy: -671.878904 where: bonds (distance) C4'-P energy: -135.208 bonds (distance) P-C4' energy: -150.572 flat angles C4'-P-C4' energy: -150.521 flat angles P-C4'-P energy: -86.477 tors. eta vs tors. theta energy: -149.100 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: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1955.682013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.682013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.682013 (E_RNA) where: Base-Base interactions energy: -1294.836 where: short stacking energy: -623.108 Base-Backbone interact. energy: -2.025 local terms energy: -658.820505 where: bonds (distance) C4'-P energy: -118.940 bonds (distance) P-C4' energy: -126.669 flat angles C4'-P-C4' energy: -151.971 flat angles P-C4'-P energy: -83.777 tors. eta vs tors. theta energy: -177.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1830.917395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.917395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.917395 (E_RNA) where: Base-Base interactions energy: -1182.111 where: short stacking energy: -526.880 Base-Backbone interact. energy: -3.080 local terms energy: -645.726073 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -133.495 flat angles C4'-P-C4' energy: -135.687 flat angles P-C4'-P energy: -93.434 tors. eta vs tors. theta energy: -138.130 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: 4, replica: 4 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1719.360312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.360312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.360312 (E_RNA) where: Base-Base interactions energy: -1118.657 where: short stacking energy: -540.076 Base-Backbone interact. energy: -0.537 local terms energy: -600.166022 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -132.358 flat angles C4'-P-C4' energy: -127.413 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -143.310 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: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1397.325624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.325624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.325624 (E_RNA) where: Base-Base interactions energy: -870.657 where: short stacking energy: -391.846 Base-Backbone interact. energy: 3.788 local terms energy: -530.456847 where: bonds (distance) C4'-P energy: -116.417 bonds (distance) P-C4' energy: -118.534 flat angles C4'-P-C4' energy: -126.152 flat angles P-C4'-P energy: -92.403 tors. eta vs tors. theta energy: -76.951 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: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1299.981420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.981420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.981420 (E_RNA) where: Base-Base interactions energy: -780.712 where: short stacking energy: -361.293 Base-Backbone interact. energy: -0.627 local terms energy: -518.642255 where: bonds (distance) C4'-P energy: -105.358 bonds (distance) P-C4' energy: -111.418 flat angles C4'-P-C4' energy: -136.925 flat angles P-C4'-P energy: -89.662 tors. eta vs tors. theta energy: -75.279 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1214.410988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.410988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.410988 (E_RNA) where: Base-Base interactions energy: -756.897 where: short stacking energy: -355.959 Base-Backbone interact. energy: -0.815 local terms energy: -456.699276 where: bonds (distance) C4'-P energy: -110.282 bonds (distance) P-C4' energy: -113.124 flat angles C4'-P-C4' energy: -95.549 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -58.545 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: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1032.405036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.405036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.405036 (E_RNA) where: Base-Base interactions energy: -573.989 where: short stacking energy: -306.286 Base-Backbone interact. energy: 0.364 local terms energy: -458.779914 where: bonds (distance) C4'-P energy: -112.378 bonds (distance) P-C4' energy: -115.090 flat angles C4'-P-C4' energy: -116.688 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: -48.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -777.159074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.159074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.159074 (E_RNA) where: Base-Base interactions energy: -386.707 where: short stacking energy: -226.087 Base-Backbone interact. energy: -0.789 local terms energy: -389.663158 where: bonds (distance) C4'-P energy: -100.984 bonds (distance) P-C4' energy: -106.400 flat angles C4'-P-C4' energy: -113.264 flat angles P-C4'-P energy: -58.830 tors. eta vs tors. theta energy: -10.185 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: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -513.568320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.568320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.568320 (E_RNA) where: Base-Base interactions energy: -178.932 where: short stacking energy: -155.726 Base-Backbone interact. energy: -1.908 local terms energy: -332.729077 where: bonds (distance) C4'-P energy: -92.626 bonds (distance) P-C4' energy: -116.480 flat angles C4'-P-C4' energy: -100.630 flat angles P-C4'-P energy: -45.540 tors. eta vs tors. theta energy: 22.547 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: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2101.513655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.513655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.513655 (E_RNA) where: Base-Base interactions energy: -1440.652 where: short stacking energy: -605.095 Base-Backbone interact. energy: -1.436 local terms energy: -659.425962 where: bonds (distance) C4'-P energy: -125.652 bonds (distance) P-C4' energy: -136.618 flat angles C4'-P-C4' energy: -144.584 flat angles P-C4'-P energy: -79.674 tors. eta vs tors. theta energy: -172.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1930.315785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.315785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.315785 (E_RNA) where: Base-Base interactions energy: -1269.386 where: short stacking energy: -595.803 Base-Backbone interact. energy: -1.383 local terms energy: -659.547043 where: bonds (distance) C4'-P energy: -108.409 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -143.830 flat angles P-C4'-P energy: -92.247 tors. eta vs tors. theta energy: -176.801 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: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1777.919956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.919956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.919956 (E_RNA) where: Base-Base interactions energy: -1160.701 where: short stacking energy: -533.895 Base-Backbone interact. energy: 0.982 local terms energy: -618.200568 where: bonds (distance) C4'-P energy: -133.970 bonds (distance) P-C4' energy: -133.101 flat angles C4'-P-C4' energy: -125.098 flat angles P-C4'-P energy: -94.779 tors. eta vs tors. theta energy: -131.254 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: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1685.272200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.272200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.272200 (E_RNA) where: Base-Base interactions energy: -1107.207 where: short stacking energy: -498.937 Base-Backbone interact. energy: -0.628 local terms energy: -577.436878 where: bonds (distance) C4'-P energy: -136.206 bonds (distance) P-C4' energy: -120.944 flat angles C4'-P-C4' energy: -138.396 flat angles P-C4'-P energy: -56.273 tors. eta vs tors. theta energy: -125.618 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: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1443.620183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.620183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.620183 (E_RNA) where: Base-Base interactions energy: -904.952 where: short stacking energy: -446.320 Base-Backbone interact. energy: -0.251 local terms energy: -538.416896 where: bonds (distance) C4'-P energy: -115.750 bonds (distance) P-C4' energy: -129.888 flat angles C4'-P-C4' energy: -125.763 flat angles P-C4'-P energy: -76.796 tors. eta vs tors. theta energy: -90.219 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1306.559665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.559665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.559665 (E_RNA) where: Base-Base interactions energy: -814.449 where: short stacking energy: -401.692 Base-Backbone interact. energy: 2.776 local terms energy: -494.886341 where: bonds (distance) C4'-P energy: -113.599 bonds (distance) P-C4' energy: -110.404 flat angles C4'-P-C4' energy: -115.495 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -89.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1204.888807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.888807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.888807 (E_RNA) where: Base-Base interactions energy: -737.808 where: short stacking energy: -340.180 Base-Backbone interact. energy: 3.089 local terms energy: -470.169898 where: bonds (distance) C4'-P energy: -85.544 bonds (distance) P-C4' energy: -128.036 flat angles C4'-P-C4' energy: -115.222 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -69.853 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: 39 Temperature: 1.250000 Total energy: -1040.277735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.277735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.277735 (E_RNA) where: Base-Base interactions energy: -589.150 where: short stacking energy: -300.830 Base-Backbone interact. energy: -3.506 local terms energy: -447.622148 where: bonds (distance) C4'-P energy: -110.164 bonds (distance) P-C4' energy: -105.728 flat angles C4'-P-C4' energy: -111.844 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -51.757 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: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -790.794692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.794692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.794692 (E_RNA) where: Base-Base interactions energy: -382.019 where: short stacking energy: -227.078 Base-Backbone interact. energy: -0.164 local terms energy: -408.612192 where: bonds (distance) C4'-P energy: -105.459 bonds (distance) P-C4' energy: -116.491 flat angles C4'-P-C4' energy: -112.736 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -18.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -517.733682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.733682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.733682 (E_RNA) where: Base-Base interactions energy: -207.481 where: short stacking energy: -156.770 Base-Backbone interact. energy: 0.284 local terms energy: -310.536994 where: bonds (distance) C4'-P energy: -96.328 bonds (distance) P-C4' energy: -115.975 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -45.801 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: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2149.614756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.614756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.614756 (E_RNA) where: Base-Base interactions energy: -1507.333 where: short stacking energy: -613.397 Base-Backbone interact. energy: -6.592 local terms energy: -635.689982 where: bonds (distance) C4'-P energy: -117.803 bonds (distance) P-C4' energy: -123.154 flat angles C4'-P-C4' energy: -148.273 flat angles P-C4'-P energy: -85.936 tors. eta vs tors. theta energy: -160.524 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: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1921.281044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.281044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.281044 (E_RNA) where: Base-Base interactions energy: -1266.978 where: short stacking energy: -582.448 Base-Backbone interact. energy: -1.228 local terms energy: -653.075287 where: bonds (distance) C4'-P energy: -116.633 bonds (distance) P-C4' energy: -133.126 flat angles C4'-P-C4' energy: -126.983 flat angles P-C4'-P energy: -109.435 tors. eta vs tors. theta energy: -166.898 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: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1826.703894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.703894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.703894 (E_RNA) where: Base-Base interactions energy: -1205.552 where: short stacking energy: -533.641 Base-Backbone interact. energy: 1.223 local terms energy: -622.374133 where: bonds (distance) C4'-P energy: -130.599 bonds (distance) P-C4' energy: -119.145 flat angles C4'-P-C4' energy: -152.289 flat angles P-C4'-P energy: -82.288 tors. eta vs tors. theta energy: -138.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1725.384927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.384927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.384927 (E_RNA) where: Base-Base interactions energy: -1145.871 where: short stacking energy: -502.514 Base-Backbone interact. energy: -1.814 local terms energy: -577.699799 where: bonds (distance) C4'-P energy: -107.660 bonds (distance) P-C4' energy: -119.719 flat angles C4'-P-C4' energy: -152.044 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -127.418 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: 5, replica: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1444.109736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.109736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.109736 (E_RNA) where: Base-Base interactions energy: -873.119 where: short stacking energy: -424.991 Base-Backbone interact. energy: -1.576 local terms energy: -569.415447 where: bonds (distance) C4'-P energy: -118.298 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -134.571 flat angles P-C4'-P energy: -84.961 tors. eta vs tors. theta energy: -100.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1321.495007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.495007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.495007 (E_RNA) where: Base-Base interactions energy: -782.344 where: short stacking energy: -379.961 Base-Backbone interact. energy: 6.501 local terms energy: -545.652335 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -132.744 flat angles C4'-P-C4' energy: -134.823 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -94.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1263.183329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.183329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.183329 (E_RNA) where: Base-Base interactions energy: -811.035 where: short stacking energy: -383.211 Base-Backbone interact. energy: 3.719 local terms energy: -455.867764 where: bonds (distance) C4'-P energy: -73.377 bonds (distance) P-C4' energy: -110.818 flat angles C4'-P-C4' energy: -123.268 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: -62.261 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: 40 Temperature: 1.250000 Total energy: -1097.322981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.322981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.322981 (E_RNA) where: Base-Base interactions energy: -635.783 where: short stacking energy: -333.999 Base-Backbone interact. energy: -1.421 local terms energy: -460.118646 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -116.016 flat angles C4'-P-C4' energy: -112.679 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -50.293 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: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -830.959086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.959086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.959086 (E_RNA) where: Base-Base interactions energy: -444.438 where: short stacking energy: -230.129 Base-Backbone interact. energy: 3.505 local terms energy: -390.026275 where: bonds (distance) C4'-P energy: -98.954 bonds (distance) P-C4' energy: -116.783 flat angles C4'-P-C4' energy: -93.871 flat angles P-C4'-P energy: -75.776 tors. eta vs tors. theta energy: -4.642 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -581.594098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.594098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.594098 (E_RNA) where: Base-Base interactions energy: -224.205 where: short stacking energy: -166.099 Base-Backbone interact. energy: 1.478 local terms energy: -358.866684 where: bonds (distance) C4'-P energy: -109.171 bonds (distance) P-C4' energy: -117.135 flat angles C4'-P-C4' energy: -95.165 flat angles P-C4'-P energy: -38.858 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2164.362443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.362443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.362443 (E_RNA) where: Base-Base interactions energy: -1501.713 where: short stacking energy: -629.542 Base-Backbone interact. energy: -1.004 local terms energy: -661.645410 where: bonds (distance) C4'-P energy: -141.433 bonds (distance) P-C4' energy: -134.526 flat angles C4'-P-C4' energy: -141.300 flat angles P-C4'-P energy: -89.194 tors. eta vs tors. theta energy: -155.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1936.149145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.149145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.149145 (E_RNA) where: Base-Base interactions energy: -1272.477 where: short stacking energy: -582.355 Base-Backbone interact. energy: -1.869 local terms energy: -661.803063 where: bonds (distance) C4'-P energy: -130.162 bonds (distance) P-C4' energy: -141.389 flat angles C4'-P-C4' energy: -134.128 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -171.129 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: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1848.409573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.409573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.409573 (E_RNA) where: Base-Base interactions energy: -1220.027 where: short stacking energy: -546.466 Base-Backbone interact. energy: -2.791 local terms energy: -625.591888 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -122.060 flat angles C4'-P-C4' energy: -143.170 flat angles P-C4'-P energy: -84.884 tors. eta vs tors. theta energy: -144.015 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: 41 Temperature: 1.050000 Total energy: -1660.850510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.850510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.850510 (E_RNA) where: Base-Base interactions energy: -1055.491 where: short stacking energy: -490.419 Base-Backbone interact. energy: -4.174 local terms energy: -601.185200 where: bonds (distance) C4'-P energy: -109.109 bonds (distance) P-C4' energy: -114.845 flat angles C4'-P-C4' energy: -145.641 flat angles P-C4'-P energy: -92.815 tors. eta vs tors. theta energy: -138.775 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: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1477.455257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.455257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.455257 (E_RNA) where: Base-Base interactions energy: -951.719 where: short stacking energy: -466.101 Base-Backbone interact. energy: -1.926 local terms energy: -523.810050 where: bonds (distance) C4'-P energy: -119.745 bonds (distance) P-C4' energy: -120.104 flat angles C4'-P-C4' energy: -112.093 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -98.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1381.508662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.508662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.508662 (E_RNA) where: Base-Base interactions energy: -860.668 where: short stacking energy: -404.084 Base-Backbone interact. energy: 3.423 local terms energy: -524.264065 where: bonds (distance) C4'-P energy: -103.973 bonds (distance) P-C4' energy: -112.246 flat angles C4'-P-C4' energy: -125.561 flat angles P-C4'-P energy: -76.125 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1247.371477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.371477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.371477 (E_RNA) where: Base-Base interactions energy: -751.625 where: short stacking energy: -370.807 Base-Backbone interact. energy: -1.832 local terms energy: -493.914286 where: bonds (distance) C4'-P energy: -113.162 bonds (distance) P-C4' energy: -107.986 flat angles C4'-P-C4' energy: -130.109 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -72.993 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: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1025.839396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.839396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.839396 (E_RNA) where: Base-Base interactions energy: -564.604 where: short stacking energy: -287.910 Base-Backbone interact. energy: -2.534 local terms energy: -458.701284 where: bonds (distance) C4'-P energy: -127.496 bonds (distance) P-C4' energy: -129.464 flat angles C4'-P-C4' energy: -92.035 flat angles P-C4'-P energy: -61.652 tors. eta vs tors. theta energy: -48.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -872.789486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.789486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.789486 (E_RNA) where: Base-Base interactions energy: -442.609 where: short stacking energy: -215.395 Base-Backbone interact. energy: 7.725 local terms energy: -437.905759 where: bonds (distance) C4'-P energy: -126.136 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -109.525 flat angles P-C4'-P energy: -59.897 tors. eta vs tors. theta energy: -14.014 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: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -529.483514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.483514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.483514 (E_RNA) where: Base-Base interactions energy: -217.392 where: short stacking energy: -156.485 Base-Backbone interact. energy: 7.288 local terms energy: -319.378695 where: bonds (distance) C4'-P energy: -107.151 bonds (distance) P-C4' energy: -116.322 flat angles C4'-P-C4' energy: -70.204 flat angles P-C4'-P energy: -56.620 tors. eta vs tors. theta energy: 30.919 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: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2161.117988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.117988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.117988 (E_RNA) where: Base-Base interactions energy: -1481.420 where: short stacking energy: -631.442 Base-Backbone interact. energy: -4.484 local terms energy: -675.213870 where: bonds (distance) C4'-P energy: -128.315 bonds (distance) P-C4' energy: -140.107 flat angles C4'-P-C4' energy: -144.341 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -167.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1935.069228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.069228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.069228 (E_RNA) where: Base-Base interactions energy: -1278.763 where: short stacking energy: -584.115 Base-Backbone interact. energy: -2.769 local terms energy: -653.537209 where: bonds (distance) C4'-P energy: -127.317 bonds (distance) P-C4' energy: -130.058 flat angles C4'-P-C4' energy: -146.199 flat angles P-C4'-P energy: -97.071 tors. eta vs tors. theta energy: -152.892 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: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1840.021036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.021036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.021036 (E_RNA) where: Base-Base interactions energy: -1229.547 where: short stacking energy: -535.983 Base-Backbone interact. energy: -2.703 local terms energy: -607.771532 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -125.293 flat angles C4'-P-C4' energy: -135.782 flat angles P-C4'-P energy: -96.269 tors. eta vs tors. theta energy: -128.311 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: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1581.380875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.380875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.380875 (E_RNA) where: Base-Base interactions energy: -1035.849 where: short stacking energy: -469.975 Base-Backbone interact. energy: 1.010 local terms energy: -546.541635 where: bonds (distance) C4'-P energy: -110.411 bonds (distance) P-C4' energy: -121.026 flat angles C4'-P-C4' energy: -123.383 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -106.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1530.603760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.603760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.603760 (E_RNA) where: Base-Base interactions energy: -973.897 where: short stacking energy: -484.109 Base-Backbone interact. energy: 1.846 local terms energy: -558.553508 where: bonds (distance) C4'-P energy: -119.554 bonds (distance) P-C4' energy: -121.425 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -122.209 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: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1427.130691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.130691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.130691 (E_RNA) where: Base-Base interactions energy: -875.313 where: short stacking energy: -405.356 Base-Backbone interact. energy: -0.641 local terms energy: -551.176595 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -109.997 flat angles C4'-P-C4' energy: -139.819 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -93.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1292.275161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.275161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.275161 (E_RNA) where: Base-Base interactions energy: -779.892 where: short stacking energy: -351.856 Base-Backbone interact. energy: -3.341 local terms energy: -509.041741 where: bonds (distance) C4'-P energy: -105.756 bonds (distance) P-C4' energy: -112.049 flat angles C4'-P-C4' energy: -130.645 flat angles P-C4'-P energy: -81.644 tors. eta vs tors. theta energy: -78.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1065.241021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.241021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.241021 (E_RNA) where: Base-Base interactions energy: -630.015 where: short stacking energy: -304.403 Base-Backbone interact. energy: 0.905 local terms energy: -436.130530 where: bonds (distance) C4'-P energy: -98.545 bonds (distance) P-C4' energy: -135.166 flat angles C4'-P-C4' energy: -117.469 flat angles P-C4'-P energy: -50.148 tors. eta vs tors. theta energy: -34.802 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: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -925.324777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.324777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.324777 (E_RNA) where: Base-Base interactions energy: -512.702 where: short stacking energy: -284.027 Base-Backbone interact. energy: 0.265 local terms energy: -412.887547 where: bonds (distance) C4'-P energy: -113.782 bonds (distance) P-C4' energy: -106.090 flat angles C4'-P-C4' energy: -113.366 flat angles P-C4'-P energy: -54.236 tors. eta vs tors. theta energy: -25.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -527.074833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.074833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.074833 (E_RNA) where: Base-Base interactions energy: -213.971 where: short stacking energy: -167.928 Base-Backbone interact. energy: -0.171 local terms energy: -312.933355 where: bonds (distance) C4'-P energy: -107.918 bonds (distance) P-C4' energy: -100.053 flat angles C4'-P-C4' energy: -79.296 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: 14.336 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: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2186.786843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.786843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.786843 (E_RNA) where: Base-Base interactions energy: -1508.786 where: short stacking energy: -611.736 Base-Backbone interact. energy: -4.695 local terms energy: -673.306069 where: bonds (distance) C4'-P energy: -146.599 bonds (distance) P-C4' energy: -126.347 flat angles C4'-P-C4' energy: -148.638 flat angles P-C4'-P energy: -93.456 tors. eta vs tors. theta energy: -158.267 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: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1967.377560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.377560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.377560 (E_RNA) where: Base-Base interactions energy: -1304.573 where: short stacking energy: -592.126 Base-Backbone interact. energy: -3.543 local terms energy: -659.261596 where: bonds (distance) C4'-P energy: -124.000 bonds (distance) P-C4' energy: -134.068 flat angles C4'-P-C4' energy: -150.915 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -173.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1821.932688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.932688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.932688 (E_RNA) where: Base-Base interactions energy: -1209.068 where: short stacking energy: -541.904 Base-Backbone interact. energy: -1.032 local terms energy: -611.832545 where: bonds (distance) C4'-P energy: -121.103 bonds (distance) P-C4' energy: -124.559 flat angles C4'-P-C4' energy: -157.475 flat angles P-C4'-P energy: -67.549 tors. eta vs tors. theta energy: -141.147 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: 43 Temperature: 1.050000 Total energy: -1615.741928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.741928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.741928 (E_RNA) where: Base-Base interactions energy: -1063.663 where: short stacking energy: -461.692 Base-Backbone interact. energy: 3.042 local terms energy: -555.120789 where: bonds (distance) C4'-P energy: -124.478 bonds (distance) P-C4' energy: -114.381 flat angles C4'-P-C4' energy: -136.278 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -107.595 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1522.374831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.374831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.374831 (E_RNA) where: Base-Base interactions energy: -991.819 where: short stacking energy: -435.519 Base-Backbone interact. energy: -3.556 local terms energy: -526.999540 where: bonds (distance) C4'-P energy: -111.279 bonds (distance) P-C4' energy: -111.996 flat angles C4'-P-C4' energy: -121.890 flat angles P-C4'-P energy: -86.053 tors. eta vs tors. theta energy: -95.781 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: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1394.081990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.081990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.081990 (E_RNA) where: Base-Base interactions energy: -870.942 where: short stacking energy: -436.989 Base-Backbone interact. energy: 2.916 local terms energy: -526.056402 where: bonds (distance) C4'-P energy: -104.199 bonds (distance) P-C4' energy: -144.680 flat angles C4'-P-C4' energy: -111.874 flat angles P-C4'-P energy: -69.772 tors. eta vs tors. theta energy: -95.532 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: 7, replica: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1268.269844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.269844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.269844 (E_RNA) where: Base-Base interactions energy: -781.995 where: short stacking energy: -351.685 Base-Backbone interact. energy: -1.908 local terms energy: -484.366498 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -118.090 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -69.631 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: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -943.579721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.579721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.579721 (E_RNA) where: Base-Base interactions energy: -527.323 where: short stacking energy: -269.357 Base-Backbone interact. energy: 0.076 local terms energy: -416.333049 where: bonds (distance) C4'-P energy: -119.371 bonds (distance) P-C4' energy: -99.442 flat angles C4'-P-C4' energy: -116.319 flat angles P-C4'-P energy: -61.681 tors. eta vs tors. theta energy: -19.519 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: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -872.289829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.289829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.289829 (E_RNA) where: Base-Base interactions energy: -488.638 where: short stacking energy: -270.460 Base-Backbone interact. energy: -1.704 local terms energy: -381.948551 where: bonds (distance) C4'-P energy: -104.168 bonds (distance) P-C4' energy: -111.629 flat angles C4'-P-C4' energy: -96.163 flat angles P-C4'-P energy: -52.029 tors. eta vs tors. theta energy: -17.959 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: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -561.418776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.418776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.418776 (E_RNA) where: Base-Base interactions energy: -221.142 where: short stacking energy: -180.058 Base-Backbone interact. energy: -0.930 local terms energy: -339.347050 where: bonds (distance) C4'-P energy: -99.252 bonds (distance) P-C4' energy: -111.858 flat angles C4'-P-C4' energy: -88.598 flat angles P-C4'-P energy: -57.190 tors. eta vs tors. theta energy: 17.551 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: 44 Temperature: 0.900000 Total energy: -2171.393104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.393104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.393104 (E_RNA) where: Base-Base interactions energy: -1490.531 where: short stacking energy: -618.075 Base-Backbone interact. energy: -3.126 local terms energy: -677.736479 where: bonds (distance) C4'-P energy: -124.251 bonds (distance) P-C4' energy: -140.414 flat angles C4'-P-C4' energy: -155.816 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -165.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1972.532564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.532564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.532564 (E_RNA) where: Base-Base interactions energy: -1323.016 where: short stacking energy: -594.195 Base-Backbone interact. energy: -2.109 local terms energy: -647.408217 where: bonds (distance) C4'-P energy: -107.779 bonds (distance) P-C4' energy: -125.530 flat angles C4'-P-C4' energy: -146.108 flat angles P-C4'-P energy: -98.387 tors. eta vs tors. theta energy: -169.605 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: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1823.153975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.153975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.153975 (E_RNA) where: Base-Base interactions energy: -1187.726 where: short stacking energy: -553.238 Base-Backbone interact. energy: -1.520 local terms energy: -633.908234 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -147.466 flat angles P-C4'-P energy: -94.062 tors. eta vs tors. theta energy: -149.572 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: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1658.561826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.561826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.561826 (E_RNA) where: Base-Base interactions energy: -1063.550 where: short stacking energy: -470.800 Base-Backbone interact. energy: -4.474 local terms energy: -590.537922 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -138.694 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -103.409 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: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1520.308778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.308778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.308778 (E_RNA) where: Base-Base interactions energy: -970.259 where: short stacking energy: -460.034 Base-Backbone interact. energy: -1.648 local terms energy: -548.401537 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -126.708 flat angles P-C4'-P energy: -77.861 tors. eta vs tors. theta energy: -105.927 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: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1361.165398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.165398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.165398 (E_RNA) where: Base-Base interactions energy: -854.551 where: short stacking energy: -410.500 Base-Backbone interact. energy: -2.132 local terms energy: -504.482300 where: bonds (distance) C4'-P energy: -89.760 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -128.315 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -84.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1305.080493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.080493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.080493 (E_RNA) where: Base-Base interactions energy: -839.094 where: short stacking energy: -384.214 Base-Backbone interact. energy: -0.142 local terms energy: -465.843705 where: bonds (distance) C4'-P energy: -100.418 bonds (distance) P-C4' energy: -122.787 flat angles C4'-P-C4' energy: -112.777 flat angles P-C4'-P energy: -53.287 tors. eta vs tors. theta energy: -76.574 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: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -904.618320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.618320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.618320 (E_RNA) where: Base-Base interactions energy: -508.225 where: short stacking energy: -268.823 Base-Backbone interact. energy: 0.729 local terms energy: -397.122434 where: bonds (distance) C4'-P energy: -116.190 bonds (distance) P-C4' energy: -117.004 flat angles C4'-P-C4' energy: -105.630 flat angles P-C4'-P energy: -52.668 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -852.038849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.038849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.038849 (E_RNA) where: Base-Base interactions energy: -462.263 where: short stacking energy: -224.561 Base-Backbone interact. energy: -3.733 local terms energy: -386.042537 where: bonds (distance) C4'-P energy: -93.374 bonds (distance) P-C4' energy: -109.870 flat angles C4'-P-C4' energy: -102.427 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: -10.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -572.650984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.650984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.650984 (E_RNA) where: Base-Base interactions energy: -210.837 where: short stacking energy: -167.024 Base-Backbone interact. energy: 3.032 local terms energy: -364.845026 where: bonds (distance) C4'-P energy: -95.777 bonds (distance) P-C4' energy: -120.861 flat angles C4'-P-C4' energy: -98.167 flat angles P-C4'-P energy: -51.166 tors. eta vs tors. theta energy: 1.126 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: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2188.604954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.604954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.604954 (E_RNA) where: Base-Base interactions energy: -1522.906 where: short stacking energy: -629.717 Base-Backbone interact. energy: -2.146 local terms energy: -663.552675 where: bonds (distance) C4'-P energy: -122.126 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -147.448 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -163.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1983.971367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.971367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.971367 (E_RNA) where: Base-Base interactions energy: -1323.771 where: short stacking energy: -602.099 Base-Backbone interact. energy: -2.472 local terms energy: -657.728221 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -131.296 flat angles C4'-P-C4' energy: -144.876 flat angles P-C4'-P energy: -91.518 tors. eta vs tors. theta energy: -177.589 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: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1821.098192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.098192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.098192 (E_RNA) where: Base-Base interactions energy: -1179.459 where: short stacking energy: -551.433 Base-Backbone interact. energy: -3.899 local terms energy: -637.739945 where: bonds (distance) C4'-P energy: -138.111 bonds (distance) P-C4' energy: -126.363 flat angles C4'-P-C4' energy: -145.090 flat angles P-C4'-P energy: -95.817 tors. eta vs tors. theta energy: -132.359 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: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1568.438210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.438210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.438210 (E_RNA) where: Base-Base interactions energy: -1019.686 where: short stacking energy: -467.978 Base-Backbone interact. energy: -3.514 local terms energy: -545.238586 where: bonds (distance) C4'-P energy: -112.129 bonds (distance) P-C4' energy: -116.714 flat angles C4'-P-C4' energy: -120.079 flat angles P-C4'-P energy: -84.452 tors. eta vs tors. theta energy: -111.864 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: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1509.039400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.039400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.039400 (E_RNA) where: Base-Base interactions energy: -930.694 where: short stacking energy: -451.234 Base-Backbone interact. energy: -0.909 local terms energy: -577.436246 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -123.911 flat angles P-C4'-P energy: -87.895 tors. eta vs tors. theta energy: -112.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1323.312070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.312070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.312070 (E_RNA) where: Base-Base interactions energy: -812.124 where: short stacking energy: -374.877 Base-Backbone interact. energy: 2.455 local terms energy: -513.643131 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -135.905 flat angles C4'-P-C4' energy: -128.483 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -69.318 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: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1336.372365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.372365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.372365 (E_RNA) where: Base-Base interactions energy: -856.262 where: short stacking energy: -366.919 Base-Backbone interact. energy: -1.859 local terms energy: -478.251914 where: bonds (distance) C4'-P energy: -107.498 bonds (distance) P-C4' energy: -125.825 flat angles C4'-P-C4' energy: -93.051 flat angles P-C4'-P energy: -75.921 tors. eta vs tors. theta energy: -75.958 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: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -927.648364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.648364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.648364 (E_RNA) where: Base-Base interactions energy: -513.175 where: short stacking energy: -263.358 Base-Backbone interact. energy: 0.606 local terms energy: -415.078633 where: bonds (distance) C4'-P energy: -89.457 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -31.051 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: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -894.849080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.849080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.849080 (E_RNA) where: Base-Base interactions energy: -504.362 where: short stacking energy: -283.828 Base-Backbone interact. energy: -1.410 local terms energy: -389.076768 where: bonds (distance) C4'-P energy: -93.157 bonds (distance) P-C4' energy: -113.977 flat angles C4'-P-C4' energy: -104.026 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -35.978 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: 10, replica: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -589.297410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.297410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.297410 (E_RNA) where: Base-Base interactions energy: -224.987 where: short stacking energy: -144.339 Base-Backbone interact. energy: 0.250 local terms energy: -364.560589 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -85.176 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: 2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2207.865745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.865745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.865745 (E_RNA) where: Base-Base interactions energy: -1526.892 where: short stacking energy: -618.197 Base-Backbone interact. energy: -1.793 local terms energy: -679.181152 where: bonds (distance) C4'-P energy: -136.425 bonds (distance) P-C4' energy: -138.847 flat angles C4'-P-C4' energy: -147.397 flat angles P-C4'-P energy: -92.714 tors. eta vs tors. theta energy: -163.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2000.188500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.188500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.188500 (E_RNA) where: Base-Base interactions energy: -1335.197 where: short stacking energy: -610.269 Base-Backbone interact. energy: -4.051 local terms energy: -660.940595 where: bonds (distance) C4'-P energy: -123.019 bonds (distance) P-C4' energy: -119.746 flat angles C4'-P-C4' energy: -146.588 flat angles P-C4'-P energy: -101.874 tors. eta vs tors. theta energy: -169.713 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: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1789.742401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.742401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.742401 (E_RNA) where: Base-Base interactions energy: -1157.637 where: short stacking energy: -544.914 Base-Backbone interact. energy: -5.913 local terms energy: -626.193024 where: bonds (distance) C4'-P energy: -111.122 bonds (distance) P-C4' energy: -136.327 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -95.416 tors. eta vs tors. theta energy: -140.524 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: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1614.310001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.310001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.310001 (E_RNA) where: Base-Base interactions energy: -1055.671 where: short stacking energy: -506.306 Base-Backbone interact. energy: -3.264 local terms energy: -555.375889 where: bonds (distance) C4'-P energy: -118.174 bonds (distance) P-C4' energy: -118.360 flat angles C4'-P-C4' energy: -133.392 flat angles P-C4'-P energy: -67.613 tors. eta vs tors. theta energy: -117.837 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1525.643471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.643471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.643471 (E_RNA) where: Base-Base interactions energy: -966.948 where: short stacking energy: -418.762 Base-Backbone interact. energy: 0.916 local terms energy: -559.611934 where: bonds (distance) C4'-P energy: -105.590 bonds (distance) P-C4' energy: -127.022 flat angles C4'-P-C4' energy: -136.174 flat angles P-C4'-P energy: -96.962 tors. eta vs tors. theta energy: -93.864 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: 6, replica: 7 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1318.153952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.153952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.153952 (E_RNA) where: Base-Base interactions energy: -804.266 where: short stacking energy: -401.941 Base-Backbone interact. energy: 2.722 local terms energy: -516.609838 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -117.304 flat angles C4'-P-C4' energy: -123.178 flat angles P-C4'-P energy: -81.131 tors. eta vs tors. theta energy: -82.435 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: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1391.721694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.721694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.721694 (E_RNA) where: Base-Base interactions energy: -880.812 where: short stacking energy: -402.483 Base-Backbone interact. energy: 0.409 local terms energy: -511.318725 where: bonds (distance) C4'-P energy: -117.339 bonds (distance) P-C4' energy: -113.158 flat angles C4'-P-C4' energy: -118.646 flat angles P-C4'-P energy: -76.062 tors. eta vs tors. theta energy: -86.114 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: 8, replica: 6 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -966.889048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.889048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.889048 (E_RNA) where: Base-Base interactions energy: -514.778 where: short stacking energy: -289.491 Base-Backbone interact. energy: -2.815 local terms energy: -449.296376 where: bonds (distance) C4'-P energy: -126.501 bonds (distance) P-C4' energy: -109.723 flat angles C4'-P-C4' energy: -96.333 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -44.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1008.414930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.414930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.414930 (E_RNA) where: Base-Base interactions energy: -571.290 where: short stacking energy: -296.814 Base-Backbone interact. energy: -0.462 local terms energy: -436.662886 where: bonds (distance) C4'-P energy: -106.298 bonds (distance) P-C4' energy: -112.955 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -41.776 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: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -550.240617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.240617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.240617 (E_RNA) where: Base-Base interactions energy: -237.330 where: short stacking energy: -171.418 Base-Backbone interact. energy: -0.350 local terms energy: -312.561127 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -116.881 flat angles C4'-P-C4' energy: -86.575 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: 49.356 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: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2165.696020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.696020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.696020 (E_RNA) where: Base-Base interactions energy: -1487.493 where: short stacking energy: -637.472 Base-Backbone interact. energy: -3.517 local terms energy: -674.685118 where: bonds (distance) C4'-P energy: -133.175 bonds (distance) P-C4' energy: -127.180 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -99.414 tors. eta vs tors. theta energy: -167.678 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: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1996.175290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.175290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.175290 (E_RNA) where: Base-Base interactions energy: -1330.604 where: short stacking energy: -600.015 Base-Backbone interact. energy: -3.932 local terms energy: -661.639617 where: bonds (distance) C4'-P energy: -121.137 bonds (distance) P-C4' energy: -126.782 flat angles C4'-P-C4' energy: -142.982 flat angles P-C4'-P energy: -101.390 tors. eta vs tors. theta energy: -169.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1818.790846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.790846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.790846 (E_RNA) where: Base-Base interactions energy: -1210.239 where: short stacking energy: -528.036 Base-Backbone interact. energy: -1.203 local terms energy: -607.348795 where: bonds (distance) C4'-P energy: -114.856 bonds (distance) P-C4' energy: -130.446 flat angles C4'-P-C4' energy: -136.558 flat angles P-C4'-P energy: -84.464 tors. eta vs tors. theta energy: -141.025 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: 4, replica: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1652.212684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.212684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.212684 (E_RNA) where: Base-Base interactions energy: -1071.280 where: short stacking energy: -505.682 Base-Backbone interact. energy: -0.674 local terms energy: -580.259213 where: bonds (distance) C4'-P energy: -125.056 bonds (distance) P-C4' energy: -127.981 flat angles C4'-P-C4' energy: -126.179 flat angles P-C4'-P energy: -75.403 tors. eta vs tors. theta energy: -125.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1548.459201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.459201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.459201 (E_RNA) where: Base-Base interactions energy: -969.715 where: short stacking energy: -473.530 Base-Backbone interact. energy: -0.865 local terms energy: -577.879394 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -128.119 flat angles C4'-P-C4' energy: -132.693 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -114.904 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: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1444.307453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.307453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.307453 (E_RNA) where: Base-Base interactions energy: -912.299 where: short stacking energy: -418.296 Base-Backbone interact. energy: -1.204 local terms energy: -530.804579 where: bonds (distance) C4'-P energy: -117.303 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -119.920 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -105.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1272.067401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.067401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.067401 (E_RNA) where: Base-Base interactions energy: -799.959 where: short stacking energy: -369.100 Base-Backbone interact. energy: 6.125 local terms energy: -478.233918 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -114.081 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -63.051 tors. eta vs tors. theta energy: -85.056 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: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1068.754655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.754655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.754655 (E_RNA) where: Base-Base interactions energy: -613.213 where: short stacking energy: -329.370 Base-Backbone interact. energy: 1.788 local terms energy: -457.330015 where: bonds (distance) C4'-P energy: -98.312 bonds (distance) P-C4' energy: -127.623 flat angles C4'-P-C4' energy: -115.158 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -46.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -904.213116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.213116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.213116 (E_RNA) where: Base-Base interactions energy: -468.527 where: short stacking energy: -273.702 Base-Backbone interact. energy: 0.368 local terms energy: -436.054006 where: bonds (distance) C4'-P energy: -121.005 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -114.865 flat angles P-C4'-P energy: -60.357 tors. eta vs tors. theta energy: -31.386 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: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -561.298391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.298391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.298391 (E_RNA) where: Base-Base interactions energy: -231.125 where: short stacking energy: -165.170 Base-Backbone interact. energy: -0.822 local terms energy: -329.351149 where: bonds (distance) C4'-P energy: -94.332 bonds (distance) P-C4' energy: -96.710 flat angles C4'-P-C4' energy: -89.862 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: 10.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2145.796292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.796292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.796292 (E_RNA) where: Base-Base interactions energy: -1471.985 where: short stacking energy: -623.849 Base-Backbone interact. energy: -6.614 local terms energy: -667.197697 where: bonds (distance) C4'-P energy: -129.021 bonds (distance) P-C4' energy: -128.370 flat angles C4'-P-C4' energy: -150.230 flat angles P-C4'-P energy: -91.428 tors. eta vs tors. theta energy: -168.149 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: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1977.514966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.514966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.514966 (E_RNA) where: Base-Base interactions energy: -1299.847 where: short stacking energy: -572.514 Base-Backbone interact. energy: -3.815 local terms energy: -673.853337 where: bonds (distance) C4'-P energy: -130.253 bonds (distance) P-C4' energy: -131.153 flat angles C4'-P-C4' energy: -153.526 flat angles P-C4'-P energy: -94.517 tors. eta vs tors. theta energy: -164.403 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: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1801.927580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.927580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.927580 (E_RNA) where: Base-Base interactions energy: -1152.560 where: short stacking energy: -549.538 Base-Backbone interact. energy: -3.838 local terms energy: -645.529779 where: bonds (distance) C4'-P energy: -121.823 bonds (distance) P-C4' energy: -132.264 flat angles C4'-P-C4' energy: -147.450 flat angles P-C4'-P energy: -100.767 tors. eta vs tors. theta energy: -143.226 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1666.233485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.233485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.233485 (E_RNA) where: Base-Base interactions energy: -1070.415 where: short stacking energy: -498.251 Base-Backbone interact. energy: -0.822 local terms energy: -594.996191 where: bonds (distance) C4'-P energy: -130.962 bonds (distance) P-C4' energy: -125.134 flat angles C4'-P-C4' energy: -114.993 flat angles P-C4'-P energy: -88.526 tors. eta vs tors. theta energy: -135.381 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: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1644.762589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.762589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.762589 (E_RNA) where: Base-Base interactions energy: -1053.891 where: short stacking energy: -504.040 Base-Backbone interact. energy: -1.094 local terms energy: -589.778269 where: bonds (distance) C4'-P energy: -117.694 bonds (distance) P-C4' energy: -134.949 flat angles C4'-P-C4' energy: -122.439 flat angles P-C4'-P energy: -84.600 tors. eta vs tors. theta energy: -130.097 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: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1481.955592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.955592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.955592 (E_RNA) where: Base-Base interactions energy: -949.073 where: short stacking energy: -413.922 Base-Backbone interact. energy: 4.237 local terms energy: -537.120307 where: bonds (distance) C4'-P energy: -114.082 bonds (distance) P-C4' energy: -115.152 flat angles C4'-P-C4' energy: -118.491 flat angles P-C4'-P energy: -89.121 tors. eta vs tors. theta energy: -100.274 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: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1266.791296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.791296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.791296 (E_RNA) where: Base-Base interactions energy: -765.265 where: short stacking energy: -363.377 Base-Backbone interact. energy: -1.359 local terms energy: -500.167451 where: bonds (distance) C4'-P energy: -120.104 bonds (distance) P-C4' energy: -119.830 flat angles C4'-P-C4' energy: -121.693 flat angles P-C4'-P energy: -64.915 tors. eta vs tors. theta energy: -73.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1080.897157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.897157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.897157 (E_RNA) where: Base-Base interactions energy: -639.620 where: short stacking energy: -322.472 Base-Backbone interact. energy: 1.694 local terms energy: -442.971173 where: bonds (distance) C4'-P energy: -115.775 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -103.511 flat angles P-C4'-P energy: -59.560 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: 9, replica: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -844.791360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.791360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.791360 (E_RNA) where: Base-Base interactions energy: -478.072 where: short stacking energy: -255.515 Base-Backbone interact. energy: -2.252 local terms energy: -364.467660 where: bonds (distance) C4'-P energy: -88.242 bonds (distance) P-C4' energy: -105.449 flat angles C4'-P-C4' energy: -92.426 flat angles P-C4'-P energy: -58.916 tors. eta vs tors. theta energy: -19.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -610.998546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.998546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.998546 (E_RNA) where: Base-Base interactions energy: -267.211 where: short stacking energy: -177.720 Base-Backbone interact. energy: -2.683 local terms energy: -341.105147 where: bonds (distance) C4'-P energy: -92.171 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -90.772 flat angles P-C4'-P energy: -48.857 tors. eta vs tors. theta energy: 7.072 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: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2195.862554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.862554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.862554 (E_RNA) where: Base-Base interactions energy: -1500.282 where: short stacking energy: -622.754 Base-Backbone interact. energy: -3.494 local terms energy: -692.086516 where: bonds (distance) C4'-P energy: -120.485 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -148.942 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: -174.797 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: 1 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2013.176324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.176324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.176324 (E_RNA) where: Base-Base interactions energy: -1360.574 where: short stacking energy: -598.058 Base-Backbone interact. energy: -4.144 local terms energy: -648.458305 where: bonds (distance) C4'-P energy: -110.413 bonds (distance) P-C4' energy: -129.634 flat angles C4'-P-C4' energy: -141.468 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -183.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1834.274657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.274657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.274657 (E_RNA) where: Base-Base interactions energy: -1209.679 where: short stacking energy: -546.237 Base-Backbone interact. energy: 1.501 local terms energy: -626.095881 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -130.284 flat angles C4'-P-C4' energy: -131.830 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -149.869 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: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1752.161008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.161008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.161008 (E_RNA) where: Base-Base interactions energy: -1134.222 where: short stacking energy: -509.031 Base-Backbone interact. energy: -1.239 local terms energy: -616.700820 where: bonds (distance) C4'-P energy: -130.003 bonds (distance) P-C4' energy: -109.594 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -147.031 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: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1563.674772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.674772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.674772 (E_RNA) where: Base-Base interactions energy: -990.073 where: short stacking energy: -448.696 Base-Backbone interact. energy: -2.523 local terms energy: -571.079544 where: bonds (distance) C4'-P energy: -118.124 bonds (distance) P-C4' energy: -141.889 flat angles C4'-P-C4' energy: -134.414 flat angles P-C4'-P energy: -75.835 tors. eta vs tors. theta energy: -100.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1525.521015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.521015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.521015 (E_RNA) where: Base-Base interactions energy: -990.956 where: short stacking energy: -433.942 Base-Backbone interact. energy: 4.157 local terms energy: -538.722283 where: bonds (distance) C4'-P energy: -109.181 bonds (distance) P-C4' energy: -124.355 flat angles C4'-P-C4' energy: -118.538 flat angles P-C4'-P energy: -80.864 tors. eta vs tors. theta energy: -105.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1221.779516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.779516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.779516 (E_RNA) where: Base-Base interactions energy: -714.837 where: short stacking energy: -355.544 Base-Backbone interact. energy: -2.156 local terms energy: -504.786479 where: bonds (distance) C4'-P energy: -124.135 bonds (distance) P-C4' energy: -118.192 flat angles C4'-P-C4' energy: -122.958 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -67.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1010.155281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.155281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.155281 (E_RNA) where: Base-Base interactions energy: -576.335 where: short stacking energy: -297.872 Base-Backbone interact. energy: -2.445 local terms energy: -431.375513 where: bonds (distance) C4'-P energy: -105.866 bonds (distance) P-C4' energy: -90.473 flat angles C4'-P-C4' energy: -114.078 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: -64.755 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: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -799.029563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.029563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.029563 (E_RNA) where: Base-Base interactions energy: -412.347 where: short stacking energy: -254.871 Base-Backbone interact. energy: -1.634 local terms energy: -385.049054 where: bonds (distance) C4'-P energy: -102.611 bonds (distance) P-C4' energy: -87.520 flat angles C4'-P-C4' energy: -110.483 flat angles P-C4'-P energy: -58.519 tors. eta vs tors. theta energy: -25.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -642.784395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.784395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.784395 (E_RNA) where: Base-Base interactions energy: -306.021 where: short stacking energy: -187.272 Base-Backbone interact. energy: 3.826 local terms energy: -340.589314 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -117.004 flat angles C4'-P-C4' energy: -113.348 flat angles P-C4'-P energy: -37.492 tors. eta vs tors. theta energy: 3.540 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: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2156.781393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.781393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.781393 (E_RNA) where: Base-Base interactions energy: -1461.839 where: short stacking energy: -633.387 Base-Backbone interact. energy: -3.219 local terms energy: -691.722504 where: bonds (distance) C4'-P energy: -141.408 bonds (distance) P-C4' energy: -130.930 flat angles C4'-P-C4' energy: -141.385 flat angles P-C4'-P energy: -101.325 tors. eta vs tors. theta energy: -176.675 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1989.644623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.644623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.644623 (E_RNA) where: Base-Base interactions energy: -1313.610 where: short stacking energy: -590.930 Base-Backbone interact. energy: -4.015 local terms energy: -672.019383 where: bonds (distance) C4'-P energy: -132.989 bonds (distance) P-C4' energy: -125.786 flat angles C4'-P-C4' energy: -139.739 flat angles P-C4'-P energy: -100.605 tors. eta vs tors. theta energy: -172.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1825.044349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.044349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.044349 (E_RNA) where: Base-Base interactions energy: -1182.776 where: short stacking energy: -560.986 Base-Backbone interact. energy: -3.119 local terms energy: -639.148772 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -133.069 flat angles C4'-P-C4' energy: -146.355 flat angles P-C4'-P energy: -85.413 tors. eta vs tors. theta energy: -156.125 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: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1802.784353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.784353 (E_RNA) where: Base-Base interactions energy: -1183.015 where: short stacking energy: -532.139 Base-Backbone interact. energy: -5.335 local terms energy: -614.434394 where: bonds (distance) C4'-P energy: -114.758 bonds (distance) P-C4' energy: -117.819 flat angles C4'-P-C4' energy: -136.476 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -157.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1611.207032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.207032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.207032 (E_RNA) where: Base-Base interactions energy: -1080.703 where: short stacking energy: -449.533 Base-Backbone interact. energy: -7.151 local terms energy: -523.353395 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -113.372 flat angles C4'-P-C4' energy: -127.078 flat angles P-C4'-P energy: -61.393 tors. eta vs tors. theta energy: -103.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1540.060448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.060448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.060448 (E_RNA) where: Base-Base interactions energy: -974.950 where: short stacking energy: -438.835 Base-Backbone interact. energy: -3.417 local terms energy: -561.693239 where: bonds (distance) C4'-P energy: -130.370 bonds (distance) P-C4' energy: -123.564 flat angles C4'-P-C4' energy: -131.066 flat angles P-C4'-P energy: -77.025 tors. eta vs tors. theta energy: -99.667 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: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1250.216683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.216683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.216683 (E_RNA) where: Base-Base interactions energy: -746.661 where: short stacking energy: -365.251 Base-Backbone interact. energy: -1.597 local terms energy: -501.958167 where: bonds (distance) C4'-P energy: -120.619 bonds (distance) P-C4' energy: -133.078 flat angles C4'-P-C4' energy: -121.036 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -74.850 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: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1053.961538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.961538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.961538 (E_RNA) where: Base-Base interactions energy: -627.771 where: short stacking energy: -290.133 Base-Backbone interact. energy: 3.834 local terms energy: -430.024053 where: bonds (distance) C4'-P energy: -88.849 bonds (distance) P-C4' energy: -114.859 flat angles C4'-P-C4' energy: -114.837 flat angles P-C4'-P energy: -71.241 tors. eta vs tors. theta energy: -40.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -799.056584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.056584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.056584 (E_RNA) where: Base-Base interactions energy: -408.736 where: short stacking energy: -255.020 Base-Backbone interact. energy: -3.173 local terms energy: -387.147935 where: bonds (distance) C4'-P energy: -99.362 bonds (distance) P-C4' energy: -121.339 flat angles C4'-P-C4' energy: -104.824 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -14.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -593.475682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.475682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.475682 (E_RNA) where: Base-Base interactions energy: -284.133 where: short stacking energy: -167.271 Base-Backbone interact. energy: -1.559 local terms energy: -307.783700 where: bonds (distance) C4'-P energy: -102.736 bonds (distance) P-C4' energy: -100.847 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -41.232 tors. eta vs tors. theta energy: 28.056 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: 1, replica: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2220.263188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.263188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.263188 (E_RNA) where: Base-Base interactions energy: -1523.582 where: short stacking energy: -655.806 Base-Backbone interact. energy: -2.561 local terms energy: -694.119713 where: bonds (distance) C4'-P energy: -129.466 bonds (distance) P-C4' energy: -133.784 flat angles C4'-P-C4' energy: -153.591 flat angles P-C4'-P energy: -101.264 tors. eta vs tors. theta energy: -176.015 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: 51 Temperature: 0.950000 Total energy: -1958.638938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.638938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.638938 (E_RNA) where: Base-Base interactions energy: -1279.621 where: short stacking energy: -587.337 Base-Backbone interact. energy: -5.076 local terms energy: -673.941954 where: bonds (distance) C4'-P energy: -128.769 bonds (distance) P-C4' energy: -128.110 flat angles C4'-P-C4' energy: -140.996 flat angles P-C4'-P energy: -113.905 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: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1905.891738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.891738 (E_RNA) where: Base-Base interactions energy: -1223.503 where: short stacking energy: -559.785 Base-Backbone interact. energy: -4.205 local terms energy: -678.183928 where: bonds (distance) C4'-P energy: -141.682 bonds (distance) P-C4' energy: -130.056 flat angles C4'-P-C4' energy: -143.997 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -161.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1834.367050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.367050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.367050 (E_RNA) where: Base-Base interactions energy: -1193.134 where: short stacking energy: -545.847 Base-Backbone interact. energy: 2.186 local terms energy: -643.419481 where: bonds (distance) C4'-P energy: -132.107 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -76.956 tors. eta vs tors. theta energy: -164.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1640.992757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.992757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.992757 (E_RNA) where: Base-Base interactions energy: -1093.964 where: short stacking energy: -482.876 Base-Backbone interact. energy: -4.017 local terms energy: -543.012233 where: bonds (distance) C4'-P energy: -119.586 bonds (distance) P-C4' energy: -102.982 flat angles C4'-P-C4' energy: -128.414 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -129.053 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: 6, replica: 3 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1564.199731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.199731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.199731 (E_RNA) where: Base-Base interactions energy: -990.575 where: short stacking energy: -468.738 Base-Backbone interact. energy: -5.027 local terms energy: -568.597386 where: bonds (distance) C4'-P energy: -123.280 bonds (distance) P-C4' energy: -126.807 flat angles C4'-P-C4' energy: -124.068 flat angles P-C4'-P energy: -80.650 tors. eta vs tors. theta energy: -113.792 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: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1303.482634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.482634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.482634 (E_RNA) where: Base-Base interactions energy: -788.389 where: short stacking energy: -393.119 Base-Backbone interact. energy: -1.020 local terms energy: -514.073457 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -119.900 flat angles C4'-P-C4' energy: -114.275 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -87.818 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: 8, replica: 2 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1096.908415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.908415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.908415 (E_RNA) where: Base-Base interactions energy: -642.659 where: short stacking energy: -284.360 Base-Backbone interact. energy: -0.811 local terms energy: -453.437920 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -126.261 flat angles C4'-P-C4' energy: -107.400 flat angles P-C4'-P energy: -59.878 tors. eta vs tors. theta energy: -44.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -818.609980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.609980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.609980 (E_RNA) where: Base-Base interactions energy: -422.987 where: short stacking energy: -242.609 Base-Backbone interact. energy: -2.166 local terms energy: -393.456494 where: bonds (distance) C4'-P energy: -90.219 bonds (distance) P-C4' energy: -118.215 flat angles C4'-P-C4' energy: -99.983 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -21.743 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: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -624.603322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.603322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.603322 (E_RNA) where: Base-Base interactions energy: -292.998 where: short stacking energy: -190.259 Base-Backbone interact. energy: 1.355 local terms energy: -332.960464 where: bonds (distance) C4'-P energy: -99.611 bonds (distance) P-C4' energy: -106.903 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -61.658 tors. eta vs tors. theta energy: 5.327 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: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2180.374592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.374592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.374592 (E_RNA) where: Base-Base interactions energy: -1516.662 where: short stacking energy: -626.300 Base-Backbone interact. energy: -1.740 local terms energy: -661.971815 where: bonds (distance) C4'-P energy: -120.061 bonds (distance) P-C4' energy: -133.359 flat angles C4'-P-C4' energy: -152.178 flat angles P-C4'-P energy: -98.762 tors. eta vs tors. theta energy: -157.612 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: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1985.775563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.775563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.775563 (E_RNA) where: Base-Base interactions energy: -1324.022 where: short stacking energy: -567.864 Base-Backbone interact. energy: -3.426 local terms energy: -658.327428 where: bonds (distance) C4'-P energy: -128.241 bonds (distance) P-C4' energy: -136.297 flat angles C4'-P-C4' energy: -148.664 flat angles P-C4'-P energy: -85.591 tors. eta vs tors. theta energy: -159.534 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: 52 Temperature: 1.000000 Total energy: -1949.313860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.313860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.313860 (E_RNA) where: Base-Base interactions energy: -1307.514 where: short stacking energy: -595.243 Base-Backbone interact. energy: 0.595 local terms energy: -642.394402 where: bonds (distance) C4'-P energy: -115.972 bonds (distance) P-C4' energy: -126.599 flat angles C4'-P-C4' energy: -146.309 flat angles P-C4'-P energy: -95.998 tors. eta vs tors. theta energy: -157.516 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: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1853.525044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.525044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.525044 (E_RNA) where: Base-Base interactions energy: -1266.692 where: short stacking energy: -548.353 Base-Backbone interact. energy: -0.447 local terms energy: -586.385508 where: bonds (distance) C4'-P energy: -103.479 bonds (distance) P-C4' energy: -110.296 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -84.959 tors. eta vs tors. theta energy: -141.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1633.122854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.122854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.122854 (E_RNA) where: Base-Base interactions energy: -1042.474 where: short stacking energy: -476.372 Base-Backbone interact. energy: -4.002 local terms energy: -586.647533 where: bonds (distance) C4'-P energy: -114.184 bonds (distance) P-C4' energy: -126.007 flat angles C4'-P-C4' energy: -134.021 flat angles P-C4'-P energy: -70.653 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: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1546.711634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.711634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.711634 (E_RNA) where: Base-Base interactions energy: -983.777 where: short stacking energy: -456.800 Base-Backbone interact. energy: -1.558 local terms energy: -561.376658 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -119.552 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -120.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1322.852145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.852145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.852145 (E_RNA) where: Base-Base interactions energy: -828.676 where: short stacking energy: -377.838 Base-Backbone interact. energy: 0.356 local terms energy: -494.532570 where: bonds (distance) C4'-P energy: -94.328 bonds (distance) P-C4' energy: -124.872 flat angles C4'-P-C4' energy: -117.127 flat angles P-C4'-P energy: -78.752 tors. eta vs tors. theta energy: -79.454 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: 52 Temperature: 1.250000 Total energy: -1005.485106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.485106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.485106 (E_RNA) where: Base-Base interactions energy: -573.055 where: short stacking energy: -294.487 Base-Backbone interact. energy: 4.660 local terms energy: -437.089681 where: bonds (distance) C4'-P energy: -108.781 bonds (distance) P-C4' energy: -122.499 flat angles C4'-P-C4' energy: -99.345 flat angles P-C4'-P energy: -76.756 tors. eta vs tors. theta energy: -29.709 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: 9, replica: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -788.029815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.029815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.029815 (E_RNA) where: Base-Base interactions energy: -383.537 where: short stacking energy: -209.474 Base-Backbone interact. energy: 1.833 local terms energy: -406.325952 where: bonds (distance) C4'-P energy: -97.066 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -120.057 flat angles P-C4'-P energy: -58.426 tors. eta vs tors. theta energy: -14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -640.681803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.681803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.681803 (E_RNA) where: Base-Base interactions energy: -303.976 where: short stacking energy: -187.040 Base-Backbone interact. energy: 0.410 local terms energy: -337.115881 where: bonds (distance) C4'-P energy: -105.136 bonds (distance) P-C4' energy: -105.775 flat angles C4'-P-C4' energy: -101.011 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: 18.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2209.434811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.434811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.434811 (E_RNA) where: Base-Base interactions energy: -1535.493 where: short stacking energy: -645.510 Base-Backbone interact. energy: 1.456 local terms energy: -675.397736 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -139.989 flat angles C4'-P-C4' energy: -142.287 flat angles P-C4'-P energy: -95.889 tors. eta vs tors. theta energy: -173.959 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: 10 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2043.111393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.111393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.111393 (E_RNA) where: Base-Base interactions energy: -1369.607 where: short stacking energy: -605.102 Base-Backbone interact. energy: -2.242 local terms energy: -671.261998 where: bonds (distance) C4'-P energy: -130.933 bonds (distance) P-C4' energy: -146.089 flat angles C4'-P-C4' energy: -145.674 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -168.009 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: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1960.285956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.285956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.285956 (E_RNA) where: Base-Base interactions energy: -1299.099 where: short stacking energy: -556.114 Base-Backbone interact. energy: -2.256 local terms energy: -658.930889 where: bonds (distance) C4'-P energy: -142.930 bonds (distance) P-C4' energy: -142.565 flat angles C4'-P-C4' energy: -138.098 flat angles P-C4'-P energy: -68.435 tors. eta vs tors. theta energy: -166.903 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1810.488264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.488264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.488264 (E_RNA) where: Base-Base interactions energy: -1208.739 where: short stacking energy: -530.192 Base-Backbone interact. energy: -4.957 local terms energy: -596.792517 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -125.668 flat angles C4'-P-C4' energy: -136.233 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -127.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1632.597851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.597851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.597851 (E_RNA) where: Base-Base interactions energy: -1082.646 where: short stacking energy: -500.215 Base-Backbone interact. energy: -2.652 local terms energy: -547.300629 where: bonds (distance) C4'-P energy: -101.762 bonds (distance) P-C4' energy: -115.287 flat angles C4'-P-C4' energy: -125.039 flat angles P-C4'-P energy: -84.957 tors. eta vs tors. theta energy: -120.254 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: 6, replica: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1505.472704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.472704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.472704 (E_RNA) where: Base-Base interactions energy: -953.573 where: short stacking energy: -435.384 Base-Backbone interact. energy: 0.389 local terms energy: -552.288986 where: bonds (distance) C4'-P energy: -112.529 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -137.728 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -102.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1349.047728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.047728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.047728 (E_RNA) where: Base-Base interactions energy: -862.320 where: short stacking energy: -377.647 Base-Backbone interact. energy: -1.345 local terms energy: -485.382245 where: bonds (distance) C4'-P energy: -117.457 bonds (distance) P-C4' energy: -106.578 flat angles C4'-P-C4' energy: -115.878 flat angles P-C4'-P energy: -68.180 tors. eta vs tors. theta energy: -77.289 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: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1074.674584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.674584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.674584 (E_RNA) where: Base-Base interactions energy: -634.237 where: short stacking energy: -329.852 Base-Backbone interact. energy: -0.907 local terms energy: -439.530346 where: bonds (distance) C4'-P energy: -110.445 bonds (distance) P-C4' energy: -110.953 flat angles C4'-P-C4' energy: -106.370 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: -55.538 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: 6 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -831.407868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.407868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.407868 (E_RNA) where: Base-Base interactions energy: -427.057 where: short stacking energy: -233.603 Base-Backbone interact. energy: -1.169 local terms energy: -403.181115 where: bonds (distance) C4'-P energy: -108.876 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -17.654 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: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -677.548084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.548084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.548084 (E_RNA) where: Base-Base interactions energy: -334.858 where: short stacking energy: -203.649 Base-Backbone interact. energy: 1.166 local terms energy: -343.856146 where: bonds (distance) C4'-P energy: -100.672 bonds (distance) P-C4' energy: -121.683 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -46.586 tors. eta vs tors. theta energy: 14.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2205.408922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.408922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.408922 (E_RNA) where: Base-Base interactions energy: -1534.282 where: short stacking energy: -638.836 Base-Backbone interact. energy: -3.620 local terms energy: -667.507245 where: bonds (distance) C4'-P energy: -133.549 bonds (distance) P-C4' energy: -125.585 flat angles C4'-P-C4' energy: -147.383 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -164.687 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: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2068.172894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.172894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.172894 (E_RNA) where: Base-Base interactions energy: -1402.586 where: short stacking energy: -609.372 Base-Backbone interact. energy: -4.214 local terms energy: -661.372979 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -138.796 flat angles C4'-P-C4' energy: -140.448 flat angles P-C4'-P energy: -103.504 tors. eta vs tors. theta energy: -167.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1899.764734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.764734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.764734 (E_RNA) where: Base-Base interactions energy: -1246.370 where: short stacking energy: -560.713 Base-Backbone interact. energy: -2.160 local terms energy: -651.234423 where: bonds (distance) C4'-P energy: -132.695 bonds (distance) P-C4' energy: -132.435 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -84.326 tors. eta vs tors. theta energy: -158.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1791.447486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.447486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.447486 (E_RNA) where: Base-Base interactions energy: -1228.295 where: short stacking energy: -537.905 Base-Backbone interact. energy: -3.104 local terms energy: -560.047964 where: bonds (distance) C4'-P energy: -118.494 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -130.468 flat angles P-C4'-P energy: -76.399 tors. eta vs tors. theta energy: -120.022 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: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1647.782853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.782853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.782853 (E_RNA) where: Base-Base interactions energy: -1058.876 where: short stacking energy: -496.903 Base-Backbone interact. energy: -3.476 local terms energy: -585.430670 where: bonds (distance) C4'-P energy: -118.421 bonds (distance) P-C4' energy: -115.392 flat angles C4'-P-C4' energy: -133.533 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: -137.946 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: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1401.625402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.625402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.625402 (E_RNA) where: Base-Base interactions energy: -885.323 where: short stacking energy: -413.700 Base-Backbone interact. energy: 2.091 local terms energy: -518.392746 where: bonds (distance) C4'-P energy: -114.471 bonds (distance) P-C4' energy: -116.251 flat angles C4'-P-C4' energy: -109.720 flat angles P-C4'-P energy: -83.507 tors. eta vs tors. theta energy: -94.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1348.821867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.821867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.821867 (E_RNA) where: Base-Base interactions energy: -816.669 where: short stacking energy: -373.584 Base-Backbone interact. energy: -2.819 local terms energy: -529.334396 where: bonds (distance) C4'-P energy: -118.020 bonds (distance) P-C4' energy: -120.991 flat angles C4'-P-C4' energy: -126.694 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -85.976 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: 54 Temperature: 1.250000 Total energy: -1072.883185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.883185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.883185 (E_RNA) where: Base-Base interactions energy: -634.534 where: short stacking energy: -324.424 Base-Backbone interact. energy: 2.828 local terms energy: -441.177398 where: bonds (distance) C4'-P energy: -125.851 bonds (distance) P-C4' energy: -114.285 flat angles C4'-P-C4' energy: -106.810 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -34.489 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: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -819.179462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.179462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.179462 (E_RNA) where: Base-Base interactions energy: -416.952 where: short stacking energy: -251.226 Base-Backbone interact. energy: -3.130 local terms energy: -399.097829 where: bonds (distance) C4'-P energy: -93.845 bonds (distance) P-C4' energy: -128.502 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -72.943 tors. eta vs tors. theta energy: -20.699 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: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -694.457162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.457162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.457162 (E_RNA) where: Base-Base interactions energy: -343.639 where: short stacking energy: -217.749 Base-Backbone interact. energy: 5.882 local terms energy: -356.699847 where: bonds (distance) C4'-P energy: -91.190 bonds (distance) P-C4' energy: -103.641 flat angles C4'-P-C4' energy: -80.523 flat angles P-C4'-P energy: -81.455 tors. eta vs tors. theta energy: 0.109 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: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2207.453346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.453346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.453346 (E_RNA) where: Base-Base interactions energy: -1571.799 where: short stacking energy: -647.089 Base-Backbone interact. energy: -4.995 local terms energy: -630.660193 where: bonds (distance) C4'-P energy: -134.887 bonds (distance) P-C4' energy: -113.582 flat angles C4'-P-C4' energy: -142.410 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -166.221 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: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2079.727971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.727971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.727971 (E_RNA) where: Base-Base interactions energy: -1388.908 where: short stacking energy: -601.153 Base-Backbone interact. energy: -2.313 local terms energy: -688.507933 where: bonds (distance) C4'-P energy: -128.519 bonds (distance) P-C4' energy: -134.628 flat angles C4'-P-C4' energy: -148.422 flat angles P-C4'-P energy: -108.478 tors. eta vs tors. theta energy: -168.461 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: 3, replica: 1 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1877.798262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.798262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.798262 (E_RNA) where: Base-Base interactions energy: -1240.610 where: short stacking energy: -574.035 Base-Backbone interact. energy: -2.514 local terms energy: -634.673870 where: bonds (distance) C4'-P energy: -119.692 bonds (distance) P-C4' energy: -134.270 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -151.439 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1891.095533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.095533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.095533 (E_RNA) where: Base-Base interactions energy: -1248.618 where: short stacking energy: -567.283 Base-Backbone interact. energy: -0.913 local terms energy: -641.564323 where: bonds (distance) C4'-P energy: -135.917 bonds (distance) P-C4' energy: -128.958 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -97.203 tors. eta vs tors. theta energy: -151.585 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: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1593.698308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.698308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.698308 (E_RNA) where: Base-Base interactions energy: -1037.233 where: short stacking energy: -475.107 Base-Backbone interact. energy: 2.780 local terms energy: -559.244760 where: bonds (distance) C4'-P energy: -110.802 bonds (distance) P-C4' energy: -109.184 flat angles C4'-P-C4' energy: -127.168 flat angles P-C4'-P energy: -87.979 tors. eta vs tors. theta energy: -124.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1424.407781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.407781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.407781 (E_RNA) where: Base-Base interactions energy: -899.261 where: short stacking energy: -378.107 Base-Backbone interact. energy: 1.549 local terms energy: -526.695607 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -104.414 flat angles P-C4'-P energy: -88.127 tors. eta vs tors. theta energy: -91.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1324.305700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.305700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.305700 (E_RNA) where: Base-Base interactions energy: -827.773 where: short stacking energy: -382.286 Base-Backbone interact. energy: 0.144 local terms energy: -496.676762 where: bonds (distance) C4'-P energy: -118.792 bonds (distance) P-C4' energy: -120.237 flat angles C4'-P-C4' energy: -102.449 flat angles P-C4'-P energy: -69.548 tors. eta vs tors. theta energy: -85.650 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: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1135.353401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.353401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.353401 (E_RNA) where: Base-Base interactions energy: -714.569 where: short stacking energy: -325.295 Base-Backbone interact. energy: 3.688 local terms energy: -424.472372 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -114.870 flat angles C4'-P-C4' energy: -99.941 flat angles P-C4'-P energy: -59.852 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: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -797.450010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.450010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.450010 (E_RNA) where: Base-Base interactions energy: -406.145 where: short stacking energy: -211.698 Base-Backbone interact. energy: 10.410 local terms energy: -401.715089 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -99.761 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -10.796 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: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -591.385179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.385179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.385179 (E_RNA) where: Base-Base interactions energy: -248.031 where: short stacking energy: -160.034 Base-Backbone interact. energy: 6.541 local terms energy: -349.895559 where: bonds (distance) C4'-P energy: -108.642 bonds (distance) P-C4' energy: -119.658 flat angles C4'-P-C4' energy: -94.982 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: 17.379 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: 56 Temperature: 0.900000 Total energy: -2212.101629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.101629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.101629 (E_RNA) where: Base-Base interactions energy: -1532.257 where: short stacking energy: -615.847 Base-Backbone interact. energy: -1.883 local terms energy: -677.961434 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -137.633 flat angles C4'-P-C4' energy: -140.599 flat angles P-C4'-P energy: -93.654 tors. eta vs tors. theta energy: -170.789 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: 2, replica: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2038.697430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.697430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.697430 (E_RNA) where: Base-Base interactions energy: -1390.655 where: short stacking energy: -601.953 Base-Backbone interact. energy: 1.967 local terms energy: -650.009935 where: bonds (distance) C4'-P energy: -130.591 bonds (distance) P-C4' energy: -126.006 flat angles C4'-P-C4' energy: -135.490 flat angles P-C4'-P energy: -80.308 tors. eta vs tors. theta energy: -177.615 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1946.607404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.607404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.607404 (E_RNA) where: Base-Base interactions energy: -1281.490 where: short stacking energy: -575.747 Base-Backbone interact. energy: -5.945 local terms energy: -659.172014 where: bonds (distance) C4'-P energy: -123.191 bonds (distance) P-C4' energy: -132.419 flat angles C4'-P-C4' energy: -144.586 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -161.467 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: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1814.064019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.064019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.064019 (E_RNA) where: Base-Base interactions energy: -1187.735 where: short stacking energy: -531.302 Base-Backbone interact. energy: -2.540 local terms energy: -623.789458 where: bonds (distance) C4'-P energy: -126.789 bonds (distance) P-C4' energy: -138.729 flat angles C4'-P-C4' energy: -132.388 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -153.341 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: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1619.715987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.715987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.715987 (E_RNA) where: Base-Base interactions energy: -1044.757 where: short stacking energy: -476.968 Base-Backbone interact. energy: -1.618 local terms energy: -573.340766 where: bonds (distance) C4'-P energy: -122.018 bonds (distance) P-C4' energy: -106.862 flat angles C4'-P-C4' energy: -129.503 flat angles P-C4'-P energy: -85.223 tors. eta vs tors. theta energy: -129.734 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: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1391.162281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.162281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.162281 (E_RNA) where: Base-Base interactions energy: -881.516 where: short stacking energy: -396.723 Base-Backbone interact. energy: -2.996 local terms energy: -506.649733 where: bonds (distance) C4'-P energy: -114.215 bonds (distance) P-C4' energy: -112.510 flat angles C4'-P-C4' energy: -115.807 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -85.327 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: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1375.601998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.601998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.601998 (E_RNA) where: Base-Base interactions energy: -875.950 where: short stacking energy: -391.558 Base-Backbone interact. energy: -2.049 local terms energy: -497.603109 where: bonds (distance) C4'-P energy: -113.589 bonds (distance) P-C4' energy: -112.037 flat angles C4'-P-C4' energy: -116.125 flat angles P-C4'-P energy: -79.603 tors. eta vs tors. theta energy: -76.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1148.738231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.738231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.738231 (E_RNA) where: Base-Base interactions energy: -695.589 where: short stacking energy: -326.920 Base-Backbone interact. energy: -1.151 local terms energy: -451.998104 where: bonds (distance) C4'-P energy: -95.186 bonds (distance) P-C4' energy: -114.564 flat angles C4'-P-C4' energy: -108.444 flat angles P-C4'-P energy: -80.772 tors. eta vs tors. theta energy: -53.033 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: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -896.723280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.723280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.723280 (E_RNA) where: Base-Base interactions energy: -507.518 where: short stacking energy: -269.593 Base-Backbone interact. energy: -1.469 local terms energy: -387.736673 where: bonds (distance) C4'-P energy: -96.892 bonds (distance) P-C4' energy: -111.351 flat angles C4'-P-C4' energy: -98.949 flat angles P-C4'-P energy: -59.235 tors. eta vs tors. theta energy: -21.310 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: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -623.976149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.976149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.976149 (E_RNA) where: Base-Base interactions energy: -273.821 where: short stacking energy: -157.278 Base-Backbone interact. energy: 1.585 local terms energy: -351.740685 where: bonds (distance) C4'-P energy: -99.985 bonds (distance) P-C4' energy: -120.806 flat angles C4'-P-C4' energy: -89.757 flat angles P-C4'-P energy: -49.121 tors. eta vs tors. theta energy: 7.928 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: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2245.942970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.942970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.942970 (E_RNA) where: Base-Base interactions energy: -1558.813 where: short stacking energy: -637.684 Base-Backbone interact. energy: -2.633 local terms energy: -684.496194 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -132.257 flat angles C4'-P-C4' energy: -151.039 flat angles P-C4'-P energy: -97.975 tors. eta vs tors. theta energy: -171.759 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: 57 Temperature: 0.950000 Total energy: -2070.852973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.852973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.852973 (E_RNA) where: Base-Base interactions energy: -1408.121 where: short stacking energy: -608.453 Base-Backbone interact. energy: -3.512 local terms energy: -659.220652 where: bonds (distance) C4'-P energy: -129.927 bonds (distance) P-C4' energy: -121.531 flat angles C4'-P-C4' energy: -146.116 flat angles P-C4'-P energy: -89.091 tors. eta vs tors. theta energy: -172.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1929.371234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.371234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.371234 (E_RNA) where: Base-Base interactions energy: -1246.300 where: short stacking energy: -535.067 Base-Backbone interact. energy: -7.090 local terms energy: -675.981693 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -147.012 flat angles C4'-P-C4' energy: -149.389 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -152.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1840.782799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.782799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.782799 (E_RNA) where: Base-Base interactions energy: -1228.395 where: short stacking energy: -535.411 Base-Backbone interact. energy: -1.695 local terms energy: -610.692670 where: bonds (distance) C4'-P energy: -119.425 bonds (distance) P-C4' energy: -112.457 flat angles C4'-P-C4' energy: -132.657 flat angles P-C4'-P energy: -80.902 tors. eta vs tors. theta energy: -165.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1638.661197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.661197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.661197 (E_RNA) where: Base-Base interactions energy: -1066.342 where: short stacking energy: -442.525 Base-Backbone interact. energy: 1.680 local terms energy: -573.999631 where: bonds (distance) C4'-P energy: -116.909 bonds (distance) P-C4' energy: -121.244 flat angles C4'-P-C4' energy: -120.194 flat angles P-C4'-P energy: -99.856 tors. eta vs tors. theta energy: -115.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1393.566590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.566590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.566590 (E_RNA) where: Base-Base interactions energy: -896.165 where: short stacking energy: -443.980 Base-Backbone interact. energy: 4.671 local terms energy: -502.072347 where: bonds (distance) C4'-P energy: -109.670 bonds (distance) P-C4' energy: -116.619 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -97.167 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: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1316.087177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.087177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.087177 (E_RNA) where: Base-Base interactions energy: -851.230 where: short stacking energy: -388.668 Base-Backbone interact. energy: 1.244 local terms energy: -466.101105 where: bonds (distance) C4'-P energy: -119.654 bonds (distance) P-C4' energy: -95.460 flat angles C4'-P-C4' energy: -125.790 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: -68.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1150.174968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.174968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.174968 (E_RNA) where: Base-Base interactions energy: -719.179 where: short stacking energy: -337.990 Base-Backbone interact. energy: 5.723 local terms energy: -436.718322 where: bonds (distance) C4'-P energy: -108.198 bonds (distance) P-C4' energy: -94.800 flat angles C4'-P-C4' energy: -101.721 flat angles P-C4'-P energy: -77.949 tors. eta vs tors. theta energy: -54.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -899.080907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.080907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.080907 (E_RNA) where: Base-Base interactions energy: -500.589 where: short stacking energy: -290.757 Base-Backbone interact. energy: 3.887 local terms energy: -402.378798 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -114.234 flat angles C4'-P-C4' energy: -102.328 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -42.842 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: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -636.970899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.970899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.970899 (E_RNA) where: Base-Base interactions energy: -299.543 where: short stacking energy: -181.135 Base-Backbone interact. energy: 1.828 local terms energy: -339.256147 where: bonds (distance) C4'-P energy: -93.015 bonds (distance) P-C4' energy: -111.549 flat angles C4'-P-C4' energy: -76.978 flat angles P-C4'-P energy: -58.161 tors. eta vs tors. theta energy: 0.447 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: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2248.072208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.072208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.072208 (E_RNA) where: Base-Base interactions energy: -1591.714 where: short stacking energy: -617.087 Base-Backbone interact. energy: -2.775 local terms energy: -653.583272 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -148.572 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -157.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2067.908620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.908620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.908620 (E_RNA) where: Base-Base interactions energy: -1392.663 where: short stacking energy: -607.523 Base-Backbone interact. energy: -3.038 local terms energy: -672.207455 where: bonds (distance) C4'-P energy: -130.897 bonds (distance) P-C4' energy: -128.994 flat angles C4'-P-C4' energy: -147.903 flat angles P-C4'-P energy: -96.127 tors. eta vs tors. theta energy: -168.286 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: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1935.662571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.662571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.662571 (E_RNA) where: Base-Base interactions energy: -1291.416 where: short stacking energy: -576.920 Base-Backbone interact. energy: -1.824 local terms energy: -642.421886 where: bonds (distance) C4'-P energy: -105.242 bonds (distance) P-C4' energy: -132.258 flat angles C4'-P-C4' energy: -158.354 flat angles P-C4'-P energy: -93.246 tors. eta vs tors. theta energy: -153.321 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: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1846.933417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.933417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.933417 (E_RNA) where: Base-Base interactions energy: -1225.178 where: short stacking energy: -566.803 Base-Backbone interact. energy: -3.642 local terms energy: -618.113251 where: bonds (distance) C4'-P energy: -126.296 bonds (distance) P-C4' energy: -126.623 flat angles C4'-P-C4' energy: -129.592 flat angles P-C4'-P energy: -70.936 tors. eta vs tors. theta energy: -164.667 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: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1587.738096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.738096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.738096 (E_RNA) where: Base-Base interactions energy: -1029.758 where: short stacking energy: -454.263 Base-Backbone interact. energy: -2.252 local terms energy: -555.728497 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -126.359 flat angles P-C4'-P energy: -78.194 tors. eta vs tors. theta energy: -109.191 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: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1430.621045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.621045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.621045 (E_RNA) where: Base-Base interactions energy: -902.288 where: short stacking energy: -419.607 Base-Backbone interact. energy: 1.855 local terms energy: -530.188581 where: bonds (distance) C4'-P energy: -125.323 bonds (distance) P-C4' energy: -109.599 flat angles C4'-P-C4' energy: -127.424 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -103.248 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: 4 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1399.109133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.109133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.109133 (E_RNA) where: Base-Base interactions energy: -906.080 where: short stacking energy: -372.777 Base-Backbone interact. energy: 3.465 local terms energy: -496.494735 where: bonds (distance) C4'-P energy: -104.334 bonds (distance) P-C4' energy: -115.806 flat angles C4'-P-C4' energy: -115.888 flat angles P-C4'-P energy: -86.362 tors. eta vs tors. theta energy: -74.105 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: 58 Temperature: 1.250000 Total energy: -1109.726553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.726553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.726553 (E_RNA) where: Base-Base interactions energy: -659.113 where: short stacking energy: -319.946 Base-Backbone interact. energy: 4.133 local terms energy: -454.746881 where: bonds (distance) C4'-P energy: -135.931 bonds (distance) P-C4' energy: -108.951 flat angles C4'-P-C4' energy: -86.348 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -60.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -966.704722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.704722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.704722 (E_RNA) where: Base-Base interactions energy: -523.588 where: short stacking energy: -282.001 Base-Backbone interact. energy: -3.461 local terms energy: -439.655150 where: bonds (distance) C4'-P energy: -102.824 bonds (distance) P-C4' energy: -116.585 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -40.383 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: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -615.203528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.203528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.203528 (E_RNA) where: Base-Base interactions energy: -289.984 where: short stacking energy: -168.277 Base-Backbone interact. energy: -1.791 local terms energy: -323.428843 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -94.315 flat angles C4'-P-C4' energy: -80.567 flat angles P-C4'-P energy: -64.819 tors. eta vs tors. theta energy: 19.290 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: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2265.301049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.301049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.301049 (E_RNA) where: Base-Base interactions energy: -1573.442 where: short stacking energy: -630.951 Base-Backbone interact. energy: -1.996 local terms energy: -689.863049 where: bonds (distance) C4'-P energy: -122.516 bonds (distance) P-C4' energy: -149.085 flat angles C4'-P-C4' energy: -145.159 flat angles P-C4'-P energy: -106.177 tors. eta vs tors. theta energy: -166.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2052.028463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.028463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.028463 (E_RNA) where: Base-Base interactions energy: -1380.431 where: short stacking energy: -589.037 Base-Backbone interact. energy: -4.168 local terms energy: -667.430251 where: bonds (distance) C4'-P energy: -136.850 bonds (distance) P-C4' energy: -125.097 flat angles C4'-P-C4' energy: -146.185 flat angles P-C4'-P energy: -97.892 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: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1937.436506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.436506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.436506 (E_RNA) where: Base-Base interactions energy: -1294.910 where: short stacking energy: -585.875 Base-Backbone interact. energy: -3.434 local terms energy: -639.092522 where: bonds (distance) C4'-P energy: -126.243 bonds (distance) P-C4' energy: -120.803 flat angles C4'-P-C4' energy: -152.236 flat angles P-C4'-P energy: -81.495 tors. eta vs tors. theta energy: -158.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1798.832116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.832116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.832116 (E_RNA) where: Base-Base interactions energy: -1167.231 where: short stacking energy: -517.462 Base-Backbone interact. energy: -1.362 local terms energy: -630.238666 where: bonds (distance) C4'-P energy: -128.295 bonds (distance) P-C4' energy: -139.308 flat angles C4'-P-C4' energy: -130.669 flat angles P-C4'-P energy: -86.640 tors. eta vs tors. theta energy: -145.327 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: 5, replica: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1592.924308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.924308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.924308 (E_RNA) where: Base-Base interactions energy: -1042.212 where: short stacking energy: -449.974 Base-Backbone interact. energy: -1.752 local terms energy: -548.960270 where: bonds (distance) C4'-P energy: -97.919 bonds (distance) P-C4' energy: -135.235 flat angles C4'-P-C4' energy: -131.005 flat angles P-C4'-P energy: -88.970 tors. eta vs tors. theta energy: -95.832 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: 6, replica: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1397.240427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.240427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.240427 (E_RNA) where: Base-Base interactions energy: -859.234 where: short stacking energy: -431.634 Base-Backbone interact. energy: 0.525 local terms energy: -538.531076 where: bonds (distance) C4'-P energy: -107.521 bonds (distance) P-C4' energy: -123.584 flat angles C4'-P-C4' energy: -132.467 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -102.617 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: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1356.161918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.161918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.161918 (E_RNA) where: Base-Base interactions energy: -837.449 where: short stacking energy: -392.103 Base-Backbone interact. energy: 1.192 local terms energy: -519.905320 where: bonds (distance) C4'-P energy: -124.233 bonds (distance) P-C4' energy: -110.614 flat angles C4'-P-C4' energy: -134.290 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -73.643 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: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1086.168552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.168552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.168552 (E_RNA) where: Base-Base interactions energy: -621.197 where: short stacking energy: -318.200 Base-Backbone interact. energy: 3.045 local terms energy: -468.016873 where: bonds (distance) C4'-P energy: -112.140 bonds (distance) P-C4' energy: -129.347 flat angles C4'-P-C4' energy: -101.120 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -56.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -912.231508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.231508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.231508 (E_RNA) where: Base-Base interactions energy: -503.189 where: short stacking energy: -286.361 Base-Backbone interact. energy: 4.008 local terms energy: -413.049827 where: bonds (distance) C4'-P energy: -126.783 bonds (distance) P-C4' energy: -95.363 flat angles C4'-P-C4' energy: -100.294 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -29.643 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -673.299590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.299590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.299590 (E_RNA) where: Base-Base interactions energy: -317.096 where: short stacking energy: -197.510 Base-Backbone interact. energy: -3.324 local terms energy: -352.878928 where: bonds (distance) C4'-P energy: -85.784 bonds (distance) P-C4' energy: -113.257 flat angles C4'-P-C4' energy: -111.631 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: 5.126 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: 1, replica: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2195.886571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.886571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.886571 (E_RNA) where: Base-Base interactions energy: -1524.418 where: short stacking energy: -599.855 Base-Backbone interact. energy: -5.041 local terms energy: -666.427443 where: bonds (distance) C4'-P energy: -126.041 bonds (distance) P-C4' energy: -132.276 flat angles C4'-P-C4' energy: -151.245 flat angles P-C4'-P energy: -86.595 tors. eta vs tors. theta energy: -170.271 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: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2057.000348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.000348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.000348 (E_RNA) where: Base-Base interactions energy: -1361.026 where: short stacking energy: -632.657 Base-Backbone interact. energy: -0.963 local terms energy: -695.011779 where: bonds (distance) C4'-P energy: -137.185 bonds (distance) P-C4' energy: -127.929 flat angles C4'-P-C4' energy: -149.910 flat angles P-C4'-P energy: -104.273 tors. eta vs tors. theta energy: -175.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1923.432974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.432974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.432974 (E_RNA) where: Base-Base interactions energy: -1293.903 where: short stacking energy: -552.116 Base-Backbone interact. energy: -1.253 local terms energy: -628.276762 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -140.959 flat angles C4'-P-C4' energy: -137.324 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -152.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1796.087210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.087210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.087210 (E_RNA) where: Base-Base interactions energy: -1182.833 where: short stacking energy: -523.908 Base-Backbone interact. energy: 0.441 local terms energy: -613.694925 where: bonds (distance) C4'-P energy: -125.958 bonds (distance) P-C4' energy: -131.746 flat angles C4'-P-C4' energy: -130.295 flat angles P-C4'-P energy: -90.604 tors. eta vs tors. theta energy: -135.091 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: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1630.846360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.846360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.846360 (E_RNA) where: Base-Base interactions energy: -1044.073 where: short stacking energy: -497.447 Base-Backbone interact. energy: -1.868 local terms energy: -584.905647 where: bonds (distance) C4'-P energy: -112.561 bonds (distance) P-C4' energy: -126.289 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -90.998 tors. eta vs tors. theta energy: -136.437 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: 6, replica: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1468.044526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.044526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.044526 (E_RNA) where: Base-Base interactions energy: -921.813 where: short stacking energy: -418.466 Base-Backbone interact. energy: -1.569 local terms energy: -544.663088 where: bonds (distance) C4'-P energy: -131.652 bonds (distance) P-C4' energy: -115.510 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -69.981 tors. eta vs tors. theta energy: -100.396 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1337.769319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.769319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.769319 (E_RNA) where: Base-Base interactions energy: -818.038 where: short stacking energy: -386.391 Base-Backbone interact. energy: -2.053 local terms energy: -517.678452 where: bonds (distance) C4'-P energy: -116.684 bonds (distance) P-C4' energy: -116.175 flat angles C4'-P-C4' energy: -113.698 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: -93.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1060.533913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.533913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.533913 (E_RNA) where: Base-Base interactions energy: -597.729 where: short stacking energy: -270.814 Base-Backbone interact. energy: -5.394 local terms energy: -457.411310 where: bonds (distance) C4'-P energy: -117.219 bonds (distance) P-C4' energy: -123.780 flat angles C4'-P-C4' energy: -118.304 flat angles P-C4'-P energy: -57.982 tors. eta vs tors. theta energy: -40.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -815.448341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.448341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.448341 (E_RNA) where: Base-Base interactions energy: -430.996 where: short stacking energy: -233.676 Base-Backbone interact. energy: 7.696 local terms energy: -392.148954 where: bonds (distance) C4'-P energy: -115.008 bonds (distance) P-C4' energy: -102.678 flat angles C4'-P-C4' energy: -104.343 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -692.982245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.982245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.982245 (E_RNA) where: Base-Base interactions energy: -327.402 where: short stacking energy: -178.981 Base-Backbone interact. energy: 0.562 local terms energy: -366.142207 where: bonds (distance) C4'-P energy: -107.719 bonds (distance) P-C4' energy: -107.184 flat angles C4'-P-C4' energy: -102.213 flat angles P-C4'-P energy: -56.224 tors. eta vs tors. theta energy: 7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2188.883230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.883230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.883230 (E_RNA) where: Base-Base interactions energy: -1526.869 where: short stacking energy: -623.535 Base-Backbone interact. energy: 4.530 local terms energy: -666.543872 where: bonds (distance) C4'-P energy: -118.926 bonds (distance) P-C4' energy: -151.245 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -95.527 tors. eta vs tors. theta energy: -149.112 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: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2079.422767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.422767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.422767 (E_RNA) where: Base-Base interactions energy: -1405.220 where: short stacking energy: -602.883 Base-Backbone interact. energy: -4.428 local terms energy: -669.774247 where: bonds (distance) C4'-P energy: -127.404 bonds (distance) P-C4' energy: -132.975 flat angles C4'-P-C4' energy: -147.592 flat angles P-C4'-P energy: -91.393 tors. eta vs tors. theta energy: -170.411 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: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1952.705247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.705247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.705247 (E_RNA) where: Base-Base interactions energy: -1323.685 where: short stacking energy: -558.267 Base-Backbone interact. energy: -2.061 local terms energy: -626.958963 where: bonds (distance) C4'-P energy: -136.110 bonds (distance) P-C4' energy: -117.900 flat angles C4'-P-C4' energy: -134.627 flat angles P-C4'-P energy: -80.812 tors. eta vs tors. theta energy: -157.509 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1802.780592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.780592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.780592 (E_RNA) where: Base-Base interactions energy: -1175.674 where: short stacking energy: -544.157 Base-Backbone interact. energy: -1.000 local terms energy: -626.107244 where: bonds (distance) C4'-P energy: -133.134 bonds (distance) P-C4' energy: -122.403 flat angles C4'-P-C4' energy: -137.895 flat angles P-C4'-P energy: -75.971 tors. eta vs tors. theta energy: -156.705 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: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1635.761382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.761382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.761382 (E_RNA) where: Base-Base interactions energy: -1036.164 where: short stacking energy: -463.962 Base-Backbone interact. energy: -0.498 local terms energy: -599.099513 where: bonds (distance) C4'-P energy: -110.782 bonds (distance) P-C4' energy: -136.784 flat angles C4'-P-C4' energy: -135.572 flat angles P-C4'-P energy: -96.854 tors. eta vs tors. theta energy: -119.108 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: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1403.317118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.317118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.317118 (E_RNA) where: Base-Base interactions energy: -899.841 where: short stacking energy: -387.457 Base-Backbone interact. energy: 0.647 local terms energy: -504.123626 where: bonds (distance) C4'-P energy: -103.843 bonds (distance) P-C4' energy: -122.616 flat angles C4'-P-C4' energy: -126.413 flat angles P-C4'-P energy: -73.951 tors. eta vs tors. theta energy: -77.301 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: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1343.005279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.005279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.005279 (E_RNA) where: Base-Base interactions energy: -857.873 where: short stacking energy: -378.128 Base-Backbone interact. energy: 1.825 local terms energy: -486.957152 where: bonds (distance) C4'-P energy: -113.454 bonds (distance) P-C4' energy: -109.192 flat angles C4'-P-C4' energy: -121.450 flat angles P-C4'-P energy: -78.706 tors. eta vs tors. theta energy: -64.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1000.040599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.040599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.040599 (E_RNA) where: Base-Base interactions energy: -576.058 where: short stacking energy: -273.018 Base-Backbone interact. energy: 3.431 local terms energy: -427.414043 where: bonds (distance) C4'-P energy: -112.114 bonds (distance) P-C4' energy: -115.192 flat angles C4'-P-C4' energy: -109.956 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: -22.540 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: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -793.743683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.743683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.743683 (E_RNA) where: Base-Base interactions energy: -405.538 where: short stacking energy: -230.616 Base-Backbone interact. energy: 1.526 local terms energy: -389.731477 where: bonds (distance) C4'-P energy: -101.886 bonds (distance) P-C4' energy: -121.808 flat angles C4'-P-C4' energy: -88.623 flat angles P-C4'-P energy: -59.183 tors. eta vs tors. theta energy: -18.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -621.569945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.569945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.569945 (E_RNA) where: Base-Base interactions energy: -285.436 where: short stacking energy: -165.187 Base-Backbone interact. energy: 2.198 local terms energy: -338.332415 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -103.189 flat angles P-C4'-P energy: -55.893 tors. eta vs tors. theta energy: 22.388 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: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2182.311032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.311032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.311032 (E_RNA) where: Base-Base interactions energy: -1489.898 where: short stacking energy: -607.823 Base-Backbone interact. energy: -1.821 local terms energy: -690.592772 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -154.563 flat angles P-C4'-P energy: -98.743 tors. eta vs tors. theta energy: -169.769 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: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2106.799881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.799881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.799881 (E_RNA) where: Base-Base interactions energy: -1411.946 where: short stacking energy: -603.999 Base-Backbone interact. energy: -1.519 local terms energy: -693.334747 where: bonds (distance) C4'-P energy: -121.674 bonds (distance) P-C4' energy: -126.032 flat angles C4'-P-C4' energy: -159.252 flat angles P-C4'-P energy: -100.991 tors. eta vs tors. theta energy: -185.386 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: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1917.374850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.374850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.374850 (E_RNA) where: Base-Base interactions energy: -1311.474 where: short stacking energy: -551.333 Base-Backbone interact. energy: -2.267 local terms energy: -603.634742 where: bonds (distance) C4'-P energy: -118.207 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -68.979 tors. eta vs tors. theta energy: -136.183 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1788.341866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.341866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.341866 (E_RNA) where: Base-Base interactions energy: -1217.969 where: short stacking energy: -557.098 Base-Backbone interact. energy: -1.408 local terms energy: -568.964602 where: bonds (distance) C4'-P energy: -107.811 bonds (distance) P-C4' energy: -111.733 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -83.369 tors. eta vs tors. theta energy: -151.981 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: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1684.928956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.928956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.928956 (E_RNA) where: Base-Base interactions energy: -1108.544 where: short stacking energy: -508.308 Base-Backbone interact. energy: 2.551 local terms energy: -578.935170 where: bonds (distance) C4'-P energy: -115.438 bonds (distance) P-C4' energy: -108.794 flat angles C4'-P-C4' energy: -135.419 flat angles P-C4'-P energy: -86.483 tors. eta vs tors. theta energy: -132.801 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: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1435.568812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.568812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.568812 (E_RNA) where: Base-Base interactions energy: -910.710 where: short stacking energy: -419.000 Base-Backbone interact. energy: -1.207 local terms energy: -523.651164 where: bonds (distance) C4'-P energy: -110.019 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -126.044 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -78.734 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: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1436.780537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.780537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.780537 (E_RNA) where: Base-Base interactions energy: -928.305 where: short stacking energy: -410.505 Base-Backbone interact. energy: 3.515 local terms energy: -511.990271 where: bonds (distance) C4'-P energy: -104.506 bonds (distance) P-C4' energy: -132.302 flat angles C4'-P-C4' energy: -122.572 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -77.685 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: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1048.715609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.715609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.715609 (E_RNA) where: Base-Base interactions energy: -613.446 where: short stacking energy: -314.991 Base-Backbone interact. energy: 0.177 local terms energy: -435.446280 where: bonds (distance) C4'-P energy: -97.562 bonds (distance) P-C4' energy: -117.757 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -40.954 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: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -805.970868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.970868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.970868 (E_RNA) where: Base-Base interactions energy: -413.867 where: short stacking energy: -241.151 Base-Backbone interact. energy: -0.226 local terms energy: -391.877822 where: bonds (distance) C4'-P energy: -120.923 bonds (distance) P-C4' energy: -123.473 flat angles C4'-P-C4' energy: -89.287 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -17.971 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: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -621.876858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.876858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.876858 (E_RNA) where: Base-Base interactions energy: -244.249 where: short stacking energy: -172.498 Base-Backbone interact. energy: -0.674 local terms energy: -376.953332 where: bonds (distance) C4'-P energy: -122.448 bonds (distance) P-C4' energy: -109.655 flat angles C4'-P-C4' energy: -91.115 flat angles P-C4'-P energy: -63.169 tors. eta vs tors. theta energy: 9.433 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: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2244.986145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.986145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.986145 (E_RNA) where: Base-Base interactions energy: -1565.677 where: short stacking energy: -637.222 Base-Backbone interact. energy: -3.217 local terms energy: -676.091443 where: bonds (distance) C4'-P energy: -139.501 bonds (distance) P-C4' energy: -127.370 flat angles C4'-P-C4' energy: -145.339 flat angles P-C4'-P energy: -95.813 tors. eta vs tors. theta energy: -168.069 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: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2079.250817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.250817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.250817 (E_RNA) where: Base-Base interactions energy: -1388.004 where: short stacking energy: -621.822 Base-Backbone interact. energy: -0.322 local terms energy: -690.924964 where: bonds (distance) C4'-P energy: -120.332 bonds (distance) P-C4' energy: -128.747 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -104.731 tors. eta vs tors. theta energy: -182.243 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: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1927.823886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.823886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.823886 (E_RNA) where: Base-Base interactions energy: -1291.658 where: short stacking energy: -569.374 Base-Backbone interact. energy: -3.798 local terms energy: -632.368657 where: bonds (distance) C4'-P energy: -123.440 bonds (distance) P-C4' energy: -131.663 flat angles C4'-P-C4' energy: -142.773 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -156.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1836.648430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.648430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.648430 (E_RNA) where: Base-Base interactions energy: -1242.544 where: short stacking energy: -543.120 Base-Backbone interact. energy: -1.222 local terms energy: -592.882875 where: bonds (distance) C4'-P energy: -114.985 bonds (distance) P-C4' energy: -130.307 flat angles C4'-P-C4' energy: -128.940 flat angles P-C4'-P energy: -71.215 tors. eta vs tors. theta energy: -147.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1719.060471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.060471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.060471 (E_RNA) where: Base-Base interactions energy: -1142.030 where: short stacking energy: -506.492 Base-Backbone interact. energy: 0.262 local terms energy: -577.292354 where: bonds (distance) C4'-P energy: -111.258 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -124.389 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -127.798 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1429.849581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.849581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.849581 (E_RNA) where: Base-Base interactions energy: -921.445 where: short stacking energy: -398.227 Base-Backbone interact. energy: 1.066 local terms energy: -509.470747 where: bonds (distance) C4'-P energy: -106.421 bonds (distance) P-C4' energy: -131.660 flat angles C4'-P-C4' energy: -123.815 flat angles P-C4'-P energy: -66.387 tors. eta vs tors. theta energy: -81.189 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: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1363.386086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.386086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.386086 (E_RNA) where: Base-Base interactions energy: -850.660 where: short stacking energy: -399.889 Base-Backbone interact. energy: -3.643 local terms energy: -509.083225 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -113.370 flat angles C4'-P-C4' energy: -112.700 flat angles P-C4'-P energy: -92.222 tors. eta vs tors. theta energy: -98.636 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: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1031.931706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.931706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.931706 (E_RNA) where: Base-Base interactions energy: -599.849 where: short stacking energy: -295.605 Base-Backbone interact. energy: -2.560 local terms energy: -429.523104 where: bonds (distance) C4'-P energy: -101.030 bonds (distance) P-C4' energy: -109.104 flat angles C4'-P-C4' energy: -111.812 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -43.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -824.719229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.719229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.719229 (E_RNA) where: Base-Base interactions energy: -420.891 where: short stacking energy: -224.063 Base-Backbone interact. energy: -0.499 local terms energy: -403.329290 where: bonds (distance) C4'-P energy: -104.441 bonds (distance) P-C4' energy: -110.186 flat angles C4'-P-C4' energy: -120.050 flat angles P-C4'-P energy: -67.164 tors. eta vs tors. theta energy: -1.488 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -598.531568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.531568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.531568 (E_RNA) where: Base-Base interactions energy: -253.440 where: short stacking energy: -169.050 Base-Backbone interact. energy: -0.111 local terms energy: -344.980594 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -104.968 flat angles C4'-P-C4' energy: -79.390 flat angles P-C4'-P energy: -69.994 tors. eta vs tors. theta energy: 23.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2274.841543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.841543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.841543 (E_RNA) where: Base-Base interactions energy: -1580.081 where: short stacking energy: -640.390 Base-Backbone interact. energy: 1.359 local terms energy: -696.120255 where: bonds (distance) C4'-P energy: -127.987 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -151.531 flat angles P-C4'-P energy: -92.083 tors. eta vs tors. theta energy: -177.433 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: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2093.720137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.720137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.720137 (E_RNA) where: Base-Base interactions energy: -1378.484 where: short stacking energy: -613.196 Base-Backbone interact. energy: -2.232 local terms energy: -713.003560 where: bonds (distance) C4'-P energy: -132.600 bonds (distance) P-C4' energy: -128.236 flat angles C4'-P-C4' energy: -155.594 flat angles P-C4'-P energy: -110.285 tors. eta vs tors. theta energy: -186.288 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: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1953.724287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.724287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.724287 (E_RNA) where: Base-Base interactions energy: -1302.458 where: short stacking energy: -564.799 Base-Backbone interact. energy: -2.324 local terms energy: -648.942016 where: bonds (distance) C4'-P energy: -117.446 bonds (distance) P-C4' energy: -130.805 flat angles C4'-P-C4' energy: -141.670 flat angles P-C4'-P energy: -101.567 tors. eta vs tors. theta energy: -157.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1857.672126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.672126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.672126 (E_RNA) where: Base-Base interactions energy: -1222.287 where: short stacking energy: -536.869 Base-Backbone interact. energy: -4.568 local terms energy: -630.817455 where: bonds (distance) C4'-P energy: -118.185 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -137.626 flat angles P-C4'-P energy: -79.891 tors. eta vs tors. theta energy: -159.782 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: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1683.637851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.637851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.637851 (E_RNA) where: Base-Base interactions energy: -1090.321 where: short stacking energy: -493.579 Base-Backbone interact. energy: 0.184 local terms energy: -593.501093 where: bonds (distance) C4'-P energy: -112.583 bonds (distance) P-C4' energy: -129.872 flat angles C4'-P-C4' energy: -139.677 flat angles P-C4'-P energy: -82.683 tors. eta vs tors. theta energy: -128.686 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: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1430.195506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.195506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.195506 (E_RNA) where: Base-Base interactions energy: -926.000 where: short stacking energy: -400.889 Base-Backbone interact. energy: 1.251 local terms energy: -505.446131 where: bonds (distance) C4'-P energy: -98.469 bonds (distance) P-C4' energy: -114.488 flat angles C4'-P-C4' energy: -118.666 flat angles P-C4'-P energy: -71.751 tors. eta vs tors. theta energy: -102.071 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: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1282.809482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.809482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.809482 (E_RNA) where: Base-Base interactions energy: -796.294 where: short stacking energy: -351.691 Base-Backbone interact. energy: 5.055 local terms energy: -491.570802 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -138.391 flat angles C4'-P-C4' energy: -122.729 flat angles P-C4'-P energy: -72.885 tors. eta vs tors. theta energy: -54.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1008.592933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.592933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.592933 (E_RNA) where: Base-Base interactions energy: -586.791 where: short stacking energy: -303.057 Base-Backbone interact. energy: -2.574 local terms energy: -419.227430 where: bonds (distance) C4'-P energy: -121.705 bonds (distance) P-C4' energy: -106.614 flat angles C4'-P-C4' energy: -104.571 flat angles P-C4'-P energy: -61.987 tors. eta vs tors. theta energy: -24.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -791.275425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.275425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.275425 (E_RNA) where: Base-Base interactions energy: -412.261 where: short stacking energy: -244.647 Base-Backbone interact. energy: 1.315 local terms energy: -380.329915 where: bonds (distance) C4'-P energy: -101.119 bonds (distance) P-C4' energy: -99.214 flat angles C4'-P-C4' energy: -96.927 flat angles P-C4'-P energy: -53.989 tors. eta vs tors. theta energy: -29.082 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: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -687.919169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.919169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.919169 (E_RNA) where: Base-Base interactions energy: -320.502 where: short stacking energy: -198.458 Base-Backbone interact. energy: 1.368 local terms energy: -368.785071 where: bonds (distance) C4'-P energy: -103.635 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -94.472 flat angles P-C4'-P energy: -63.206 tors. eta vs tors. theta energy: 0.733 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: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2241.609048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.609048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.609048 (E_RNA) where: Base-Base interactions energy: -1531.217 where: short stacking energy: -636.042 Base-Backbone interact. energy: -1.295 local terms energy: -709.097009 where: bonds (distance) C4'-P energy: -127.897 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -146.367 flat angles P-C4'-P energy: -106.182 tors. eta vs tors. theta energy: -173.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2123.322711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.322711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.322711 (E_RNA) where: Base-Base interactions energy: -1449.032 where: short stacking energy: -651.556 Base-Backbone interact. energy: -1.872 local terms energy: -672.418369 where: bonds (distance) C4'-P energy: -115.220 bonds (distance) P-C4' energy: -134.541 flat angles C4'-P-C4' energy: -137.241 flat angles P-C4'-P energy: -97.021 tors. eta vs tors. theta energy: -188.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1964.981025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.981025 (E_RNA) where: Base-Base interactions energy: -1346.852 where: short stacking energy: -603.773 Base-Backbone interact. energy: -1.027 local terms energy: -617.101866 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -113.351 flat angles C4'-P-C4' energy: -141.191 flat angles P-C4'-P energy: -76.968 tors. eta vs tors. theta energy: -163.903 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: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1795.675140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.675140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.675140 (E_RNA) where: Base-Base interactions energy: -1175.272 where: short stacking energy: -524.405 Base-Backbone interact. energy: -2.862 local terms energy: -617.541840 where: bonds (distance) C4'-P energy: -118.303 bonds (distance) P-C4' energy: -116.319 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -92.352 tors. eta vs tors. theta energy: -149.793 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: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1666.815751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.815751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.815751 (E_RNA) where: Base-Base interactions energy: -1087.454 where: short stacking energy: -474.664 Base-Backbone interact. energy: -2.631 local terms energy: -576.731119 where: bonds (distance) C4'-P energy: -112.253 bonds (distance) P-C4' energy: -133.103 flat angles C4'-P-C4' energy: -133.358 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -121.058 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: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1455.912688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.912688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.912688 (E_RNA) where: Base-Base interactions energy: -935.524 where: short stacking energy: -409.060 Base-Backbone interact. energy: -3.098 local terms energy: -517.290260 where: bonds (distance) C4'-P energy: -103.978 bonds (distance) P-C4' energy: -123.688 flat angles C4'-P-C4' energy: -127.100 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -82.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1320.225449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.225449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.225449 (E_RNA) where: Base-Base interactions energy: -814.704 where: short stacking energy: -395.827 Base-Backbone interact. energy: -2.872 local terms energy: -502.650150 where: bonds (distance) C4'-P energy: -119.367 bonds (distance) P-C4' energy: -123.006 flat angles C4'-P-C4' energy: -120.909 flat angles P-C4'-P energy: -58.498 tors. eta vs tors. theta energy: -80.871 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1053.397963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.397963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.397963 (E_RNA) where: Base-Base interactions energy: -611.504 where: short stacking energy: -307.983 Base-Backbone interact. energy: 0.428 local terms energy: -442.321628 where: bonds (distance) C4'-P energy: -110.849 bonds (distance) P-C4' energy: -129.770 flat angles C4'-P-C4' energy: -92.897 flat angles P-C4'-P energy: -64.504 tors. eta vs tors. theta energy: -44.300 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: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -803.297620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.297620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.297620 (E_RNA) where: Base-Base interactions energy: -407.845 where: short stacking energy: -246.775 Base-Backbone interact. energy: 5.531 local terms energy: -400.983871 where: bonds (distance) C4'-P energy: -104.066 bonds (distance) P-C4' energy: -116.013 flat angles C4'-P-C4' energy: -100.154 flat angles P-C4'-P energy: -53.919 tors. eta vs tors. theta energy: -26.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -689.931621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.931621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.931621 (E_RNA) where: Base-Base interactions energy: -339.456 where: short stacking energy: -202.181 Base-Backbone interact. energy: 3.724 local terms energy: -354.200505 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -109.473 flat angles C4'-P-C4' energy: -97.169 flat angles P-C4'-P energy: -56.738 tors. eta vs tors. theta energy: 3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2245.326751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.326751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.326751 (E_RNA) where: Base-Base interactions energy: -1545.391 where: short stacking energy: -650.466 Base-Backbone interact. energy: -0.644 local terms energy: -699.291581 where: bonds (distance) C4'-P energy: -133.323 bonds (distance) P-C4' energy: -149.655 flat angles C4'-P-C4' energy: -137.976 flat angles P-C4'-P energy: -92.110 tors. eta vs tors. theta energy: -186.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2064.425244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.425244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.425244 (E_RNA) where: Base-Base interactions energy: -1384.570 where: short stacking energy: -617.463 Base-Backbone interact. energy: -0.745 local terms energy: -679.110192 where: bonds (distance) C4'-P energy: -120.395 bonds (distance) P-C4' energy: -138.269 flat angles C4'-P-C4' energy: -148.647 flat angles P-C4'-P energy: -96.059 tors. eta vs tors. theta energy: -175.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1973.817033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.817033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.817033 (E_RNA) where: Base-Base interactions energy: -1314.089 where: short stacking energy: -598.051 Base-Backbone interact. energy: -1.818 local terms energy: -657.910218 where: bonds (distance) C4'-P energy: -128.577 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -98.115 tors. eta vs tors. theta energy: -169.550 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: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1809.233770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.233770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.233770 (E_RNA) where: Base-Base interactions energy: -1204.400 where: short stacking energy: -548.013 Base-Backbone interact. energy: -2.269 local terms energy: -602.564696 where: bonds (distance) C4'-P energy: -116.923 bonds (distance) P-C4' energy: -117.775 flat angles C4'-P-C4' energy: -130.714 flat angles P-C4'-P energy: -79.755 tors. eta vs tors. theta energy: -157.397 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: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1682.668732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.668732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.668732 (E_RNA) where: Base-Base interactions energy: -1107.118 where: short stacking energy: -492.472 Base-Backbone interact. energy: -2.961 local terms energy: -572.590355 where: bonds (distance) C4'-P energy: -122.343 bonds (distance) P-C4' energy: -102.202 flat angles C4'-P-C4' energy: -133.339 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -126.225 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: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1480.660769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.660769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.660769 (E_RNA) where: Base-Base interactions energy: -946.789 where: short stacking energy: -412.190 Base-Backbone interact. energy: -3.923 local terms energy: -529.948944 where: bonds (distance) C4'-P energy: -111.492 bonds (distance) P-C4' energy: -133.103 flat angles C4'-P-C4' energy: -135.939 flat angles P-C4'-P energy: -70.026 tors. eta vs tors. theta energy: -79.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1312.554183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.554183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.554183 (E_RNA) where: Base-Base interactions energy: -800.014 where: short stacking energy: -348.355 Base-Backbone interact. energy: -0.636 local terms energy: -511.903888 where: bonds (distance) C4'-P energy: -131.496 bonds (distance) P-C4' energy: -128.814 flat angles C4'-P-C4' energy: -99.384 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -68.887 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: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1037.889157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.889157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.889157 (E_RNA) where: Base-Base interactions energy: -613.300 where: short stacking energy: -306.670 Base-Backbone interact. energy: 12.758 local terms energy: -437.346398 where: bonds (distance) C4'-P energy: -106.336 bonds (distance) P-C4' energy: -113.094 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -64.326 tors. eta vs tors. theta energy: -45.864 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: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -784.396703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.396703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.396703 (E_RNA) where: Base-Base interactions energy: -414.034 where: short stacking energy: -238.412 Base-Backbone interact. energy: 6.994 local terms energy: -377.356640 where: bonds (distance) C4'-P energy: -88.056 bonds (distance) P-C4' energy: -119.632 flat angles C4'-P-C4' energy: -83.790 flat angles P-C4'-P energy: -52.134 tors. eta vs tors. theta energy: -33.745 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: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -707.163260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.163260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.163260 (E_RNA) where: Base-Base interactions energy: -351.899 where: short stacking energy: -202.753 Base-Backbone interact. energy: 3.733 local terms energy: -358.997271 where: bonds (distance) C4'-P energy: -96.919 bonds (distance) P-C4' energy: -113.870 flat angles C4'-P-C4' energy: -90.570 flat angles P-C4'-P energy: -65.479 tors. eta vs tors. theta energy: 7.840 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: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2212.060795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.060795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.060795 (E_RNA) where: Base-Base interactions energy: -1529.381 where: short stacking energy: -619.780 Base-Backbone interact. energy: -4.380 local terms energy: -678.299258 where: bonds (distance) C4'-P energy: -128.263 bonds (distance) P-C4' energy: -132.279 flat angles C4'-P-C4' energy: -147.866 flat angles P-C4'-P energy: -101.137 tors. eta vs tors. theta energy: -168.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2114.851227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.851227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.851227 (E_RNA) where: Base-Base interactions energy: -1431.036 where: short stacking energy: -611.402 Base-Backbone interact. energy: -2.716 local terms energy: -681.099118 where: bonds (distance) C4'-P energy: -129.513 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -141.202 flat angles P-C4'-P energy: -96.612 tors. eta vs tors. theta energy: -180.342 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: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1939.798433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.798433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.798433 (E_RNA) where: Base-Base interactions energy: -1306.138 where: short stacking energy: -573.139 Base-Backbone interact. energy: 1.910 local terms energy: -635.569648 where: bonds (distance) C4'-P energy: -113.986 bonds (distance) P-C4' energy: -123.905 flat angles C4'-P-C4' energy: -154.016 flat angles P-C4'-P energy: -81.616 tors. eta vs tors. theta energy: -162.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1856.339987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.339987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.339987 (E_RNA) where: Base-Base interactions energy: -1246.593 where: short stacking energy: -559.206 Base-Backbone interact. energy: -6.068 local terms energy: -603.679181 where: bonds (distance) C4'-P energy: -111.882 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -138.073 flat angles P-C4'-P energy: -80.031 tors. eta vs tors. theta energy: -165.717 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: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1678.577695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.577695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.577695 (E_RNA) where: Base-Base interactions energy: -1099.499 where: short stacking energy: -478.920 Base-Backbone interact. energy: -1.292 local terms energy: -577.786714 where: bonds (distance) C4'-P energy: -131.469 bonds (distance) P-C4' energy: -103.202 flat angles C4'-P-C4' energy: -127.568 flat angles P-C4'-P energy: -87.373 tors. eta vs tors. theta energy: -128.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1483.386029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.386029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.386029 (E_RNA) where: Base-Base interactions energy: -946.584 where: short stacking energy: -420.963 Base-Backbone interact. energy: -2.331 local terms energy: -534.471646 where: bonds (distance) C4'-P energy: -107.634 bonds (distance) P-C4' energy: -116.344 flat angles C4'-P-C4' energy: -132.041 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -92.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1262.730055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.730055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.730055 (E_RNA) where: Base-Base interactions energy: -771.123 where: short stacking energy: -389.690 Base-Backbone interact. energy: 2.255 local terms energy: -493.862651 where: bonds (distance) C4'-P energy: -106.785 bonds (distance) P-C4' energy: -117.042 flat angles C4'-P-C4' energy: -118.860 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: -80.444 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: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1014.882577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.882577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.882577 (E_RNA) where: Base-Base interactions energy: -590.204 where: short stacking energy: -277.072 Base-Backbone interact. energy: -0.743 local terms energy: -423.935396 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -110.917 flat angles C4'-P-C4' energy: -106.217 flat angles P-C4'-P energy: -65.259 tors. eta vs tors. theta energy: -31.714 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: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -792.323793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.323793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.323793 (E_RNA) where: Base-Base interactions energy: -412.303 where: short stacking energy: -232.460 Base-Backbone interact. energy: -2.788 local terms energy: -377.232542 where: bonds (distance) C4'-P energy: -108.375 bonds (distance) P-C4' energy: -101.859 flat angles C4'-P-C4' energy: -100.068 flat angles P-C4'-P energy: -66.914 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: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -733.638497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.638497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.638497 (E_RNA) where: Base-Base interactions energy: -342.774 where: short stacking energy: -208.348 Base-Backbone interact. energy: -5.063 local terms energy: -385.801363 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -120.129 flat angles C4'-P-C4' energy: -107.400 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2184.003628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.003628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.003628 (E_RNA) where: Base-Base interactions energy: -1483.635 where: short stacking energy: -618.473 Base-Backbone interact. energy: -3.288 local terms energy: -697.080998 where: bonds (distance) C4'-P energy: -114.884 bonds (distance) P-C4' energy: -139.123 flat angles C4'-P-C4' energy: -158.155 flat angles P-C4'-P energy: -110.178 tors. eta vs tors. theta energy: -174.740 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: 2, replica: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2162.199766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.199766 (E_RNA) where: Base-Base interactions energy: -1518.144 where: short stacking energy: -627.910 Base-Backbone interact. energy: -1.682 local terms energy: -642.373964 where: bonds (distance) C4'-P energy: -126.967 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -135.321 flat angles P-C4'-P energy: -94.882 tors. eta vs tors. theta energy: -164.953 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: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1954.097346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.097346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.097346 (E_RNA) where: Base-Base interactions energy: -1298.981 where: short stacking energy: -564.200 Base-Backbone interact. energy: -3.357 local terms energy: -651.758700 where: bonds (distance) C4'-P energy: -129.160 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -146.056 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -154.228 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: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1850.289687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.289687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.289687 (E_RNA) where: Base-Base interactions energy: -1204.957 where: short stacking energy: -561.743 Base-Backbone interact. energy: 0.627 local terms energy: -645.959621 where: bonds (distance) C4'-P energy: -126.234 bonds (distance) P-C4' energy: -142.271 flat angles C4'-P-C4' energy: -147.107 flat angles P-C4'-P energy: -72.052 tors. eta vs tors. theta energy: -158.296 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1688.089734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.089734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.089734 (E_RNA) where: Base-Base interactions energy: -1114.614 where: short stacking energy: -502.496 Base-Backbone interact. energy: -4.356 local terms energy: -569.119947 where: bonds (distance) C4'-P energy: -115.583 bonds (distance) P-C4' energy: -121.868 flat angles C4'-P-C4' energy: -133.391 flat angles P-C4'-P energy: -72.205 tors. eta vs tors. theta energy: -126.074 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: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1381.289319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.289319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.289319 (E_RNA) where: Base-Base interactions energy: -867.303 where: short stacking energy: -394.893 Base-Backbone interact. energy: 1.071 local terms energy: -515.056951 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -134.141 flat angles C4'-P-C4' energy: -124.607 flat angles P-C4'-P energy: -78.691 tors. eta vs tors. theta energy: -78.686 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: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1262.324735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.324735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.324735 (E_RNA) where: Base-Base interactions energy: -734.327 where: short stacking energy: -352.332 Base-Backbone interact. energy: -0.921 local terms energy: -527.076162 where: bonds (distance) C4'-P energy: -118.856 bonds (distance) P-C4' energy: -130.617 flat angles C4'-P-C4' energy: -118.845 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -80.089 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: 68 Temperature: 1.250000 Total energy: -968.639262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.639262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.639262 (E_RNA) where: Base-Base interactions energy: -520.640 where: short stacking energy: -274.049 Base-Backbone interact. energy: -0.748 local terms energy: -447.251222 where: bonds (distance) C4'-P energy: -126.240 bonds (distance) P-C4' energy: -99.635 flat angles C4'-P-C4' energy: -124.062 flat angles P-C4'-P energy: -63.729 tors. eta vs tors. theta energy: -33.584 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: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -776.201207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.201207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.201207 (E_RNA) where: Base-Base interactions energy: -367.465 where: short stacking energy: -232.953 Base-Backbone interact. energy: 1.213 local terms energy: -409.948741 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -118.011 flat angles C4'-P-C4' energy: -89.243 flat angles P-C4'-P energy: -57.081 tors. eta vs tors. theta energy: -30.506 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -692.383068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.383068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.383068 (E_RNA) where: Base-Base interactions energy: -335.095 where: short stacking energy: -203.036 Base-Backbone interact. energy: 2.560 local terms energy: -359.848473 where: bonds (distance) C4'-P energy: -104.028 bonds (distance) P-C4' energy: -99.903 flat angles C4'-P-C4' energy: -90.395 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -4.278 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: 1, replica: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2167.210798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.210798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.210798 (E_RNA) where: Base-Base interactions energy: -1464.611 where: short stacking energy: -644.170 Base-Backbone interact. energy: -0.303 local terms energy: -702.297126 where: bonds (distance) C4'-P energy: -138.127 bonds (distance) P-C4' energy: -144.250 flat angles C4'-P-C4' energy: -156.347 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -179.371 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: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2142.312323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.312323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.312323 (E_RNA) where: Base-Base interactions energy: -1508.791 where: short stacking energy: -602.971 Base-Backbone interact. energy: -0.743 local terms energy: -632.778086 where: bonds (distance) C4'-P energy: -128.196 bonds (distance) P-C4' energy: -124.970 flat angles C4'-P-C4' energy: -142.660 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -154.363 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: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1968.814818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.814818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.814818 (E_RNA) where: Base-Base interactions energy: -1303.736 where: short stacking energy: -604.022 Base-Backbone interact. energy: 3.179 local terms energy: -668.257754 where: bonds (distance) C4'-P energy: -121.596 bonds (distance) P-C4' energy: -132.654 flat angles C4'-P-C4' energy: -148.048 flat angles P-C4'-P energy: -91.085 tors. eta vs tors. theta energy: -174.875 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: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1825.424558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.424558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.424558 (E_RNA) where: Base-Base interactions energy: -1212.379 where: short stacking energy: -553.465 Base-Backbone interact. energy: -5.005 local terms energy: -608.040159 where: bonds (distance) C4'-P energy: -120.013 bonds (distance) P-C4' energy: -136.490 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -89.527 tors. eta vs tors. theta energy: -138.507 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1682.210217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.210217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.210217 (E_RNA) where: Base-Base interactions energy: -1087.963 where: short stacking energy: -473.521 Base-Backbone interact. energy: -4.719 local terms energy: -589.527513 where: bonds (distance) C4'-P energy: -120.502 bonds (distance) P-C4' energy: -122.322 flat angles C4'-P-C4' energy: -130.194 flat angles P-C4'-P energy: -95.177 tors. eta vs tors. theta energy: -121.333 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: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1433.079190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.079190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.079190 (E_RNA) where: Base-Base interactions energy: -924.528 where: short stacking energy: -421.082 Base-Backbone interact. energy: -1.222 local terms energy: -507.328843 where: bonds (distance) C4'-P energy: -117.268 bonds (distance) P-C4' energy: -102.329 flat angles C4'-P-C4' energy: -127.009 flat angles P-C4'-P energy: -72.769 tors. eta vs tors. theta energy: -87.954 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: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1268.840729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.840729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.840729 (E_RNA) where: Base-Base interactions energy: -773.524 where: short stacking energy: -378.829 Base-Backbone interact. energy: -2.887 local terms energy: -492.429211 where: bonds (distance) C4'-P energy: -100.473 bonds (distance) P-C4' energy: -104.240 flat angles C4'-P-C4' energy: -135.087 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -82.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -969.385286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.385286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.385286 (E_RNA) where: Base-Base interactions energy: -549.257 where: short stacking energy: -295.797 Base-Backbone interact. energy: 4.964 local terms energy: -425.091714 where: bonds (distance) C4'-P energy: -92.476 bonds (distance) P-C4' energy: -126.794 flat angles C4'-P-C4' energy: -112.742 flat angles P-C4'-P energy: -51.332 tors. eta vs tors. theta energy: -41.747 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: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -820.823188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.823188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.823188 (E_RNA) where: Base-Base interactions energy: -424.939 where: short stacking energy: -247.020 Base-Backbone interact. energy: -1.860 local terms energy: -394.023487 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -109.328 flat angles C4'-P-C4' energy: -107.892 flat angles P-C4'-P energy: -54.320 tors. eta vs tors. theta energy: -5.381 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: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -688.412355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.412355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.412355 (E_RNA) where: Base-Base interactions energy: -326.720 where: short stacking energy: -191.629 Base-Backbone interact. energy: 1.631 local terms energy: -363.323549 where: bonds (distance) C4'-P energy: -97.235 bonds (distance) P-C4' energy: -111.937 flat angles C4'-P-C4' energy: -82.958 flat angles P-C4'-P energy: -74.828 tors. eta vs tors. theta energy: 3.635 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: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2227.962991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.962991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.962991 (E_RNA) where: Base-Base interactions energy: -1549.692 where: short stacking energy: -620.035 Base-Backbone interact. energy: -5.424 local terms energy: -672.846956 where: bonds (distance) C4'-P energy: -134.305 bonds (distance) P-C4' energy: -142.326 flat angles C4'-P-C4' energy: -143.746 flat angles P-C4'-P energy: -80.043 tors. eta vs tors. theta energy: -172.427 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: 2, replica: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2106.957374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.957374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.957374 (E_RNA) where: Base-Base interactions energy: -1427.643 where: short stacking energy: -625.366 Base-Backbone interact. energy: -0.868 local terms energy: -678.446174 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -139.055 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -97.102 tors. eta vs tors. theta energy: -169.815 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: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1942.335669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.335669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.335669 (E_RNA) where: Base-Base interactions energy: -1289.774 where: short stacking energy: -555.976 Base-Backbone interact. energy: -1.813 local terms energy: -650.748613 where: bonds (distance) C4'-P energy: -117.322 bonds (distance) P-C4' energy: -137.969 flat angles C4'-P-C4' energy: -145.213 flat angles P-C4'-P energy: -94.790 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: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1856.707196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.707196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.707196 (E_RNA) where: Base-Base interactions energy: -1248.390 where: short stacking energy: -532.077 Base-Backbone interact. energy: -1.408 local terms energy: -606.909402 where: bonds (distance) C4'-P energy: -117.750 bonds (distance) P-C4' energy: -116.294 flat angles C4'-P-C4' energy: -140.312 flat angles P-C4'-P energy: -84.612 tors. eta vs tors. theta energy: -147.941 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: 5, replica: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1729.059054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.059054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.059054 (E_RNA) where: Base-Base interactions energy: -1115.011 where: short stacking energy: -512.285 Base-Backbone interact. energy: -0.680 local terms energy: -613.368030 where: bonds (distance) C4'-P energy: -126.759 bonds (distance) P-C4' energy: -130.485 flat angles C4'-P-C4' energy: -135.919 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -140.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1467.134614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.134614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.134614 (E_RNA) where: Base-Base interactions energy: -920.019 where: short stacking energy: -403.350 Base-Backbone interact. energy: 0.929 local terms energy: -548.044741 where: bonds (distance) C4'-P energy: -113.929 bonds (distance) P-C4' energy: -129.184 flat angles C4'-P-C4' energy: -138.840 flat angles P-C4'-P energy: -83.216 tors. eta vs tors. theta energy: -82.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1309.553724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.553724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.553724 (E_RNA) where: Base-Base interactions energy: -799.048 where: short stacking energy: -376.876 Base-Backbone interact. energy: -2.618 local terms energy: -507.887521 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -120.191 flat angles C4'-P-C4' energy: -126.736 flat angles P-C4'-P energy: -57.655 tors. eta vs tors. theta energy: -86.202 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: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -991.394797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.394797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.394797 (E_RNA) where: Base-Base interactions energy: -550.063 where: short stacking energy: -286.259 Base-Backbone interact. energy: 3.392 local terms energy: -444.723636 where: bonds (distance) C4'-P energy: -120.796 bonds (distance) P-C4' energy: -97.976 flat angles C4'-P-C4' energy: -104.199 flat angles P-C4'-P energy: -83.595 tors. eta vs tors. theta energy: -38.158 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: 9, replica: 6 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -818.018342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.018342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.018342 (E_RNA) where: Base-Base interactions energy: -413.390 where: short stacking energy: -235.098 Base-Backbone interact. energy: 2.535 local terms energy: -407.163964 where: bonds (distance) C4'-P energy: -93.637 bonds (distance) P-C4' energy: -131.470 flat angles C4'-P-C4' energy: -103.715 flat angles P-C4'-P energy: -55.060 tors. eta vs tors. theta energy: -23.282 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: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -573.114775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.114775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.114775 (E_RNA) where: Base-Base interactions energy: -221.996 where: short stacking energy: -170.092 Base-Backbone interact. energy: 0.459 local terms energy: -351.577561 where: bonds (distance) C4'-P energy: -101.675 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -88.989 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: 12.494 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2247.032689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.032689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.032689 (E_RNA) where: Base-Base interactions energy: -1566.968 where: short stacking energy: -660.335 Base-Backbone interact. energy: 0.060 local terms energy: -680.125173 where: bonds (distance) C4'-P energy: -123.247 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -156.418 flat angles P-C4'-P energy: -99.413 tors. eta vs tors. theta energy: -170.677 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: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2151.116038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.116038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.116038 (E_RNA) where: Base-Base interactions energy: -1466.991 where: short stacking energy: -668.212 Base-Backbone interact. energy: -1.583 local terms energy: -682.541435 where: bonds (distance) C4'-P energy: -123.778 bonds (distance) P-C4' energy: -132.650 flat angles C4'-P-C4' energy: -145.379 flat angles P-C4'-P energy: -82.910 tors. eta vs tors. theta energy: -197.825 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: 8 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1974.106597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.106597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.106597 (E_RNA) where: Base-Base interactions energy: -1297.578 where: short stacking energy: -590.982 Base-Backbone interact. energy: -1.570 local terms energy: -674.958572 where: bonds (distance) C4'-P energy: -140.313 bonds (distance) P-C4' energy: -130.589 flat angles C4'-P-C4' energy: -148.574 flat angles P-C4'-P energy: -84.730 tors. eta vs tors. theta energy: -170.752 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: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1848.759744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.759744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.759744 (E_RNA) where: Base-Base interactions energy: -1215.419 where: short stacking energy: -584.858 Base-Backbone interact. energy: -1.696 local terms energy: -631.644370 where: bonds (distance) C4'-P energy: -116.546 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -141.511 flat angles P-C4'-P energy: -83.440 tors. eta vs tors. theta energy: -165.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1742.887768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.887768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.887768 (E_RNA) where: Base-Base interactions energy: -1143.759 where: short stacking energy: -483.793 Base-Backbone interact. energy: -2.949 local terms energy: -596.180483 where: bonds (distance) C4'-P energy: -126.950 bonds (distance) P-C4' energy: -128.698 flat angles C4'-P-C4' energy: -130.192 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -127.893 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: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1536.723748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.723748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.723748 (E_RNA) where: Base-Base interactions energy: -1008.232 where: short stacking energy: -448.481 Base-Backbone interact. energy: 2.925 local terms energy: -531.416236 where: bonds (distance) C4'-P energy: -101.920 bonds (distance) P-C4' energy: -123.834 flat angles C4'-P-C4' energy: -130.280 flat angles P-C4'-P energy: -85.970 tors. eta vs tors. theta energy: -89.412 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: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1298.592833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.592833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.592833 (E_RNA) where: Base-Base interactions energy: -781.893 where: short stacking energy: -402.868 Base-Backbone interact. energy: -0.858 local terms energy: -515.841718 where: bonds (distance) C4'-P energy: -111.385 bonds (distance) P-C4' energy: -120.994 flat angles C4'-P-C4' energy: -127.334 flat angles P-C4'-P energy: -69.389 tors. eta vs tors. theta energy: -86.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -838.921856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.921856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.921856 (E_RNA) where: Base-Base interactions energy: -443.168 where: short stacking energy: -270.447 Base-Backbone interact. energy: 8.742 local terms energy: -404.495254 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -113.777 flat angles C4'-P-C4' energy: -99.343 flat angles P-C4'-P energy: -68.780 tors. eta vs tors. theta energy: -23.312 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: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -906.498556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.498556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.498556 (E_RNA) where: Base-Base interactions energy: -499.886 where: short stacking energy: -262.098 Base-Backbone interact. energy: -0.978 local terms energy: -405.635054 where: bonds (distance) C4'-P energy: -95.802 bonds (distance) P-C4' energy: -111.178 flat angles C4'-P-C4' energy: -95.490 flat angles P-C4'-P energy: -71.401 tors. eta vs tors. theta energy: -31.765 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: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -516.130309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.130309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.130309 (E_RNA) where: Base-Base interactions energy: -169.829 where: short stacking energy: -137.027 Base-Backbone interact. energy: 4.130 local terms energy: -350.431273 where: bonds (distance) C4'-P energy: -107.907 bonds (distance) P-C4' energy: -108.096 flat angles C4'-P-C4' energy: -101.255 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: 10.547 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: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2249.915798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.915798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.915798 (E_RNA) where: Base-Base interactions energy: -1575.047 where: short stacking energy: -632.879 Base-Backbone interact. energy: -3.536 local terms energy: -671.333497 where: bonds (distance) C4'-P energy: -137.845 bonds (distance) P-C4' energy: -120.034 flat angles C4'-P-C4' energy: -151.072 flat angles P-C4'-P energy: -91.434 tors. eta vs tors. theta energy: -170.948 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: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2156.021211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.021211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.021211 (E_RNA) where: Base-Base interactions energy: -1445.353 where: short stacking energy: -633.641 Base-Backbone interact. energy: -1.376 local terms energy: -709.291985 where: bonds (distance) C4'-P energy: -139.750 bonds (distance) P-C4' energy: -136.788 flat angles C4'-P-C4' energy: -152.708 flat angles P-C4'-P energy: -94.631 tors. eta vs tors. theta energy: -185.414 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: 3, replica: 8 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1984.867508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.867508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.867508 (E_RNA) where: Base-Base interactions energy: -1327.854 where: short stacking energy: -567.592 Base-Backbone interact. energy: -3.409 local terms energy: -653.604382 where: bonds (distance) C4'-P energy: -123.083 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -136.718 flat angles P-C4'-P energy: -82.450 tors. eta vs tors. theta energy: -178.061 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1826.072390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.072390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.072390 (E_RNA) where: Base-Base interactions energy: -1193.509 where: short stacking energy: -544.522 Base-Backbone interact. energy: 3.612 local terms energy: -636.175081 where: bonds (distance) C4'-P energy: -128.261 bonds (distance) P-C4' energy: -137.391 flat angles C4'-P-C4' energy: -129.371 flat angles P-C4'-P energy: -93.596 tors. eta vs tors. theta energy: -147.556 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: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1730.453524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.453524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.453524 (E_RNA) where: Base-Base interactions energy: -1169.719 where: short stacking energy: -522.221 Base-Backbone interact. energy: -1.983 local terms energy: -558.751861 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -107.160 flat angles C4'-P-C4' energy: -147.695 flat angles P-C4'-P energy: -64.848 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: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1512.904916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.904916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.904916 (E_RNA) where: Base-Base interactions energy: -965.289 where: short stacking energy: -426.211 Base-Backbone interact. energy: 0.685 local terms energy: -548.301142 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -124.261 flat angles C4'-P-C4' energy: -128.740 flat angles P-C4'-P energy: -92.735 tors. eta vs tors. theta energy: -99.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1291.534018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.534018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.534018 (E_RNA) where: Base-Base interactions energy: -810.208 where: short stacking energy: -376.717 Base-Backbone interact. energy: 4.941 local terms energy: -486.267288 where: bonds (distance) C4'-P energy: -106.719 bonds (distance) P-C4' energy: -107.230 flat angles C4'-P-C4' energy: -118.473 flat angles P-C4'-P energy: -83.171 tors. eta vs tors. theta energy: -70.675 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: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -894.009829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.009829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.009829 (E_RNA) where: Base-Base interactions energy: -443.810 where: short stacking energy: -252.004 Base-Backbone interact. energy: -1.025 local terms energy: -449.174892 where: bonds (distance) C4'-P energy: -124.300 bonds (distance) P-C4' energy: -116.201 flat angles C4'-P-C4' energy: -108.661 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -25.835 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: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -828.794177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.794177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.794177 (E_RNA) where: Base-Base interactions energy: -437.774 where: short stacking energy: -246.117 Base-Backbone interact. energy: -2.233 local terms energy: -388.787466 where: bonds (distance) C4'-P energy: -102.130 bonds (distance) P-C4' energy: -125.262 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -13.271 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: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -534.530814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.530814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.530814 (E_RNA) where: Base-Base interactions energy: -181.666 where: short stacking energy: -122.827 Base-Backbone interact. energy: 0.518 local terms energy: -353.382250 where: bonds (distance) C4'-P energy: -110.030 bonds (distance) P-C4' energy: -117.383 flat angles C4'-P-C4' energy: -88.963 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: 14.789 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: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2244.003002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.003002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.003002 (E_RNA) where: Base-Base interactions energy: -1582.650 where: short stacking energy: -633.389 Base-Backbone interact. energy: 2.956 local terms energy: -664.308925 where: bonds (distance) C4'-P energy: -131.027 bonds (distance) P-C4' energy: -136.244 flat angles C4'-P-C4' energy: -144.859 flat angles P-C4'-P energy: -75.858 tors. eta vs tors. theta energy: -176.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2161.624687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.624687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.624687 (E_RNA) where: Base-Base interactions energy: -1466.192 where: short stacking energy: -621.533 Base-Backbone interact. energy: -6.239 local terms energy: -689.192920 where: bonds (distance) C4'-P energy: -120.202 bonds (distance) P-C4' energy: -143.601 flat angles C4'-P-C4' energy: -138.913 flat angles P-C4'-P energy: -101.504 tors. eta vs tors. theta energy: -184.974 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: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1971.761599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.761599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.761599 (E_RNA) where: Base-Base interactions energy: -1300.133 where: short stacking energy: -588.596 Base-Backbone interact. energy: -0.381 local terms energy: -671.247421 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -124.766 flat angles C4'-P-C4' energy: -149.995 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -175.506 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1790.431030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.431030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.431030 (E_RNA) where: Base-Base interactions energy: -1188.940 where: short stacking energy: -540.713 Base-Backbone interact. energy: -3.022 local terms energy: -598.469159 where: bonds (distance) C4'-P energy: -108.897 bonds (distance) P-C4' energy: -132.143 flat angles C4'-P-C4' energy: -137.215 flat angles P-C4'-P energy: -74.704 tors. eta vs tors. theta energy: -145.510 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: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1710.283913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.283913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.283913 (E_RNA) where: Base-Base interactions energy: -1142.768 where: short stacking energy: -519.959 Base-Backbone interact. energy: -2.936 local terms energy: -564.580136 where: bonds (distance) C4'-P energy: -115.137 bonds (distance) P-C4' energy: -110.470 flat angles C4'-P-C4' energy: -141.139 flat angles P-C4'-P energy: -78.927 tors. eta vs tors. theta energy: -118.906 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: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1492.482714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.482714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.482714 (E_RNA) where: Base-Base interactions energy: -973.206 where: short stacking energy: -457.136 Base-Backbone interact. energy: -0.890 local terms energy: -518.386170 where: bonds (distance) C4'-P energy: -108.073 bonds (distance) P-C4' energy: -117.135 flat angles C4'-P-C4' energy: -119.521 flat angles P-C4'-P energy: -82.153 tors. eta vs tors. theta energy: -91.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1252.603871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.603871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.603871 (E_RNA) where: Base-Base interactions energy: -757.871 where: short stacking energy: -388.123 Base-Backbone interact. energy: -0.151 local terms energy: -494.582123 where: bonds (distance) C4'-P energy: -108.692 bonds (distance) P-C4' energy: -130.367 flat angles C4'-P-C4' energy: -118.769 flat angles P-C4'-P energy: -63.635 tors. eta vs tors. theta energy: -73.120 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: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -893.373657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.373657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.373657 (E_RNA) where: Base-Base interactions energy: -486.476 where: short stacking energy: -254.719 Base-Backbone interact. energy: 0.904 local terms energy: -407.801288 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -110.038 flat angles C4'-P-C4' energy: -103.301 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -40.606 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: 6 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -869.957899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.957899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.957899 (E_RNA) where: Base-Base interactions energy: -445.642 where: short stacking energy: -245.752 Base-Backbone interact. energy: -3.809 local terms energy: -420.507220 where: bonds (distance) C4'-P energy: -107.870 bonds (distance) P-C4' energy: -136.302 flat angles C4'-P-C4' energy: -101.850 flat angles P-C4'-P energy: -60.408 tors. eta vs tors. theta energy: -14.077 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: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -543.037981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.037981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.037981 (E_RNA) where: Base-Base interactions energy: -168.077 where: short stacking energy: -132.172 Base-Backbone interact. energy: -0.683 local terms energy: -374.278541 where: bonds (distance) C4'-P energy: -111.605 bonds (distance) P-C4' energy: -129.560 flat angles C4'-P-C4' energy: -99.996 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: 23.953 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: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2259.821102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.821102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.821102 (E_RNA) where: Base-Base interactions energy: -1587.429 where: short stacking energy: -638.963 Base-Backbone interact. energy: -4.002 local terms energy: -668.390273 where: bonds (distance) C4'-P energy: -134.884 bonds (distance) P-C4' energy: -131.984 flat angles C4'-P-C4' energy: -151.358 flat angles P-C4'-P energy: -82.549 tors. eta vs tors. theta energy: -167.615 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: 2, replica: 10 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2111.536263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.536263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.536263 (E_RNA) where: Base-Base interactions energy: -1401.349 where: short stacking energy: -626.211 Base-Backbone interact. energy: -1.931 local terms energy: -708.255458 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -146.183 flat angles C4'-P-C4' energy: -145.646 flat angles P-C4'-P energy: -101.730 tors. eta vs tors. theta energy: -190.780 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: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1970.713043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.713043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.713043 (E_RNA) where: Base-Base interactions energy: -1320.548 where: short stacking energy: -594.480 Base-Backbone interact. energy: -2.349 local terms energy: -647.816574 where: bonds (distance) C4'-P energy: -120.557 bonds (distance) P-C4' energy: -122.207 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -105.224 tors. eta vs tors. theta energy: -162.992 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: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1832.067827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.067827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.067827 (E_RNA) where: Base-Base interactions energy: -1191.267 where: short stacking energy: -576.714 Base-Backbone interact. energy: -0.040 local terms energy: -640.760292 where: bonds (distance) C4'-P energy: -127.598 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -151.129 flat angles P-C4'-P energy: -90.956 tors. eta vs tors. theta energy: -169.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1718.924578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.924578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.924578 (E_RNA) where: Base-Base interactions energy: -1174.554 where: short stacking energy: -513.050 Base-Backbone interact. energy: -1.642 local terms energy: -542.729519 where: bonds (distance) C4'-P energy: -114.921 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -123.261 flat angles P-C4'-P energy: -69.064 tors. eta vs tors. theta energy: -121.785 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: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1530.752914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.752914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.752914 (E_RNA) where: Base-Base interactions energy: -969.078 where: short stacking energy: -457.259 Base-Backbone interact. energy: -2.408 local terms energy: -559.267258 where: bonds (distance) C4'-P energy: -127.324 bonds (distance) P-C4' energy: -105.515 flat angles C4'-P-C4' energy: -139.620 flat angles P-C4'-P energy: -86.552 tors. eta vs tors. theta energy: -100.257 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: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1284.379503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.379503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.379503 (E_RNA) where: Base-Base interactions energy: -809.687 where: short stacking energy: -389.726 Base-Backbone interact. energy: -0.175 local terms energy: -474.517360 where: bonds (distance) C4'-P energy: -122.787 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -99.659 flat angles P-C4'-P energy: -58.788 tors. eta vs tors. theta energy: -73.252 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: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1002.791415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.791415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.791415 (E_RNA) where: Base-Base interactions energy: -558.375 where: short stacking energy: -312.901 Base-Backbone interact. energy: 3.677 local terms energy: -448.093458 where: bonds (distance) C4'-P energy: -101.463 bonds (distance) P-C4' energy: -102.363 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -78.137 tors. eta vs tors. theta energy: -63.562 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: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -855.328401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.328401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.328401 (E_RNA) where: Base-Base interactions energy: -451.107 where: short stacking energy: -255.717 Base-Backbone interact. energy: -0.720 local terms energy: -403.501098 where: bonds (distance) C4'-P energy: -99.664 bonds (distance) P-C4' energy: -111.562 flat angles C4'-P-C4' energy: -101.203 flat angles P-C4'-P energy: -69.658 tors. eta vs tors. theta energy: -21.415 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: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -490.710352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.710352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.710352 (E_RNA) where: Base-Base interactions energy: -194.144 where: short stacking energy: -161.988 Base-Backbone interact. energy: 0.647 local terms energy: -297.212382 where: bonds (distance) C4'-P energy: -91.156 bonds (distance) P-C4' energy: -105.667 flat angles C4'-P-C4' energy: -88.296 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: 42.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2242.231418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.231418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.231418 (E_RNA) where: Base-Base interactions energy: -1559.304 where: short stacking energy: -645.944 Base-Backbone interact. energy: -2.747 local terms energy: -680.179604 where: bonds (distance) C4'-P energy: -119.694 bonds (distance) P-C4' energy: -134.034 flat angles C4'-P-C4' energy: -153.711 flat angles P-C4'-P energy: -95.776 tors. eta vs tors. theta energy: -176.965 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: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2124.739833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.739833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.739833 (E_RNA) where: Base-Base interactions energy: -1454.236 where: short stacking energy: -633.060 Base-Backbone interact. energy: -0.790 local terms energy: -669.713855 where: bonds (distance) C4'-P energy: -122.224 bonds (distance) P-C4' energy: -128.410 flat angles C4'-P-C4' energy: -140.960 flat angles P-C4'-P energy: -98.786 tors. eta vs tors. theta energy: -179.334 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: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1950.048136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.048136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.048136 (E_RNA) where: Base-Base interactions energy: -1310.387 where: short stacking energy: -566.842 Base-Backbone interact. energy: -2.994 local terms energy: -636.667655 where: bonds (distance) C4'-P energy: -119.175 bonds (distance) P-C4' energy: -128.311 flat angles C4'-P-C4' energy: -145.372 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -148.783 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: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1852.780187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.780187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.780187 (E_RNA) where: Base-Base interactions energy: -1231.050 where: short stacking energy: -575.432 Base-Backbone interact. energy: -5.661 local terms energy: -616.068546 where: bonds (distance) C4'-P energy: -108.901 bonds (distance) P-C4' energy: -115.648 flat angles C4'-P-C4' energy: -145.133 flat angles P-C4'-P energy: -92.892 tors. eta vs tors. theta energy: -153.494 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1767.630945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.630945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.630945 (E_RNA) where: Base-Base interactions energy: -1170.854 where: short stacking energy: -529.229 Base-Backbone interact. energy: -1.056 local terms energy: -595.720054 where: bonds (distance) C4'-P energy: -121.299 bonds (distance) P-C4' energy: -119.658 flat angles C4'-P-C4' energy: -152.995 flat angles P-C4'-P energy: -75.657 tors. eta vs tors. theta energy: -126.111 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: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1473.241581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.241581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.241581 (E_RNA) where: Base-Base interactions energy: -938.951 where: short stacking energy: -428.478 Base-Backbone interact. energy: -3.038 local terms energy: -531.253230 where: bonds (distance) C4'-P energy: -106.405 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -115.149 flat angles P-C4'-P energy: -81.061 tors. eta vs tors. theta energy: -102.476 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: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1223.515168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.515168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.515168 (E_RNA) where: Base-Base interactions energy: -754.763 where: short stacking energy: -384.533 Base-Backbone interact. energy: -1.649 local terms energy: -467.103904 where: bonds (distance) C4'-P energy: -96.271 bonds (distance) P-C4' energy: -105.721 flat angles C4'-P-C4' energy: -122.602 flat angles P-C4'-P energy: -66.239 tors. eta vs tors. theta energy: -76.272 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: 75 Temperature: 1.250000 Total energy: -1069.682026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.682026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.682026 (E_RNA) where: Base-Base interactions energy: -616.789 where: short stacking energy: -333.280 Base-Backbone interact. energy: -0.198 local terms energy: -452.695284 where: bonds (distance) C4'-P energy: -95.980 bonds (distance) P-C4' energy: -104.542 flat angles C4'-P-C4' energy: -121.532 flat angles P-C4'-P energy: -69.814 tors. eta vs tors. theta energy: -60.828 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: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -780.891823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.891823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.891823 (E_RNA) where: Base-Base interactions energy: -375.693 where: short stacking energy: -222.867 Base-Backbone interact. energy: 3.853 local terms energy: -409.051878 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -108.169 flat angles C4'-P-C4' energy: -101.487 flat angles P-C4'-P energy: -60.270 tors. eta vs tors. theta energy: -9.645 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: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -518.140268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.140268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.140268 (E_RNA) where: Base-Base interactions energy: -147.579 where: short stacking energy: -118.031 Base-Backbone interact. energy: -0.347 local terms energy: -370.214297 where: bonds (distance) C4'-P energy: -105.160 bonds (distance) P-C4' energy: -113.947 flat angles C4'-P-C4' energy: -108.298 flat angles P-C4'-P energy: -69.580 tors. eta vs tors. theta energy: 26.771 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: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2249.198483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.198483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.198483 (E_RNA) where: Base-Base interactions energy: -1566.645 where: short stacking energy: -646.511 Base-Backbone interact. energy: -5.503 local terms energy: -677.050425 where: bonds (distance) C4'-P energy: -119.496 bonds (distance) P-C4' energy: -132.053 flat angles C4'-P-C4' energy: -156.259 flat angles P-C4'-P energy: -92.890 tors. eta vs tors. theta energy: -176.353 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: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2114.164763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.164763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.164763 (E_RNA) where: Base-Base interactions energy: -1453.486 where: short stacking energy: -624.047 Base-Backbone interact. energy: -1.141 local terms energy: -659.536940 where: bonds (distance) C4'-P energy: -118.624 bonds (distance) P-C4' energy: -124.044 flat angles C4'-P-C4' energy: -135.585 flat angles P-C4'-P energy: -96.762 tors. eta vs tors. theta energy: -184.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1964.089278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.089278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.089278 (E_RNA) where: Base-Base interactions energy: -1316.321 where: short stacking energy: -597.768 Base-Backbone interact. energy: -3.280 local terms energy: -644.487866 where: bonds (distance) C4'-P energy: -121.671 bonds (distance) P-C4' energy: -127.266 flat angles C4'-P-C4' energy: -143.281 flat angles P-C4'-P energy: -84.152 tors. eta vs tors. theta energy: -168.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1780.528583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.528583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.528583 (E_RNA) where: Base-Base interactions energy: -1149.817 where: short stacking energy: -550.189 Base-Backbone interact. energy: -1.112 local terms energy: -629.598715 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -132.279 flat angles C4'-P-C4' energy: -135.379 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -167.482 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: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1755.358137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.358137 (E_RNA) where: Base-Base interactions energy: -1207.940 where: short stacking energy: -507.382 Base-Backbone interact. energy: -2.360 local terms energy: -545.058859 where: bonds (distance) C4'-P energy: -88.492 bonds (distance) P-C4' energy: -108.020 flat angles C4'-P-C4' energy: -130.950 flat angles P-C4'-P energy: -91.534 tors. eta vs tors. theta energy: -126.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1490.866805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.866805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.866805 (E_RNA) where: Base-Base interactions energy: -957.614 where: short stacking energy: -442.020 Base-Backbone interact. energy: -1.748 local terms energy: -531.505091 where: bonds (distance) C4'-P energy: -130.330 bonds (distance) P-C4' energy: -128.386 flat angles C4'-P-C4' energy: -107.996 flat angles P-C4'-P energy: -68.168 tors. eta vs tors. theta energy: -96.625 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: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1314.114234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.114234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.114234 (E_RNA) where: Base-Base interactions energy: -845.407 where: short stacking energy: -395.512 Base-Backbone interact. energy: 0.881 local terms energy: -469.588264 where: bonds (distance) C4'-P energy: -116.850 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -55.521 tors. eta vs tors. theta energy: -87.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1007.554183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.554183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.554183 (E_RNA) where: Base-Base interactions energy: -575.350 where: short stacking energy: -255.679 Base-Backbone interact. energy: -2.521 local terms energy: -429.683049 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -106.926 flat angles P-C4'-P energy: -50.190 tors. eta vs tors. theta energy: -29.441 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: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -741.483076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.483076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.483076 (E_RNA) where: Base-Base interactions energy: -380.706 where: short stacking energy: -221.377 Base-Backbone interact. energy: 0.456 local terms energy: -361.232680 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -102.202 flat angles C4'-P-C4' energy: -100.326 flat angles P-C4'-P energy: -40.993 tors. eta vs tors. theta energy: -12.342 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: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -513.883668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.883668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.883668 (E_RNA) where: Base-Base interactions energy: -201.084 where: short stacking energy: -140.360 Base-Backbone interact. energy: -0.919 local terms energy: -311.880609 where: bonds (distance) C4'-P energy: -109.271 bonds (distance) P-C4' energy: -102.177 flat angles C4'-P-C4' energy: -65.445 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: 20.358 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: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2282.823579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.823579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.823579 (E_RNA) where: Base-Base interactions energy: -1592.926 where: short stacking energy: -639.449 Base-Backbone interact. energy: -2.919 local terms energy: -686.977821 where: bonds (distance) C4'-P energy: -132.471 bonds (distance) P-C4' energy: -140.570 flat angles C4'-P-C4' energy: -145.157 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -185.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2146.093117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.093117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.093117 (E_RNA) where: Base-Base interactions energy: -1471.724 where: short stacking energy: -645.809 Base-Backbone interact. energy: -3.681 local terms energy: -670.687855 where: bonds (distance) C4'-P energy: -124.568 bonds (distance) P-C4' energy: -122.531 flat angles C4'-P-C4' energy: -146.852 flat angles P-C4'-P energy: -86.452 tors. eta vs tors. theta energy: -190.285 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: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1944.656414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.656414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.656414 (E_RNA) where: Base-Base interactions energy: -1307.713 where: short stacking energy: -614.188 Base-Backbone interact. energy: -0.973 local terms energy: -635.971044 where: bonds (distance) C4'-P energy: -118.477 bonds (distance) P-C4' energy: -119.313 flat angles C4'-P-C4' energy: -138.516 flat angles P-C4'-P energy: -95.166 tors. eta vs tors. theta energy: -164.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1800.126058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.126058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.126058 (E_RNA) where: Base-Base interactions energy: -1160.551 where: short stacking energy: -518.188 Base-Backbone interact. energy: -2.084 local terms energy: -637.491183 where: bonds (distance) C4'-P energy: -132.172 bonds (distance) P-C4' energy: -135.973 flat angles C4'-P-C4' energy: -127.759 flat angles P-C4'-P energy: -97.631 tors. eta vs tors. theta energy: -143.957 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: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1786.613581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.613581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.613581 (E_RNA) where: Base-Base interactions energy: -1186.372 where: short stacking energy: -552.551 Base-Backbone interact. energy: 0.362 local terms energy: -600.603726 where: bonds (distance) C4'-P energy: -111.357 bonds (distance) P-C4' energy: -132.647 flat angles C4'-P-C4' energy: -132.557 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -152.219 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: 6, replica: 4 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1482.972996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.972996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.972996 (E_RNA) where: Base-Base interactions energy: -996.897 where: short stacking energy: -439.163 Base-Backbone interact. energy: 1.093 local terms energy: -487.169436 where: bonds (distance) C4'-P energy: -105.407 bonds (distance) P-C4' energy: -108.922 flat angles C4'-P-C4' energy: -115.860 flat angles P-C4'-P energy: -59.130 tors. eta vs tors. theta energy: -97.851 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: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1270.584762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.584762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.584762 (E_RNA) where: Base-Base interactions energy: -787.903 where: short stacking energy: -351.572 Base-Backbone interact. energy: 3.204 local terms energy: -485.885258 where: bonds (distance) C4'-P energy: -118.812 bonds (distance) P-C4' energy: -115.489 flat angles C4'-P-C4' energy: -120.271 flat angles P-C4'-P energy: -69.229 tors. eta vs tors. theta energy: -62.084 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: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1064.756321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.756321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.756321 (E_RNA) where: Base-Base interactions energy: -605.957 where: short stacking energy: -338.705 Base-Backbone interact. energy: 1.455 local terms energy: -460.254426 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -124.123 flat angles C4'-P-C4' energy: -104.839 flat angles P-C4'-P energy: -58.427 tors. eta vs tors. theta energy: -65.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -708.416873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.416873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.416873 (E_RNA) where: Base-Base interactions energy: -345.127 where: short stacking energy: -223.720 Base-Backbone interact. energy: 4.729 local terms energy: -368.018680 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -119.684 flat angles C4'-P-C4' energy: -99.983 flat angles P-C4'-P energy: -55.394 tors. eta vs tors. theta energy: -8.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -544.895508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.895508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.895508 (E_RNA) where: Base-Base interactions energy: -210.318 where: short stacking energy: -148.960 Base-Backbone interact. energy: 2.413 local terms energy: -336.989965 where: bonds (distance) C4'-P energy: -98.305 bonds (distance) P-C4' energy: -95.034 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -68.026 tors. eta vs tors. theta energy: 12.733 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: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2260.707473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.707473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.707473 (E_RNA) where: Base-Base interactions energy: -1561.459 where: short stacking energy: -646.931 Base-Backbone interact. energy: -7.221 local terms energy: -692.027899 where: bonds (distance) C4'-P energy: -131.238 bonds (distance) P-C4' energy: -138.320 flat angles C4'-P-C4' energy: -149.043 flat angles P-C4'-P energy: -97.673 tors. eta vs tors. theta energy: -175.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2140.515384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.515384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.515384 (E_RNA) where: Base-Base interactions energy: -1450.679 where: short stacking energy: -615.809 Base-Backbone interact. energy: -3.710 local terms energy: -686.126612 where: bonds (distance) C4'-P energy: -124.113 bonds (distance) P-C4' energy: -127.361 flat angles C4'-P-C4' energy: -146.311 flat angles P-C4'-P energy: -100.464 tors. eta vs tors. theta energy: -187.878 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: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1972.082986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.082986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.082986 (E_RNA) where: Base-Base interactions energy: -1291.340 where: short stacking energy: -584.565 Base-Backbone interact. energy: -1.973 local terms energy: -678.770253 where: bonds (distance) C4'-P energy: -126.262 bonds (distance) P-C4' energy: -133.348 flat angles C4'-P-C4' energy: -140.479 flat angles P-C4'-P energy: -107.206 tors. eta vs tors. theta energy: -171.476 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: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1862.014670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.014670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.014670 (E_RNA) where: Base-Base interactions energy: -1218.987 where: short stacking energy: -590.841 Base-Backbone interact. energy: -2.111 local terms energy: -640.916804 where: bonds (distance) C4'-P energy: -126.861 bonds (distance) P-C4' energy: -123.533 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -80.039 tors. eta vs tors. theta energy: -174.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1861.093339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.093339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.093339 (E_RNA) where: Base-Base interactions energy: -1250.174 where: short stacking energy: -520.793 Base-Backbone interact. energy: -3.689 local terms energy: -607.230691 where: bonds (distance) C4'-P energy: -122.118 bonds (distance) P-C4' energy: -127.917 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -132.802 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: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1448.021982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.021982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.021982 (E_RNA) where: Base-Base interactions energy: -953.236 where: short stacking energy: -415.120 Base-Backbone interact. energy: 0.796 local terms energy: -495.582327 where: bonds (distance) C4'-P energy: -101.314 bonds (distance) P-C4' energy: -121.829 flat angles C4'-P-C4' energy: -122.657 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -81.649 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: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1258.337870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.337870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.337870 (E_RNA) where: Base-Base interactions energy: -771.006 where: short stacking energy: -358.550 Base-Backbone interact. energy: -0.081 local terms energy: -487.251409 where: bonds (distance) C4'-P energy: -114.340 bonds (distance) P-C4' energy: -108.477 flat angles C4'-P-C4' energy: -111.591 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -60.648 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: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -990.942982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.942982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.942982 (E_RNA) where: Base-Base interactions energy: -567.072 where: short stacking energy: -282.594 Base-Backbone interact. energy: 2.790 local terms energy: -426.660901 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -113.320 flat angles C4'-P-C4' energy: -130.349 flat angles P-C4'-P energy: -73.907 tors. eta vs tors. theta energy: -39.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -662.467260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.467260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.467260 (E_RNA) where: Base-Base interactions energy: -301.975 where: short stacking energy: -192.187 Base-Backbone interact. energy: -2.687 local terms energy: -357.805243 where: bonds (distance) C4'-P energy: -115.729 bonds (distance) P-C4' energy: -111.044 flat angles C4'-P-C4' energy: -91.871 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: 7.687 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: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -528.396770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.396770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.396770 (E_RNA) where: Base-Base interactions energy: -177.987 where: short stacking energy: -155.557 Base-Backbone interact. energy: -2.856 local terms energy: -347.554051 where: bonds (distance) C4'-P energy: -121.693 bonds (distance) P-C4' energy: -97.605 flat angles C4'-P-C4' energy: -100.555 flat angles P-C4'-P energy: -39.698 tors. eta vs tors. theta energy: 11.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2240.106840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.106840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.106840 (E_RNA) where: Base-Base interactions energy: -1535.902 where: short stacking energy: -623.638 Base-Backbone interact. energy: 1.055 local terms energy: -705.259591 where: bonds (distance) C4'-P energy: -140.582 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -151.294 flat angles P-C4'-P energy: -92.620 tors. eta vs tors. theta energy: -177.523 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: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2125.141794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.141794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.141794 (E_RNA) where: Base-Base interactions energy: -1450.740 where: short stacking energy: -616.941 Base-Backbone interact. energy: -3.788 local terms energy: -670.613964 where: bonds (distance) C4'-P energy: -132.862 bonds (distance) P-C4' energy: -117.664 flat angles C4'-P-C4' energy: -142.070 flat angles P-C4'-P energy: -97.631 tors. eta vs tors. theta energy: -180.387 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: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1981.542321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.542321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.542321 (E_RNA) where: Base-Base interactions energy: -1294.591 where: short stacking energy: -581.102 Base-Backbone interact. energy: -2.997 local terms energy: -683.954397 where: bonds (distance) C4'-P energy: -135.478 bonds (distance) P-C4' energy: -131.720 flat angles C4'-P-C4' energy: -140.347 flat angles P-C4'-P energy: -100.104 tors. eta vs tors. theta energy: -176.305 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: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1841.225030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.225030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.225030 (E_RNA) where: Base-Base interactions energy: -1211.839 where: short stacking energy: -584.419 Base-Backbone interact. energy: -2.756 local terms energy: -626.630030 where: bonds (distance) C4'-P energy: -125.920 bonds (distance) P-C4' energy: -131.730 flat angles C4'-P-C4' energy: -134.513 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -151.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1803.869251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.869251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.869251 (E_RNA) where: Base-Base interactions energy: -1230.606 where: short stacking energy: -550.773 Base-Backbone interact. energy: 0.344 local terms energy: -573.606760 where: bonds (distance) C4'-P energy: -92.657 bonds (distance) P-C4' energy: -126.305 flat angles C4'-P-C4' energy: -139.580 flat angles P-C4'-P energy: -79.762 tors. eta vs tors. theta energy: -135.303 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: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1449.897506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.897506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.897506 (E_RNA) where: Base-Base interactions energy: -950.350 where: short stacking energy: -421.453 Base-Backbone interact. energy: -3.146 local terms energy: -496.401655 where: bonds (distance) C4'-P energy: -117.297 bonds (distance) P-C4' energy: -115.052 flat angles C4'-P-C4' energy: -114.870 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -85.260 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: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1261.343764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.343764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.343764 (E_RNA) where: Base-Base interactions energy: -762.543 where: short stacking energy: -371.153 Base-Backbone interact. energy: -2.554 local terms energy: -496.247179 where: bonds (distance) C4'-P energy: -105.989 bonds (distance) P-C4' energy: -112.918 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -73.875 tors. eta vs tors. theta energy: -82.165 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: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -989.280396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.280396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.280396 (E_RNA) where: Base-Base interactions energy: -548.408 where: short stacking energy: -278.587 Base-Backbone interact. energy: 0.339 local terms energy: -441.211940 where: bonds (distance) C4'-P energy: -102.424 bonds (distance) P-C4' energy: -128.757 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -36.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -748.357068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.357068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.357068 (E_RNA) where: Base-Base interactions energy: -349.008 where: short stacking energy: -212.518 Base-Backbone interact. energy: -2.887 local terms energy: -396.462713 where: bonds (distance) C4'-P energy: -112.617 bonds (distance) P-C4' energy: -131.107 flat angles C4'-P-C4' energy: -94.700 flat angles P-C4'-P energy: -47.217 tors. eta vs tors. theta energy: -10.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -584.434178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.434178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.434178 (E_RNA) where: Base-Base interactions energy: -233.259 where: short stacking energy: -140.649 Base-Backbone interact. energy: 4.094 local terms energy: -355.269363 where: bonds (distance) C4'-P energy: -90.190 bonds (distance) P-C4' energy: -125.394 flat angles C4'-P-C4' energy: -96.562 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: 14.320 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: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2299.367829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.367829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.367829 (E_RNA) where: Base-Base interactions energy: -1579.469 where: short stacking energy: -655.132 Base-Backbone interact. energy: -2.727 local terms energy: -717.172032 where: bonds (distance) C4'-P energy: -133.443 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -146.643 flat angles P-C4'-P energy: -110.231 tors. eta vs tors. theta energy: -185.970 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: 2, replica: 10 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2145.235065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.235065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.235065 (E_RNA) where: Base-Base interactions energy: -1454.784 where: short stacking energy: -625.530 Base-Backbone interact. energy: -2.765 local terms energy: -687.685325 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -133.599 flat angles C4'-P-C4' energy: -153.450 flat angles P-C4'-P energy: -96.240 tors. eta vs tors. theta energy: -177.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1963.838486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.838486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.838486 (E_RNA) where: Base-Base interactions energy: -1295.527 where: short stacking energy: -600.112 Base-Backbone interact. energy: 0.152 local terms energy: -668.463006 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -128.494 flat angles C4'-P-C4' energy: -146.549 flat angles P-C4'-P energy: -90.561 tors. eta vs tors. theta energy: -177.234 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: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1825.142755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.142755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.142755 (E_RNA) where: Base-Base interactions energy: -1197.778 where: short stacking energy: -553.513 Base-Backbone interact. energy: -2.980 local terms energy: -624.385334 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -126.096 flat angles C4'-P-C4' energy: -126.822 flat angles P-C4'-P energy: -101.409 tors. eta vs tors. theta energy: -140.820 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: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1797.850199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.850199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.850199 (E_RNA) where: Base-Base interactions energy: -1185.345 where: short stacking energy: -522.622 Base-Backbone interact. energy: -0.507 local terms energy: -611.998026 where: bonds (distance) C4'-P energy: -122.717 bonds (distance) P-C4' energy: -123.599 flat angles C4'-P-C4' energy: -134.395 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -143.029 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: 4 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1502.357482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.357482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.357482 (E_RNA) where: Base-Base interactions energy: -1000.958 where: short stacking energy: -430.002 Base-Backbone interact. energy: -2.659 local terms energy: -498.741000 where: bonds (distance) C4'-P energy: -106.666 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -96.407 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: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1304.433915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.433915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.433915 (E_RNA) where: Base-Base interactions energy: -785.551 where: short stacking energy: -383.572 Base-Backbone interact. energy: -2.001 local terms energy: -516.881536 where: bonds (distance) C4'-P energy: -100.427 bonds (distance) P-C4' energy: -118.431 flat angles C4'-P-C4' energy: -139.236 flat angles P-C4'-P energy: -84.525 tors. eta vs tors. theta energy: -74.262 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: 80 Temperature: 1.250000 Total energy: -998.069306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.069306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.069306 (E_RNA) where: Base-Base interactions energy: -563.270 where: short stacking energy: -291.963 Base-Backbone interact. energy: -0.396 local terms energy: -434.403635 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -122.998 flat angles C4'-P-C4' energy: -103.392 flat angles P-C4'-P energy: -52.870 tors. eta vs tors. theta energy: -44.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -753.170523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.170523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.170523 (E_RNA) where: Base-Base interactions energy: -365.844 where: short stacking energy: -217.111 Base-Backbone interact. energy: -2.218 local terms energy: -385.108994 where: bonds (distance) C4'-P energy: -107.196 bonds (distance) P-C4' energy: -118.744 flat angles C4'-P-C4' energy: -90.134 flat angles P-C4'-P energy: -56.998 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -615.505161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.505161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.505161 (E_RNA) where: Base-Base interactions energy: -280.790 where: short stacking energy: -144.854 Base-Backbone interact. energy: -4.014 local terms energy: -330.701752 where: bonds (distance) C4'-P energy: -86.974 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -91.011 flat angles P-C4'-P energy: -45.245 tors. eta vs tors. theta energy: 12.251 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: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2249.823095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.823095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.823095 (E_RNA) where: Base-Base interactions energy: -1574.617 where: short stacking energy: -638.219 Base-Backbone interact. energy: 5.785 local terms energy: -680.991087 where: bonds (distance) C4'-P energy: -124.012 bonds (distance) P-C4' energy: -140.592 flat angles C4'-P-C4' energy: -139.433 flat angles P-C4'-P energy: -101.434 tors. eta vs tors. theta energy: -175.519 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: 81 Temperature: 0.950000 Total energy: -2137.287217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.287217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.287217 (E_RNA) where: Base-Base interactions energy: -1415.099 where: short stacking energy: -599.675 Base-Backbone interact. energy: -4.864 local terms energy: -717.324025 where: bonds (distance) C4'-P energy: -146.508 bonds (distance) P-C4' energy: -142.567 flat angles C4'-P-C4' energy: -147.945 flat angles P-C4'-P energy: -96.328 tors. eta vs tors. theta energy: -183.976 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: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1983.258919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.258919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.258919 (E_RNA) where: Base-Base interactions energy: -1335.224 where: short stacking energy: -599.599 Base-Backbone interact. energy: -3.283 local terms energy: -644.752036 where: bonds (distance) C4'-P energy: -126.196 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -84.745 tors. eta vs tors. theta energy: -163.212 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: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1860.599769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.599769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.599769 (E_RNA) where: Base-Base interactions energy: -1206.347 where: short stacking energy: -575.798 Base-Backbone interact. energy: -2.849 local terms energy: -651.403406 where: bonds (distance) C4'-P energy: -128.141 bonds (distance) P-C4' energy: -126.925 flat angles C4'-P-C4' energy: -136.244 flat angles P-C4'-P energy: -94.126 tors. eta vs tors. theta energy: -165.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1769.506990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.506990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.506990 (E_RNA) where: Base-Base interactions energy: -1214.623 where: short stacking energy: -532.112 Base-Backbone interact. energy: 2.257 local terms energy: -557.140571 where: bonds (distance) C4'-P energy: -100.971 bonds (distance) P-C4' energy: -114.262 flat angles C4'-P-C4' energy: -133.589 flat angles P-C4'-P energy: -85.738 tors. eta vs tors. theta energy: -122.581 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: 6, replica: 4 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1564.123993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.123993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.123993 (E_RNA) where: Base-Base interactions energy: -1027.096 where: short stacking energy: -465.090 Base-Backbone interact. energy: 12.647 local terms energy: -549.674380 where: bonds (distance) C4'-P energy: -109.109 bonds (distance) P-C4' energy: -125.168 flat angles C4'-P-C4' energy: -118.711 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -120.141 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: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1320.621332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.621332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.621332 (E_RNA) where: Base-Base interactions energy: -830.418 where: short stacking energy: -377.819 Base-Backbone interact. energy: -1.378 local terms energy: -488.825008 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -108.991 flat angles C4'-P-C4' energy: -119.114 flat angles P-C4'-P energy: -68.981 tors. eta vs tors. theta energy: -69.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1077.588342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.588342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.588342 (E_RNA) where: Base-Base interactions energy: -633.353 where: short stacking energy: -313.052 Base-Backbone interact. energy: 1.780 local terms energy: -446.015602 where: bonds (distance) C4'-P energy: -94.466 bonds (distance) P-C4' energy: -122.837 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -61.500 tors. eta vs tors. theta energy: -51.527 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: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -724.104657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.104657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.104657 (E_RNA) where: Base-Base interactions energy: -326.541 where: short stacking energy: -204.750 Base-Backbone interact. energy: -3.160 local terms energy: -394.403696 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -115.351 flat angles C4'-P-C4' energy: -105.979 flat angles P-C4'-P energy: -54.293 tors. eta vs tors. theta energy: 5.533 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: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -639.442359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.442359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.442359 (E_RNA) where: Base-Base interactions energy: -276.619 where: short stacking energy: -161.917 Base-Backbone interact. energy: 2.346 local terms energy: -365.169767 where: bonds (distance) C4'-P energy: -100.522 bonds (distance) P-C4' energy: -97.951 flat angles C4'-P-C4' energy: -101.520 flat angles P-C4'-P energy: -71.151 tors. eta vs tors. theta energy: 5.975 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: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2251.912618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.912618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.912618 (E_RNA) where: Base-Base interactions energy: -1558.155 where: short stacking energy: -631.973 Base-Backbone interact. energy: -4.289 local terms energy: -689.468940 where: bonds (distance) C4'-P energy: -132.594 bonds (distance) P-C4' energy: -135.669 flat angles C4'-P-C4' energy: -152.674 flat angles P-C4'-P energy: -99.427 tors. eta vs tors. theta energy: -169.104 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: 10 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2112.077492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.077492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.077492 (E_RNA) where: Base-Base interactions energy: -1441.425 where: short stacking energy: -595.316 Base-Backbone interact. energy: -0.291 local terms energy: -670.361292 where: bonds (distance) C4'-P energy: -136.801 bonds (distance) P-C4' energy: -133.727 flat angles C4'-P-C4' energy: -131.175 flat angles P-C4'-P energy: -85.098 tors. eta vs tors. theta energy: -183.560 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: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1973.160736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.160736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.160736 (E_RNA) where: Base-Base interactions energy: -1310.751 where: short stacking energy: -602.681 Base-Backbone interact. energy: -1.883 local terms energy: -660.527261 where: bonds (distance) C4'-P energy: -118.039 bonds (distance) P-C4' energy: -140.093 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -95.958 tors. eta vs tors. theta energy: -164.264 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: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1890.086191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.086191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.086191 (E_RNA) where: Base-Base interactions energy: -1245.057 where: short stacking energy: -557.436 Base-Backbone interact. energy: -3.683 local terms energy: -641.345864 where: bonds (distance) C4'-P energy: -114.423 bonds (distance) P-C4' energy: -127.425 flat angles C4'-P-C4' energy: -134.919 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -172.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1740.976736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.976736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.976736 (E_RNA) where: Base-Base interactions energy: -1186.351 where: short stacking energy: -549.738 Base-Backbone interact. energy: -1.439 local terms energy: -553.186532 where: bonds (distance) C4'-P energy: -115.085 bonds (distance) P-C4' energy: -108.626 flat angles C4'-P-C4' energy: -125.838 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -140.948 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: 6, replica: 4 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1585.140325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.140325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.140325 (E_RNA) where: Base-Base interactions energy: -1027.691 where: short stacking energy: -469.611 Base-Backbone interact. energy: -3.419 local terms energy: -554.030378 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -116.744 flat angles C4'-P-C4' energy: -137.330 flat angles P-C4'-P energy: -67.768 tors. eta vs tors. theta energy: -108.140 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1215.861676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.861676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.861676 (E_RNA) where: Base-Base interactions energy: -767.343 where: short stacking energy: -349.027 Base-Backbone interact. energy: 2.051 local terms energy: -450.570068 where: bonds (distance) C4'-P energy: -111.805 bonds (distance) P-C4' energy: -111.770 flat angles C4'-P-C4' energy: -99.736 flat angles P-C4'-P energy: -60.046 tors. eta vs tors. theta energy: -67.212 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: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1048.943216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.943216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.943216 (E_RNA) where: Base-Base interactions energy: -642.796 where: short stacking energy: -294.887 Base-Backbone interact. energy: -4.896 local terms energy: -401.252029 where: bonds (distance) C4'-P energy: -108.327 bonds (distance) P-C4' energy: -86.427 flat angles C4'-P-C4' energy: -114.255 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: -33.707 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: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -713.786779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.786779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.786779 (E_RNA) where: Base-Base interactions energy: -315.701 where: short stacking energy: -203.720 Base-Backbone interact. energy: -1.561 local terms energy: -396.525082 where: bonds (distance) C4'-P energy: -98.304 bonds (distance) P-C4' energy: -131.808 flat angles C4'-P-C4' energy: -100.048 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -674.203261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.203261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.203261 (E_RNA) where: Base-Base interactions energy: -325.671 where: short stacking energy: -199.369 Base-Backbone interact. energy: 5.817 local terms energy: -354.348593 where: bonds (distance) C4'-P energy: -99.575 bonds (distance) P-C4' energy: -94.648 flat angles C4'-P-C4' energy: -108.427 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -0.247 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: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2267.338624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.338624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.338624 (E_RNA) where: Base-Base interactions energy: -1574.122 where: short stacking energy: -642.178 Base-Backbone interact. energy: -2.118 local terms energy: -691.098127 where: bonds (distance) C4'-P energy: -130.431 bonds (distance) P-C4' energy: -138.737 flat angles C4'-P-C4' energy: -144.404 flat angles P-C4'-P energy: -104.576 tors. eta vs tors. theta energy: -172.950 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: 83 Temperature: 0.950000 Total energy: -2109.461667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.461667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.461667 (E_RNA) where: Base-Base interactions energy: -1452.406 where: short stacking energy: -609.091 Base-Backbone interact. energy: -2.815 local terms energy: -654.240621 where: bonds (distance) C4'-P energy: -109.407 bonds (distance) P-C4' energy: -126.054 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -89.717 tors. eta vs tors. theta energy: -182.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1951.776869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.776869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.776869 (E_RNA) where: Base-Base interactions energy: -1274.956 where: short stacking energy: -585.218 Base-Backbone interact. energy: 1.254 local terms energy: -678.075520 where: bonds (distance) C4'-P energy: -115.173 bonds (distance) P-C4' energy: -148.772 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -101.808 tors. eta vs tors. theta energy: -166.316 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: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1830.036959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.036959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.036959 (E_RNA) where: Base-Base interactions energy: -1203.972 where: short stacking energy: -580.409 Base-Backbone interact. energy: -1.091 local terms energy: -624.974007 where: bonds (distance) C4'-P energy: -114.151 bonds (distance) P-C4' energy: -125.875 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -85.671 tors. eta vs tors. theta energy: -161.666 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1788.296479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.296479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.296479 (E_RNA) where: Base-Base interactions energy: -1185.457 where: short stacking energy: -505.569 Base-Backbone interact. energy: -1.357 local terms energy: -601.482503 where: bonds (distance) C4'-P energy: -121.300 bonds (distance) P-C4' energy: -126.806 flat angles C4'-P-C4' energy: -134.154 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -132.447 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: 6, replica: 4 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1615.665288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.665288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.665288 (E_RNA) where: Base-Base interactions energy: -1041.348 where: short stacking energy: -451.279 Base-Backbone interact. energy: 1.828 local terms energy: -576.144892 where: bonds (distance) C4'-P energy: -125.505 bonds (distance) P-C4' energy: -134.203 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -88.953 tors. eta vs tors. theta energy: -107.944 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: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1325.839614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.839614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.839614 (E_RNA) where: Base-Base interactions energy: -817.206 where: short stacking energy: -398.957 Base-Backbone interact. energy: -0.141 local terms energy: -508.492145 where: bonds (distance) C4'-P energy: -111.142 bonds (distance) P-C4' energy: -135.777 flat angles C4'-P-C4' energy: -115.580 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -77.976 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: 83 Temperature: 1.250000 Total energy: -1021.967938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.967938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.967938 (E_RNA) where: Base-Base interactions energy: -608.242 where: short stacking energy: -281.844 Base-Backbone interact. energy: 0.092 local terms energy: -413.818123 where: bonds (distance) C4'-P energy: -120.591 bonds (distance) P-C4' energy: -104.102 flat angles C4'-P-C4' energy: -107.173 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -33.624 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -714.086577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.086577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.086577 (E_RNA) where: Base-Base interactions energy: -328.262 where: short stacking energy: -209.047 Base-Backbone interact. energy: 2.781 local terms energy: -388.605948 where: bonds (distance) C4'-P energy: -111.202 bonds (distance) P-C4' energy: -113.907 flat angles C4'-P-C4' energy: -102.947 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -580.162166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.162166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.162166 (E_RNA) where: Base-Base interactions energy: -234.113 where: short stacking energy: -148.238 Base-Backbone interact. energy: -1.858 local terms energy: -344.190544 where: bonds (distance) C4'-P energy: -110.704 bonds (distance) P-C4' energy: -119.989 flat angles C4'-P-C4' energy: -94.838 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: 26.033 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: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2293.582555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.582555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.582555 (E_RNA) where: Base-Base interactions energy: -1610.627 where: short stacking energy: -636.110 Base-Backbone interact. energy: -3.254 local terms energy: -679.701297 where: bonds (distance) C4'-P energy: -139.463 bonds (distance) P-C4' energy: -138.037 flat angles C4'-P-C4' energy: -142.356 flat angles P-C4'-P energy: -89.584 tors. eta vs tors. theta energy: -170.262 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: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2128.882258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.882258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.882258 (E_RNA) where: Base-Base interactions energy: -1456.452 where: short stacking energy: -623.137 Base-Backbone interact. energy: 4.476 local terms energy: -676.906216 where: bonds (distance) C4'-P energy: -130.415 bonds (distance) P-C4' energy: -126.856 flat angles C4'-P-C4' energy: -130.361 flat angles P-C4'-P energy: -95.481 tors. eta vs tors. theta energy: -193.793 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: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1975.143167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.143167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.143167 (E_RNA) where: Base-Base interactions energy: -1316.311 where: short stacking energy: -603.605 Base-Backbone interact. energy: -2.955 local terms energy: -655.876903 where: bonds (distance) C4'-P energy: -115.682 bonds (distance) P-C4' energy: -136.766 flat angles C4'-P-C4' energy: -144.699 flat angles P-C4'-P energy: -74.850 tors. eta vs tors. theta energy: -183.879 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: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1805.877683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.877683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.877683 (E_RNA) where: Base-Base interactions energy: -1174.557 where: short stacking energy: -562.876 Base-Backbone interact. energy: -0.758 local terms energy: -630.561955 where: bonds (distance) C4'-P energy: -119.031 bonds (distance) P-C4' energy: -142.316 flat angles C4'-P-C4' energy: -138.662 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -150.661 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: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1759.681271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.681271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.681271 (E_RNA) where: Base-Base interactions energy: -1176.213 where: short stacking energy: -516.364 Base-Backbone interact. energy: -1.415 local terms energy: -582.053691 where: bonds (distance) C4'-P energy: -112.564 bonds (distance) P-C4' energy: -128.777 flat angles C4'-P-C4' energy: -122.501 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -150.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1622.065316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.065316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.065316 (E_RNA) where: Base-Base interactions energy: -1067.142 where: short stacking energy: -483.463 Base-Backbone interact. energy: 1.319 local terms energy: -556.242145 where: bonds (distance) C4'-P energy: -118.909 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -130.349 flat angles P-C4'-P energy: -67.867 tors. eta vs tors. theta energy: -117.430 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: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1336.072739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.072739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.072739 (E_RNA) where: Base-Base interactions energy: -869.885 where: short stacking energy: -413.173 Base-Backbone interact. energy: -2.592 local terms energy: -463.595588 where: bonds (distance) C4'-P energy: -102.315 bonds (distance) P-C4' energy: -102.246 flat angles C4'-P-C4' energy: -118.595 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -72.148 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: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1035.213239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.213239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.213239 (E_RNA) where: Base-Base interactions energy: -593.567 where: short stacking energy: -290.366 Base-Backbone interact. energy: -1.726 local terms energy: -439.920877 where: bonds (distance) C4'-P energy: -119.531 bonds (distance) P-C4' energy: -118.605 flat angles C4'-P-C4' energy: -107.371 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: -43.550 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: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -803.145003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.145003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.145003 (E_RNA) where: Base-Base interactions energy: -430.777 where: short stacking energy: -240.548 Base-Backbone interact. energy: 1.274 local terms energy: -373.642657 where: bonds (distance) C4'-P energy: -88.016 bonds (distance) P-C4' energy: -119.014 flat angles C4'-P-C4' energy: -89.793 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -16.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -603.597207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.597207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.597207 (E_RNA) where: Base-Base interactions energy: -251.111 where: short stacking energy: -177.463 Base-Backbone interact. energy: 1.081 local terms energy: -353.567367 where: bonds (distance) C4'-P energy: -110.852 bonds (distance) P-C4' energy: -111.215 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: 12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2268.889929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.889929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.889929 (E_RNA) where: Base-Base interactions energy: -1591.797 where: short stacking energy: -632.781 Base-Backbone interact. energy: -2.239 local terms energy: -674.853177 where: bonds (distance) C4'-P energy: -124.548 bonds (distance) P-C4' energy: -126.997 flat angles C4'-P-C4' energy: -143.196 flat angles P-C4'-P energy: -104.963 tors. eta vs tors. theta energy: -175.150 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: 2, replica: 10 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2138.304234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.304234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.304234 (E_RNA) where: Base-Base interactions energy: -1446.932 where: short stacking energy: -624.132 Base-Backbone interact. energy: -0.459 local terms energy: -690.913647 where: bonds (distance) C4'-P energy: -123.269 bonds (distance) P-C4' energy: -149.482 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -83.951 tors. eta vs tors. theta energy: -198.002 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: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2001.008303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.008303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.008303 (E_RNA) where: Base-Base interactions energy: -1335.656 where: short stacking energy: -591.207 Base-Backbone interact. energy: -2.822 local terms energy: -662.530168 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -140.735 flat angles C4'-P-C4' energy: -143.459 flat angles P-C4'-P energy: -99.365 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: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1832.579147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.579147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.579147 (E_RNA) where: Base-Base interactions energy: -1201.972 where: short stacking energy: -549.689 Base-Backbone interact. energy: -2.204 local terms energy: -628.403204 where: bonds (distance) C4'-P energy: -126.069 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -133.499 flat angles P-C4'-P energy: -91.511 tors. eta vs tors. theta energy: -152.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1759.339510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.339510 (E_RNA) where: Base-Base interactions energy: -1183.812 where: short stacking energy: -501.004 Base-Backbone interact. energy: -4.460 local terms energy: -571.067578 where: bonds (distance) C4'-P energy: -104.513 bonds (distance) P-C4' energy: -119.421 flat angles C4'-P-C4' energy: -137.535 flat angles P-C4'-P energy: -76.385 tors. eta vs tors. theta energy: -133.214 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: 6, replica: 4 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1545.145894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.145894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.145894 (E_RNA) where: Base-Base interactions energy: -991.285 where: short stacking energy: -407.824 Base-Backbone interact. energy: -3.162 local terms energy: -550.699134 where: bonds (distance) C4'-P energy: -103.426 bonds (distance) P-C4' energy: -127.883 flat angles C4'-P-C4' energy: -125.957 flat angles P-C4'-P energy: -87.510 tors. eta vs tors. theta energy: -105.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1355.367832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.367832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.367832 (E_RNA) where: Base-Base interactions energy: -816.912 where: short stacking energy: -372.294 Base-Backbone interact. energy: -2.429 local terms energy: -536.026973 where: bonds (distance) C4'-P energy: -122.840 bonds (distance) P-C4' energy: -129.627 flat angles C4'-P-C4' energy: -116.651 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -92.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1079.850242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.850242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.850242 (E_RNA) where: Base-Base interactions energy: -655.382 where: short stacking energy: -324.297 Base-Backbone interact. energy: 1.187 local terms energy: -425.655756 where: bonds (distance) C4'-P energy: -117.330 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -98.487 flat angles P-C4'-P energy: -58.792 tors. eta vs tors. theta energy: -48.885 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: 9, replica: 6 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -860.832865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.832865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.832865 (E_RNA) where: Base-Base interactions energy: -482.161 where: short stacking energy: -238.340 Base-Backbone interact. energy: -3.473 local terms energy: -375.198929 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -122.476 flat angles C4'-P-C4' energy: -98.706 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: 0.365 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: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -613.070808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.070808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.070808 (E_RNA) where: Base-Base interactions energy: -244.132 where: short stacking energy: -151.813 Base-Backbone interact. energy: -2.988 local terms energy: -365.951094 where: bonds (distance) C4'-P energy: -112.444 bonds (distance) P-C4' energy: -104.637 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -60.720 tors. eta vs tors. theta energy: 4.846 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: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2261.981994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.981994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.981994 (E_RNA) where: Base-Base interactions energy: -1570.091 where: short stacking energy: -641.036 Base-Backbone interact. energy: -3.461 local terms energy: -688.430113 where: bonds (distance) C4'-P energy: -132.696 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -153.209 flat angles P-C4'-P energy: -100.118 tors. eta vs tors. theta energy: -174.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2182.502647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.502647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.502647 (E_RNA) where: Base-Base interactions energy: -1483.999 where: short stacking energy: -623.901 Base-Backbone interact. energy: 0.491 local terms energy: -698.994347 where: bonds (distance) C4'-P energy: -129.099 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -145.336 flat angles P-C4'-P energy: -98.532 tors. eta vs tors. theta energy: -191.002 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: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1980.098128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.098128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.098128 (E_RNA) where: Base-Base interactions energy: -1308.262 where: short stacking energy: -589.977 Base-Backbone interact. energy: -3.669 local terms energy: -668.167229 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -124.310 flat angles C4'-P-C4' energy: -141.710 flat angles P-C4'-P energy: -98.501 tors. eta vs tors. theta energy: -172.396 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: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1861.901386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.901386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.901386 (E_RNA) where: Base-Base interactions energy: -1222.771 where: short stacking energy: -560.701 Base-Backbone interact. energy: 3.083 local terms energy: -642.213565 where: bonds (distance) C4'-P energy: -117.687 bonds (distance) P-C4' energy: -127.718 flat angles C4'-P-C4' energy: -141.542 flat angles P-C4'-P energy: -95.928 tors. eta vs tors. theta energy: -159.338 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: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1750.784120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.784120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.784120 (E_RNA) where: Base-Base interactions energy: -1180.140 where: short stacking energy: -489.197 Base-Backbone interact. energy: -1.246 local terms energy: -569.397936 where: bonds (distance) C4'-P energy: -115.757 bonds (distance) P-C4' energy: -122.315 flat angles C4'-P-C4' energy: -123.855 flat angles P-C4'-P energy: -82.349 tors. eta vs tors. theta energy: -125.122 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: 4 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1557.297284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.297284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.297284 (E_RNA) where: Base-Base interactions energy: -1002.747 where: short stacking energy: -430.302 Base-Backbone interact. energy: -2.086 local terms energy: -552.463750 where: bonds (distance) C4'-P energy: -123.867 bonds (distance) P-C4' energy: -121.528 flat angles C4'-P-C4' energy: -115.472 flat angles P-C4'-P energy: -81.240 tors. eta vs tors. theta energy: -110.357 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: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1373.943361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.943361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.943361 (E_RNA) where: Base-Base interactions energy: -867.873 where: short stacking energy: -398.428 Base-Backbone interact. energy: 0.800 local terms energy: -506.870851 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -118.769 flat angles C4'-P-C4' energy: -110.682 flat angles P-C4'-P energy: -81.578 tors. eta vs tors. theta energy: -82.711 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: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1070.083838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.083838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.083838 (E_RNA) where: Base-Base interactions energy: -646.975 where: short stacking energy: -318.003 Base-Backbone interact. energy: -2.127 local terms energy: -420.982367 where: bonds (distance) C4'-P energy: -113.193 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -84.318 flat angles P-C4'-P energy: -62.305 tors. eta vs tors. theta energy: -47.639 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: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -834.242985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.242985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.242985 (E_RNA) where: Base-Base interactions energy: -425.293 where: short stacking energy: -218.505 Base-Backbone interact. energy: -5.487 local terms energy: -403.462815 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -116.948 flat angles C4'-P-C4' energy: -110.865 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -635.949115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.949115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.949115 (E_RNA) where: Base-Base interactions energy: -279.570 where: short stacking energy: -176.534 Base-Backbone interact. energy: 2.049 local terms energy: -358.427599 where: bonds (distance) C4'-P energy: -95.427 bonds (distance) P-C4' energy: -113.899 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -55.729 tors. eta vs tors. theta energy: 7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2225.078349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.078349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.078349 (E_RNA) where: Base-Base interactions energy: -1561.808 where: short stacking energy: -610.386 Base-Backbone interact. energy: -4.144 local terms energy: -659.126409 where: bonds (distance) C4'-P energy: -123.205 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -145.054 flat angles P-C4'-P energy: -94.639 tors. eta vs tors. theta energy: -169.850 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: 2, replica: 10 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2187.094390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.094390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.094390 (E_RNA) where: Base-Base interactions energy: -1510.187 where: short stacking energy: -642.250 Base-Backbone interact. energy: -1.722 local terms energy: -675.185035 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -118.830 flat angles C4'-P-C4' energy: -146.444 flat angles P-C4'-P energy: -87.540 tors. eta vs tors. theta energy: -195.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2006.939680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.939680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.939680 (E_RNA) where: Base-Base interactions energy: -1333.966 where: short stacking energy: -593.807 Base-Backbone interact. energy: -0.346 local terms energy: -672.628191 where: bonds (distance) C4'-P energy: -124.986 bonds (distance) P-C4' energy: -138.912 flat angles C4'-P-C4' energy: -136.126 flat angles P-C4'-P energy: -92.949 tors. eta vs tors. theta energy: -179.656 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: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1827.524022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.524022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.524022 (E_RNA) where: Base-Base interactions energy: -1197.771 where: short stacking energy: -564.289 Base-Backbone interact. energy: -1.375 local terms energy: -628.377802 where: bonds (distance) C4'-P energy: -114.503 bonds (distance) P-C4' energy: -116.834 flat angles C4'-P-C4' energy: -142.931 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: -165.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1782.081320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.081320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.081320 (E_RNA) where: Base-Base interactions energy: -1223.200 where: short stacking energy: -532.757 Base-Backbone interact. energy: 0.905 local terms energy: -559.785565 where: bonds (distance) C4'-P energy: -115.578 bonds (distance) P-C4' energy: -91.126 flat angles C4'-P-C4' energy: -131.555 flat angles P-C4'-P energy: -78.976 tors. eta vs tors. theta energy: -142.551 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: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1465.924555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.924555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.924555 (E_RNA) where: Base-Base interactions energy: -937.123 where: short stacking energy: -436.530 Base-Backbone interact. energy: -2.153 local terms energy: -526.648214 where: bonds (distance) C4'-P energy: -94.697 bonds (distance) P-C4' energy: -127.791 flat angles C4'-P-C4' energy: -132.677 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -88.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1565.124918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.124918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.124918 (E_RNA) where: Base-Base interactions energy: -1007.906 where: short stacking energy: -444.715 Base-Backbone interact. energy: 0.541 local terms energy: -557.759664 where: bonds (distance) C4'-P energy: -129.414 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -114.883 flat angles P-C4'-P energy: -78.050 tors. eta vs tors. theta energy: -111.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1074.256647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.256647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.256647 (E_RNA) where: Base-Base interactions energy: -632.793 where: short stacking energy: -295.038 Base-Backbone interact. energy: 1.131 local terms energy: -442.593858 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -117.545 flat angles C4'-P-C4' energy: -95.170 flat angles P-C4'-P energy: -70.858 tors. eta vs tors. theta energy: -54.765 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: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -791.149995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.149995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.149995 (E_RNA) where: Base-Base interactions energy: -409.040 where: short stacking energy: -224.525 Base-Backbone interact. energy: 1.172 local terms energy: -383.282651 where: bonds (distance) C4'-P energy: -98.775 bonds (distance) P-C4' energy: -93.090 flat angles C4'-P-C4' energy: -109.715 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -14.402 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: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -524.886396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.886396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.886396 (E_RNA) where: Base-Base interactions energy: -181.473 where: short stacking energy: -154.613 Base-Backbone interact. energy: 1.776 local terms energy: -345.189390 where: bonds (distance) C4'-P energy: -93.166 bonds (distance) P-C4' energy: -112.729 flat angles C4'-P-C4' energy: -103.650 flat angles P-C4'-P energy: -43.509 tors. eta vs tors. theta energy: 7.865 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: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2236.981354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.981354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.981354 (E_RNA) where: Base-Base interactions energy: -1551.124 where: short stacking energy: -620.065 Base-Backbone interact. energy: -0.475 local terms energy: -685.382521 where: bonds (distance) C4'-P energy: -129.506 bonds (distance) P-C4' energy: -125.485 flat angles C4'-P-C4' energy: -152.713 flat angles P-C4'-P energy: -101.755 tors. eta vs tors. theta energy: -175.923 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: 2, replica: 10 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2149.569123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.569123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.569123 (E_RNA) where: Base-Base interactions energy: -1451.739 where: short stacking energy: -602.525 Base-Backbone interact. energy: -0.323 local terms energy: -697.507352 where: bonds (distance) C4'-P energy: -126.974 bonds (distance) P-C4' energy: -134.686 flat angles C4'-P-C4' energy: -159.482 flat angles P-C4'-P energy: -96.517 tors. eta vs tors. theta energy: -179.850 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: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1999.969591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.969591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.969591 (E_RNA) where: Base-Base interactions energy: -1348.384 where: short stacking energy: -587.460 Base-Backbone interact. energy: -4.070 local terms energy: -647.515903 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -132.002 flat angles C4'-P-C4' energy: -149.444 flat angles P-C4'-P energy: -83.766 tors. eta vs tors. theta energy: -166.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1824.928445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.928445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.928445 (E_RNA) where: Base-Base interactions energy: -1195.646 where: short stacking energy: -571.607 Base-Backbone interact. energy: 3.641 local terms energy: -632.923837 where: bonds (distance) C4'-P energy: -115.765 bonds (distance) P-C4' energy: -139.702 flat angles C4'-P-C4' energy: -130.252 flat angles P-C4'-P energy: -87.407 tors. eta vs tors. theta energy: -159.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1801.863157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.863157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.863157 (E_RNA) where: Base-Base interactions energy: -1193.021 where: short stacking energy: -515.337 Base-Backbone interact. energy: 1.473 local terms energy: -610.315542 where: bonds (distance) C4'-P energy: -119.127 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -134.050 flat angles P-C4'-P energy: -98.153 tors. eta vs tors. theta energy: -134.373 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: 88 Temperature: 1.150000 Total energy: -1413.828943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.828943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.828943 (E_RNA) where: Base-Base interactions energy: -898.377 where: short stacking energy: -426.167 Base-Backbone interact. energy: -0.091 local terms energy: -515.361401 where: bonds (distance) C4'-P energy: -112.222 bonds (distance) P-C4' energy: -117.452 flat angles C4'-P-C4' energy: -131.027 flat angles P-C4'-P energy: -55.841 tors. eta vs tors. theta energy: -98.820 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: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1476.876196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.876196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.876196 (E_RNA) where: Base-Base interactions energy: -956.933 where: short stacking energy: -412.407 Base-Backbone interact. energy: -2.940 local terms energy: -517.002823 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -104.174 flat angles C4'-P-C4' energy: -124.882 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -94.298 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: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1151.749634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.749634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.749634 (E_RNA) where: Base-Base interactions energy: -693.531 where: short stacking energy: -344.674 Base-Backbone interact. energy: -3.443 local terms energy: -454.775294 where: bonds (distance) C4'-P energy: -108.397 bonds (distance) P-C4' energy: -113.504 flat angles C4'-P-C4' energy: -116.696 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -65.401 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: 9, replica: 6 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -852.142053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.142053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.142053 (E_RNA) where: Base-Base interactions energy: -458.570 where: short stacking energy: -242.497 Base-Backbone interact. energy: -1.464 local terms energy: -392.108145 where: bonds (distance) C4'-P energy: -98.187 bonds (distance) P-C4' energy: -111.953 flat angles C4'-P-C4' energy: -106.560 flat angles P-C4'-P energy: -52.622 tors. eta vs tors. theta energy: -22.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -533.145564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.145564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.145564 (E_RNA) where: Base-Base interactions energy: -187.289 where: short stacking energy: -147.431 Base-Backbone interact. energy: 2.319 local terms energy: -348.175227 where: bonds (distance) C4'-P energy: -111.151 bonds (distance) P-C4' energy: -126.414 flat angles C4'-P-C4' energy: -95.045 flat angles P-C4'-P energy: -49.977 tors. eta vs tors. theta energy: 34.412 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: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2234.787105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.787105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.787105 (E_RNA) where: Base-Base interactions energy: -1564.193 where: short stacking energy: -620.766 Base-Backbone interact. energy: -3.402 local terms energy: -667.192274 where: bonds (distance) C4'-P energy: -135.467 bonds (distance) P-C4' energy: -150.361 flat angles C4'-P-C4' energy: -130.293 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -166.860 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: 2, replica: 10 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2176.332050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.332050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.332050 (E_RNA) where: Base-Base interactions energy: -1477.636 where: short stacking energy: -654.315 Base-Backbone interact. energy: -2.762 local terms energy: -695.933754 where: bonds (distance) C4'-P energy: -140.227 bonds (distance) P-C4' energy: -132.132 flat angles C4'-P-C4' energy: -151.030 flat angles P-C4'-P energy: -74.278 tors. eta vs tors. theta energy: -198.267 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: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2023.206831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.206831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.206831 (E_RNA) where: Base-Base interactions energy: -1343.661 where: short stacking energy: -617.419 Base-Backbone interact. energy: -2.510 local terms energy: -677.035972 where: bonds (distance) C4'-P energy: -125.937 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -142.572 flat angles P-C4'-P energy: -106.256 tors. eta vs tors. theta energy: -170.758 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: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1833.477674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.477674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.477674 (E_RNA) where: Base-Base interactions energy: -1193.333 where: short stacking energy: -552.458 Base-Backbone interact. energy: -3.707 local terms energy: -636.437674 where: bonds (distance) C4'-P energy: -117.075 bonds (distance) P-C4' energy: -112.096 flat angles C4'-P-C4' energy: -149.947 flat angles P-C4'-P energy: -82.889 tors. eta vs tors. theta energy: -174.429 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: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1793.665404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.665404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.665404 (E_RNA) where: Base-Base interactions energy: -1177.814 where: short stacking energy: -508.202 Base-Backbone interact. energy: -0.843 local terms energy: -615.008788 where: bonds (distance) C4'-P energy: -123.377 bonds (distance) P-C4' energy: -136.997 flat angles C4'-P-C4' energy: -130.318 flat angles P-C4'-P energy: -86.428 tors. eta vs tors. theta energy: -137.889 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: 6, replica: 4 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1578.358562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.358562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.358562 (E_RNA) where: Base-Base interactions energy: -1050.511 where: short stacking energy: -459.214 Base-Backbone interact. energy: -2.262 local terms energy: -525.586067 where: bonds (distance) C4'-P energy: -86.217 bonds (distance) P-C4' energy: -127.150 flat angles C4'-P-C4' energy: -114.186 flat angles P-C4'-P energy: -85.095 tors. eta vs tors. theta energy: -112.939 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: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1332.721121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.721121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.721121 (E_RNA) where: Base-Base interactions energy: -833.724 where: short stacking energy: -403.000 Base-Backbone interact. energy: -2.786 local terms energy: -496.211507 where: bonds (distance) C4'-P energy: -112.594 bonds (distance) P-C4' energy: -120.186 flat angles C4'-P-C4' energy: -122.388 flat angles P-C4'-P energy: -70.222 tors. eta vs tors. theta energy: -70.822 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: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1164.977416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.977416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.977416 (E_RNA) where: Base-Base interactions energy: -726.728 where: short stacking energy: -370.535 Base-Backbone interact. energy: 0.640 local terms energy: -438.890076 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -126.626 flat angles C4'-P-C4' energy: -100.283 flat angles P-C4'-P energy: -55.035 tors. eta vs tors. theta energy: -72.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -866.518363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.518363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.518363 (E_RNA) where: Base-Base interactions energy: -478.877 where: short stacking energy: -277.215 Base-Backbone interact. energy: 0.683 local terms energy: -388.324121 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -103.813 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -67.591 tors. eta vs tors. theta energy: -21.730 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: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -612.462816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.462816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.462816 (E_RNA) where: Base-Base interactions energy: -282.166 where: short stacking energy: -178.744 Base-Backbone interact. energy: 6.564 local terms energy: -336.861132 where: bonds (distance) C4'-P energy: -102.250 bonds (distance) P-C4' energy: -101.815 flat angles C4'-P-C4' energy: -99.034 flat angles P-C4'-P energy: -48.580 tors. eta vs tors. theta energy: 14.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2220.422368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.422368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.422368 (E_RNA) where: Base-Base interactions energy: -1543.966 where: short stacking energy: -618.129 Base-Backbone interact. energy: -2.122 local terms energy: -674.334113 where: bonds (distance) C4'-P energy: -121.052 bonds (distance) P-C4' energy: -128.942 flat angles C4'-P-C4' energy: -157.743 flat angles P-C4'-P energy: -95.829 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: 2, replica: 10 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2156.616622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.616622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.616622 (E_RNA) where: Base-Base interactions energy: -1486.460 where: short stacking energy: -608.332 Base-Backbone interact. energy: 0.000 local terms energy: -670.156778 where: bonds (distance) C4'-P energy: -123.951 bonds (distance) P-C4' energy: -144.140 flat angles C4'-P-C4' energy: -145.356 flat angles P-C4'-P energy: -77.757 tors. eta vs tors. theta energy: -178.952 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: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1982.691830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.691830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.691830 (E_RNA) where: Base-Base interactions energy: -1311.832 where: short stacking energy: -567.012 Base-Backbone interact. energy: -3.664 local terms energy: -667.195895 where: bonds (distance) C4'-P energy: -119.329 bonds (distance) P-C4' energy: -135.170 flat angles C4'-P-C4' energy: -148.239 flat angles P-C4'-P energy: -94.472 tors. eta vs tors. theta energy: -169.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1874.500810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.500810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.500810 (E_RNA) where: Base-Base interactions energy: -1226.814 where: short stacking energy: -558.656 Base-Backbone interact. energy: -2.108 local terms energy: -645.579107 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -130.545 flat angles P-C4'-P energy: -92.724 tors. eta vs tors. theta energy: -166.543 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: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1722.275135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.275135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.275135 (E_RNA) where: Base-Base interactions energy: -1147.190 where: short stacking energy: -521.882 Base-Backbone interact. energy: -1.432 local terms energy: -573.653441 where: bonds (distance) C4'-P energy: -121.756 bonds (distance) P-C4' energy: -96.414 flat angles C4'-P-C4' energy: -138.464 flat angles P-C4'-P energy: -84.279 tors. eta vs tors. theta energy: -132.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1621.745584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.745584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.745584 (E_RNA) where: Base-Base interactions energy: -1075.730 where: short stacking energy: -456.963 Base-Backbone interact. energy: -2.377 local terms energy: -543.638404 where: bonds (distance) C4'-P energy: -113.737 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -120.351 flat angles P-C4'-P energy: -79.812 tors. eta vs tors. theta energy: -103.801 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: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1349.080996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.080996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.080996 (E_RNA) where: Base-Base interactions energy: -849.277 where: short stacking energy: -385.044 Base-Backbone interact. energy: -0.233 local terms energy: -499.571008 where: bonds (distance) C4'-P energy: -121.994 bonds (distance) P-C4' energy: -112.574 flat angles C4'-P-C4' energy: -109.031 flat angles P-C4'-P energy: -67.978 tors. eta vs tors. theta energy: -87.995 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: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1048.157906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.157906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.157906 (E_RNA) where: Base-Base interactions energy: -615.051 where: short stacking energy: -298.350 Base-Backbone interact. energy: 3.952 local terms energy: -437.058667 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -121.819 flat angles C4'-P-C4' energy: -107.696 flat angles P-C4'-P energy: -67.154 tors. eta vs tors. theta energy: -39.348 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: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -846.459152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.459152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.459152 (E_RNA) where: Base-Base interactions energy: -421.886 where: short stacking energy: -210.672 Base-Backbone interact. energy: 0.161 local terms energy: -424.734288 where: bonds (distance) C4'-P energy: -101.698 bonds (distance) P-C4' energy: -116.459 flat angles C4'-P-C4' energy: -119.490 flat angles P-C4'-P energy: -66.129 tors. eta vs tors. theta energy: -20.959 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: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -682.759367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.759367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.759367 (E_RNA) where: Base-Base interactions energy: -343.131 where: short stacking energy: -207.628 Base-Backbone interact. energy: 0.746 local terms energy: -340.373742 where: bonds (distance) C4'-P energy: -103.456 bonds (distance) P-C4' energy: -101.012 flat angles C4'-P-C4' energy: -89.005 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: 5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2244.743435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.743435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.743435 (E_RNA) where: Base-Base interactions energy: -1561.153 where: short stacking energy: -646.859 Base-Backbone interact. energy: 2.030 local terms energy: -685.620120 where: bonds (distance) C4'-P energy: -126.434 bonds (distance) P-C4' energy: -133.482 flat angles C4'-P-C4' energy: -154.112 flat angles P-C4'-P energy: -90.011 tors. eta vs tors. theta energy: -181.582 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: 10 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2190.911225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.911225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.911225 (E_RNA) where: Base-Base interactions energy: -1476.194 where: short stacking energy: -643.503 Base-Backbone interact. energy: 1.845 local terms energy: -716.561415 where: bonds (distance) C4'-P energy: -140.131 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -156.379 flat angles P-C4'-P energy: -102.487 tors. eta vs tors. theta energy: -193.048 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: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2005.665855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.665855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.665855 (E_RNA) where: Base-Base interactions energy: -1329.967 where: short stacking energy: -586.704 Base-Backbone interact. energy: -2.235 local terms energy: -673.463540 where: bonds (distance) C4'-P energy: -120.785 bonds (distance) P-C4' energy: -129.378 flat angles C4'-P-C4' energy: -150.116 flat angles P-C4'-P energy: -96.067 tors. eta vs tors. theta energy: -177.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1822.612138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.612138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.612138 (E_RNA) where: Base-Base interactions energy: -1205.298 where: short stacking energy: -561.230 Base-Backbone interact. energy: -1.750 local terms energy: -615.563736 where: bonds (distance) C4'-P energy: -128.642 bonds (distance) P-C4' energy: -108.713 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -156.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1723.676580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.676580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.676580 (E_RNA) where: Base-Base interactions energy: -1091.592 where: short stacking energy: -499.580 Base-Backbone interact. energy: -2.621 local terms energy: -629.463918 where: bonds (distance) C4'-P energy: -128.396 bonds (distance) P-C4' energy: -117.922 flat angles C4'-P-C4' energy: -142.203 flat angles P-C4'-P energy: -97.471 tors. eta vs tors. theta energy: -143.472 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: 4 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1626.027750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.027750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.027750 (E_RNA) where: Base-Base interactions energy: -1073.226 where: short stacking energy: -472.224 Base-Backbone interact. energy: 1.125 local terms energy: -553.926115 where: bonds (distance) C4'-P energy: -115.180 bonds (distance) P-C4' energy: -124.604 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -115.167 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: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1293.907639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.907639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.907639 (E_RNA) where: Base-Base interactions energy: -816.979 where: short stacking energy: -397.287 Base-Backbone interact. energy: -2.423 local terms energy: -474.505756 where: bonds (distance) C4'-P energy: -103.188 bonds (distance) P-C4' energy: -117.989 flat angles C4'-P-C4' energy: -118.321 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: -66.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1130.100469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.100469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.100469 (E_RNA) where: Base-Base interactions energy: -680.152 where: short stacking energy: -308.820 Base-Backbone interact. energy: -0.983 local terms energy: -448.965648 where: bonds (distance) C4'-P energy: -123.082 bonds (distance) P-C4' energy: -107.122 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -49.980 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: 9, replica: 6 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -868.358470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.358470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.358470 (E_RNA) where: Base-Base interactions energy: -470.065 where: short stacking energy: -260.860 Base-Backbone interact. energy: -1.083 local terms energy: -397.210600 where: bonds (distance) C4'-P energy: -117.209 bonds (distance) P-C4' energy: -97.885 flat angles C4'-P-C4' energy: -104.250 flat angles P-C4'-P energy: -60.008 tors. eta vs tors. theta energy: -17.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -676.699081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.699081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.699081 (E_RNA) where: Base-Base interactions energy: -281.224 where: short stacking energy: -177.679 Base-Backbone interact. energy: -1.104 local terms energy: -394.371255 where: bonds (distance) C4'-P energy: -100.981 bonds (distance) P-C4' energy: -134.792 flat angles C4'-P-C4' energy: -104.213 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: 9.917 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: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2263.018259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.018259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.018259 (E_RNA) where: Base-Base interactions energy: -1572.994 where: short stacking energy: -651.626 Base-Backbone interact. energy: -1.569 local terms energy: -688.455508 where: bonds (distance) C4'-P energy: -141.926 bonds (distance) P-C4' energy: -123.127 flat angles C4'-P-C4' energy: -148.550 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -179.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2171.655162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.655162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.655162 (E_RNA) where: Base-Base interactions energy: -1470.963 where: short stacking energy: -638.097 Base-Backbone interact. energy: -0.854 local terms energy: -699.838018 where: bonds (distance) C4'-P energy: -126.336 bonds (distance) P-C4' energy: -134.403 flat angles C4'-P-C4' energy: -143.869 flat angles P-C4'-P energy: -102.132 tors. eta vs tors. theta energy: -193.098 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: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2008.240097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.240097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.240097 (E_RNA) where: Base-Base interactions energy: -1351.656 where: short stacking energy: -595.407 Base-Backbone interact. energy: -3.485 local terms energy: -653.099311 where: bonds (distance) C4'-P energy: -136.118 bonds (distance) P-C4' energy: -132.832 flat angles C4'-P-C4' energy: -137.296 flat angles P-C4'-P energy: -75.266 tors. eta vs tors. theta energy: -171.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1795.333785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.333785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.333785 (E_RNA) where: Base-Base interactions energy: -1180.300 where: short stacking energy: -533.175 Base-Backbone interact. energy: -3.136 local terms energy: -611.897763 where: bonds (distance) C4'-P energy: -109.517 bonds (distance) P-C4' energy: -112.963 flat angles C4'-P-C4' energy: -148.673 flat angles P-C4'-P energy: -86.755 tors. eta vs tors. theta energy: -153.990 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: 5, replica: 3 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1723.576773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.576773 (E_RNA) where: Base-Base interactions energy: -1132.422 where: short stacking energy: -497.096 Base-Backbone interact. energy: -4.222 local terms energy: -586.933138 where: bonds (distance) C4'-P energy: -120.470 bonds (distance) P-C4' energy: -112.978 flat angles C4'-P-C4' energy: -134.535 flat angles P-C4'-P energy: -85.659 tors. eta vs tors. theta energy: -133.290 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: 6, replica: 4 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1622.632525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.632525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.632525 (E_RNA) where: Base-Base interactions energy: -1114.630 where: short stacking energy: -475.913 Base-Backbone interact. energy: -4.453 local terms energy: -503.549148 where: bonds (distance) C4'-P energy: -103.650 bonds (distance) P-C4' energy: -101.465 flat angles C4'-P-C4' energy: -118.596 flat angles P-C4'-P energy: -72.275 tors. eta vs tors. theta energy: -107.564 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: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1341.426686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.426686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.426686 (E_RNA) where: Base-Base interactions energy: -848.371 where: short stacking energy: -410.211 Base-Backbone interact. energy: 2.385 local terms energy: -495.440173 where: bonds (distance) C4'-P energy: -99.508 bonds (distance) P-C4' energy: -120.970 flat angles C4'-P-C4' energy: -105.339 flat angles P-C4'-P energy: -74.592 tors. eta vs tors. theta energy: -95.030 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: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1175.005907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.005907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.005907 (E_RNA) where: Base-Base interactions energy: -748.876 where: short stacking energy: -336.470 Base-Backbone interact. energy: -1.841 local terms energy: -424.288708 where: bonds (distance) C4'-P energy: -116.764 bonds (distance) P-C4' energy: -98.520 flat angles C4'-P-C4' energy: -90.616 flat angles P-C4'-P energy: -58.248 tors. eta vs tors. theta energy: -60.140 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: 6 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -871.811128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.811128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.811128 (E_RNA) where: Base-Base interactions energy: -483.705 where: short stacking energy: -245.365 Base-Backbone interact. energy: 5.810 local terms energy: -393.915753 where: bonds (distance) C4'-P energy: -103.265 bonds (distance) P-C4' energy: -117.360 flat angles C4'-P-C4' energy: -100.213 flat angles P-C4'-P energy: -61.983 tors. eta vs tors. theta energy: -11.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -582.070193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.070193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.070193 (E_RNA) where: Base-Base interactions energy: -246.648 where: short stacking energy: -156.394 Base-Backbone interact. energy: -0.790 local terms energy: -334.632294 where: bonds (distance) C4'-P energy: -83.316 bonds (distance) P-C4' energy: -124.540 flat angles C4'-P-C4' energy: -89.919 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: 9.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2255.783607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.783607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.783607 (E_RNA) where: Base-Base interactions energy: -1579.348 where: short stacking energy: -647.277 Base-Backbone interact. energy: -5.212 local terms energy: -671.223188 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -134.266 flat angles C4'-P-C4' energy: -148.685 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -167.269 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: 10 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2169.857271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.857271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.857271 (E_RNA) where: Base-Base interactions energy: -1464.086 where: short stacking energy: -625.909 Base-Backbone interact. energy: -4.649 local terms energy: -701.122777 where: bonds (distance) C4'-P energy: -141.361 bonds (distance) P-C4' energy: -139.943 flat angles C4'-P-C4' energy: -135.990 flat angles P-C4'-P energy: -96.629 tors. eta vs tors. theta energy: -187.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1981.074242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.074242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.074242 (E_RNA) where: Base-Base interactions energy: -1300.483 where: short stacking energy: -579.839 Base-Backbone interact. energy: -3.534 local terms energy: -677.057288 where: bonds (distance) C4'-P energy: -135.719 bonds (distance) P-C4' energy: -144.131 flat angles C4'-P-C4' energy: -129.693 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -178.554 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: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1859.671095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.671095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.671095 (E_RNA) where: Base-Base interactions energy: -1238.039 where: short stacking energy: -544.594 Base-Backbone interact. energy: -1.228 local terms energy: -620.403259 where: bonds (distance) C4'-P energy: -124.260 bonds (distance) P-C4' energy: -113.831 flat angles C4'-P-C4' energy: -139.669 flat angles P-C4'-P energy: -95.865 tors. eta vs tors. theta energy: -146.777 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: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1758.756198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.756198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.756198 (E_RNA) where: Base-Base interactions energy: -1161.880 where: short stacking energy: -496.157 Base-Backbone interact. energy: -0.221 local terms energy: -596.655458 where: bonds (distance) C4'-P energy: -115.838 bonds (distance) P-C4' energy: -123.585 flat angles C4'-P-C4' energy: -126.720 flat angles P-C4'-P energy: -90.896 tors. eta vs tors. theta energy: -139.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1597.554506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.554506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.554506 (E_RNA) where: Base-Base interactions energy: -1063.692 where: short stacking energy: -474.815 Base-Backbone interact. energy: 0.566 local terms energy: -534.428067 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -130.098 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -69.448 tors. eta vs tors. theta energy: -105.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1335.611414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.611414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.611414 (E_RNA) where: Base-Base interactions energy: -833.311 where: short stacking energy: -402.392 Base-Backbone interact. energy: 3.553 local terms energy: -505.853397 where: bonds (distance) C4'-P energy: -128.353 bonds (distance) P-C4' energy: -105.741 flat angles C4'-P-C4' energy: -114.651 flat angles P-C4'-P energy: -64.365 tors. eta vs tors. theta energy: -92.744 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: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1164.196155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.196155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.196155 (E_RNA) where: Base-Base interactions energy: -731.554 where: short stacking energy: -334.720 Base-Backbone interact. energy: 5.554 local terms energy: -438.196198 where: bonds (distance) C4'-P energy: -118.672 bonds (distance) P-C4' energy: -97.015 flat angles C4'-P-C4' energy: -112.499 flat angles P-C4'-P energy: -58.942 tors. eta vs tors. theta energy: -51.068 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: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -924.269646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.269646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.269646 (E_RNA) where: Base-Base interactions energy: -535.058 where: short stacking energy: -271.450 Base-Backbone interact. energy: -2.019 local terms energy: -387.192651 where: bonds (distance) C4'-P energy: -93.553 bonds (distance) P-C4' energy: -127.266 flat angles C4'-P-C4' energy: -79.550 flat angles P-C4'-P energy: -60.745 tors. eta vs tors. theta energy: -26.080 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: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -626.339841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.339841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.339841 (E_RNA) where: Base-Base interactions energy: -276.104 where: short stacking energy: -192.525 Base-Backbone interact. energy: -1.148 local terms energy: -349.088272 where: bonds (distance) C4'-P energy: -102.846 bonds (distance) P-C4' energy: -96.063 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -3.141 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: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2268.341897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.341897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.341897 (E_RNA) where: Base-Base interactions energy: -1600.938 where: short stacking energy: -650.896 Base-Backbone interact. energy: -1.991 local terms energy: -665.412821 where: bonds (distance) C4'-P energy: -127.807 bonds (distance) P-C4' energy: -137.200 flat angles C4'-P-C4' energy: -136.246 flat angles P-C4'-P energy: -96.670 tors. eta vs tors. theta energy: -167.490 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: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2199.930030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.930030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.930030 (E_RNA) where: Base-Base interactions energy: -1494.038 where: short stacking energy: -657.627 Base-Backbone interact. energy: -2.220 local terms energy: -703.671990 where: bonds (distance) C4'-P energy: -132.053 bonds (distance) P-C4' energy: -128.177 flat angles C4'-P-C4' energy: -147.907 flat angles P-C4'-P energy: -109.411 tors. eta vs tors. theta energy: -186.124 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: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2011.128712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.128712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.128712 (E_RNA) where: Base-Base interactions energy: -1315.530 where: short stacking energy: -596.262 Base-Backbone interact. energy: -2.476 local terms energy: -693.122977 where: bonds (distance) C4'-P energy: -135.071 bonds (distance) P-C4' energy: -132.089 flat angles C4'-P-C4' energy: -148.470 flat angles P-C4'-P energy: -93.426 tors. eta vs tors. theta energy: -184.067 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: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1858.178721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.178721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.178721 (E_RNA) where: Base-Base interactions energy: -1245.706 where: short stacking energy: -591.415 Base-Backbone interact. energy: -1.595 local terms energy: -610.877483 where: bonds (distance) C4'-P energy: -114.392 bonds (distance) P-C4' energy: -124.279 flat angles C4'-P-C4' energy: -125.109 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -165.942 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: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1734.462599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.462599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.462599 (E_RNA) where: Base-Base interactions energy: -1150.310 where: short stacking energy: -508.126 Base-Backbone interact. energy: -0.673 local terms energy: -583.478996 where: bonds (distance) C4'-P energy: -118.476 bonds (distance) P-C4' energy: -108.970 flat angles C4'-P-C4' energy: -132.558 flat angles P-C4'-P energy: -91.601 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: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1617.991133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.991133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.991133 (E_RNA) where: Base-Base interactions energy: -1064.942 where: short stacking energy: -479.101 Base-Backbone interact. energy: -5.349 local terms energy: -547.700614 where: bonds (distance) C4'-P energy: -109.524 bonds (distance) P-C4' energy: -126.341 flat angles C4'-P-C4' energy: -126.966 flat angles P-C4'-P energy: -70.374 tors. eta vs tors. theta energy: -114.496 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: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1331.209206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.209206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.209206 (E_RNA) where: Base-Base interactions energy: -830.447 where: short stacking energy: -381.184 Base-Backbone interact. energy: -3.262 local terms energy: -497.500310 where: bonds (distance) C4'-P energy: -119.891 bonds (distance) P-C4' energy: -114.821 flat angles C4'-P-C4' energy: -125.203 flat angles P-C4'-P energy: -68.084 tors. eta vs tors. theta energy: -69.501 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: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1238.806430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.806430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.806430 (E_RNA) where: Base-Base interactions energy: -762.824 where: short stacking energy: -359.284 Base-Backbone interact. energy: -1.926 local terms energy: -474.055884 where: bonds (distance) C4'-P energy: -109.793 bonds (distance) P-C4' energy: -115.941 flat angles C4'-P-C4' energy: -108.073 flat angles P-C4'-P energy: -67.104 tors. eta vs tors. theta energy: -73.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -881.177607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.177607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.177607 (E_RNA) where: Base-Base interactions energy: -514.523 where: short stacking energy: -267.119 Base-Backbone interact. energy: -2.010 local terms energy: -364.645183 where: bonds (distance) C4'-P energy: -101.636 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -94.031 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -10.017 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: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -589.553858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.553858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.553858 (E_RNA) where: Base-Base interactions energy: -221.809 where: short stacking energy: -170.331 Base-Backbone interact. energy: 0.200 local terms energy: -367.944600 where: bonds (distance) C4'-P energy: -98.149 bonds (distance) P-C4' energy: -133.237 flat angles C4'-P-C4' energy: -74.334 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: 0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2276.652766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.652766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.652766 (E_RNA) where: Base-Base interactions energy: -1567.927 where: short stacking energy: -631.354 Base-Backbone interact. energy: -4.368 local terms energy: -704.357462 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -151.943 flat angles C4'-P-C4' energy: -143.401 flat angles P-C4'-P energy: -103.056 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: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2219.087757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.087757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.087757 (E_RNA) where: Base-Base interactions energy: -1515.407 where: short stacking energy: -646.220 Base-Backbone interact. energy: -2.587 local terms energy: -701.093662 where: bonds (distance) C4'-P energy: -138.770 bonds (distance) P-C4' energy: -129.381 flat angles C4'-P-C4' energy: -147.700 flat angles P-C4'-P energy: -90.635 tors. eta vs tors. theta energy: -194.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2022.847270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.847270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.847270 (E_RNA) where: Base-Base interactions energy: -1356.325 where: short stacking energy: -623.049 Base-Backbone interact. energy: -1.907 local terms energy: -664.616044 where: bonds (distance) C4'-P energy: -122.633 bonds (distance) P-C4' energy: -125.416 flat angles C4'-P-C4' energy: -139.961 flat angles P-C4'-P energy: -100.724 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: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1820.993828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.993828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.993828 (E_RNA) where: Base-Base interactions energy: -1200.096 where: short stacking energy: -569.356 Base-Backbone interact. energy: -1.827 local terms energy: -619.071379 where: bonds (distance) C4'-P energy: -109.156 bonds (distance) P-C4' energy: -131.581 flat angles C4'-P-C4' energy: -131.643 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -152.998 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: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1753.139863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.139863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.139863 (E_RNA) where: Base-Base interactions energy: -1160.908 where: short stacking energy: -526.146 Base-Backbone interact. energy: -1.595 local terms energy: -590.636560 where: bonds (distance) C4'-P energy: -115.560 bonds (distance) P-C4' energy: -116.948 flat angles C4'-P-C4' energy: -128.828 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -143.100 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: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1595.371125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.371125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.371125 (E_RNA) where: Base-Base interactions energy: -1043.505 where: short stacking energy: -449.787 Base-Backbone interact. energy: 0.504 local terms energy: -552.369413 where: bonds (distance) C4'-P energy: -106.356 bonds (distance) P-C4' energy: -124.784 flat angles C4'-P-C4' energy: -121.309 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -108.005 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: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1356.880237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.880237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.880237 (E_RNA) where: Base-Base interactions energy: -845.731 where: short stacking energy: -377.151 Base-Backbone interact. energy: -1.265 local terms energy: -509.884240 where: bonds (distance) C4'-P energy: -132.047 bonds (distance) P-C4' energy: -122.322 flat angles C4'-P-C4' energy: -107.216 flat angles P-C4'-P energy: -70.862 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: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1253.164829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.164829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.164829 (E_RNA) where: Base-Base interactions energy: -790.585 where: short stacking energy: -376.297 Base-Backbone interact. energy: 3.496 local terms energy: -466.076225 where: bonds (distance) C4'-P energy: -109.820 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -111.608 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -73.190 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: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -902.240930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.240930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.240930 (E_RNA) where: Base-Base interactions energy: -492.945 where: short stacking energy: -279.277 Base-Backbone interact. energy: -2.627 local terms energy: -406.668838 where: bonds (distance) C4'-P energy: -109.932 bonds (distance) P-C4' energy: -112.603 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -26.604 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: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -595.655110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.655110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.655110 (E_RNA) where: Base-Base interactions energy: -247.069 where: short stacking energy: -173.824 Base-Backbone interact. energy: 3.193 local terms energy: -351.779329 where: bonds (distance) C4'-P energy: -104.861 bonds (distance) P-C4' energy: -110.702 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: 10.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2311.312544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.312544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.312544 (E_RNA) where: Base-Base interactions energy: -1604.399 where: short stacking energy: -637.914 Base-Backbone interact. energy: -2.461 local terms energy: -704.452633 where: bonds (distance) C4'-P energy: -137.614 bonds (distance) P-C4' energy: -146.035 flat angles C4'-P-C4' energy: -149.803 flat angles P-C4'-P energy: -94.521 tors. eta vs tors. theta energy: -176.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2209.800488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.800488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.800488 (E_RNA) where: Base-Base interactions energy: -1524.447 where: short stacking energy: -647.251 Base-Backbone interact. energy: -1.928 local terms energy: -683.426043 where: bonds (distance) C4'-P energy: -130.521 bonds (distance) P-C4' energy: -122.977 flat angles C4'-P-C4' energy: -149.081 flat angles P-C4'-P energy: -91.834 tors. eta vs tors. theta energy: -189.014 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: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2026.276503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.276503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.276503 (E_RNA) where: Base-Base interactions energy: -1370.507 where: short stacking energy: -619.832 Base-Backbone interact. energy: -2.112 local terms energy: -653.657433 where: bonds (distance) C4'-P energy: -116.018 bonds (distance) P-C4' energy: -127.891 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -96.749 tors. eta vs tors. theta energy: -181.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1811.661127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.661127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.661127 (E_RNA) where: Base-Base interactions energy: -1194.695 where: short stacking energy: -546.291 Base-Backbone interact. energy: -4.681 local terms energy: -612.284482 where: bonds (distance) C4'-P energy: -113.972 bonds (distance) P-C4' energy: -124.037 flat angles C4'-P-C4' energy: -147.351 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -149.282 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: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1761.281350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.281350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.281350 (E_RNA) where: Base-Base interactions energy: -1203.186 where: short stacking energy: -536.809 Base-Backbone interact. energy: -2.906 local terms energy: -555.188701 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -98.814 flat angles C4'-P-C4' energy: -135.854 flat angles P-C4'-P energy: -71.756 tors. eta vs tors. theta energy: -149.894 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1643.975977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.975977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.975977 (E_RNA) where: Base-Base interactions energy: -1065.887 where: short stacking energy: -492.209 Base-Backbone interact. energy: -0.693 local terms energy: -577.395796 where: bonds (distance) C4'-P energy: -110.466 bonds (distance) P-C4' energy: -121.237 flat angles C4'-P-C4' energy: -133.123 flat angles P-C4'-P energy: -95.759 tors. eta vs tors. theta energy: -116.811 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: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1319.939889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.939889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.939889 (E_RNA) where: Base-Base interactions energy: -814.209 where: short stacking energy: -392.295 Base-Backbone interact. energy: -1.683 local terms energy: -504.047382 where: bonds (distance) C4'-P energy: -123.799 bonds (distance) P-C4' energy: -119.153 flat angles C4'-P-C4' energy: -117.909 flat angles P-C4'-P energy: -59.568 tors. eta vs tors. theta energy: -83.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1293.106718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.106718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.106718 (E_RNA) where: Base-Base interactions energy: -814.348 where: short stacking energy: -384.405 Base-Backbone interact. energy: -3.294 local terms energy: -475.465093 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -112.954 flat angles C4'-P-C4' energy: -115.309 flat angles P-C4'-P energy: -64.683 tors. eta vs tors. theta energy: -77.696 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: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -809.646405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.646405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.646405 (E_RNA) where: Base-Base interactions energy: -411.084 where: short stacking energy: -205.111 Base-Backbone interact. energy: -1.407 local terms energy: -397.154749 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -121.119 flat angles C4'-P-C4' energy: -113.149 flat angles P-C4'-P energy: -61.502 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -592.563816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.563816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.563816 (E_RNA) where: Base-Base interactions energy: -247.883 where: short stacking energy: -169.868 Base-Backbone interact. energy: 2.930 local terms energy: -347.611392 where: bonds (distance) C4'-P energy: -119.943 bonds (distance) P-C4' energy: -106.802 flat angles C4'-P-C4' energy: -88.468 flat angles P-C4'-P energy: -43.751 tors. eta vs tors. theta energy: 11.353 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: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2281.491403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.491403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.491403 (E_RNA) where: Base-Base interactions energy: -1622.988 where: short stacking energy: -644.059 Base-Backbone interact. energy: 1.624 local terms energy: -660.127302 where: bonds (distance) C4'-P energy: -131.137 bonds (distance) P-C4' energy: -125.140 flat angles C4'-P-C4' energy: -140.170 flat angles P-C4'-P energy: -88.568 tors. eta vs tors. theta energy: -175.112 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: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2199.735854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.735854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.735854 (E_RNA) where: Base-Base interactions energy: -1489.536 where: short stacking energy: -647.203 Base-Backbone interact. energy: -2.358 local terms energy: -707.842147 where: bonds (distance) C4'-P energy: -121.587 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -148.251 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -192.164 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: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2018.633456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.633456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.633456 (E_RNA) where: Base-Base interactions energy: -1348.605 where: short stacking energy: -602.689 Base-Backbone interact. energy: 2.338 local terms energy: -672.366727 where: bonds (distance) C4'-P energy: -111.713 bonds (distance) P-C4' energy: -126.376 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -108.932 tors. eta vs tors. theta energy: -180.023 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: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1846.915890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.915890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.915890 (E_RNA) where: Base-Base interactions energy: -1214.177 where: short stacking energy: -552.260 Base-Backbone interact. energy: 0.277 local terms energy: -633.016395 where: bonds (distance) C4'-P energy: -117.928 bonds (distance) P-C4' energy: -115.823 flat angles C4'-P-C4' energy: -148.947 flat angles P-C4'-P energy: -95.350 tors. eta vs tors. theta energy: -154.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1706.680212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.680212 (E_RNA) where: Base-Base interactions energy: -1117.713 where: short stacking energy: -496.608 Base-Backbone interact. energy: -0.434 local terms energy: -588.533502 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -120.365 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -85.941 tors. eta vs tors. theta energy: -136.005 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: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1631.447987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.447987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.447987 (E_RNA) where: Base-Base interactions energy: -1092.815 where: short stacking energy: -457.584 Base-Backbone interact. energy: -5.062 local terms energy: -533.571159 where: bonds (distance) C4'-P energy: -114.310 bonds (distance) P-C4' energy: -122.558 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -76.384 tors. eta vs tors. theta energy: -103.751 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: 7, replica: 2 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1372.666201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.666201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.666201 (E_RNA) where: Base-Base interactions energy: -858.305 where: short stacking energy: -374.900 Base-Backbone interact. energy: 1.065 local terms energy: -515.426507 where: bonds (distance) C4'-P energy: -103.537 bonds (distance) P-C4' energy: -129.934 flat angles C4'-P-C4' energy: -117.597 flat angles P-C4'-P energy: -88.883 tors. eta vs tors. theta energy: -75.476 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: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1239.988890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.988890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.988890 (E_RNA) where: Base-Base interactions energy: -790.264 where: short stacking energy: -373.323 Base-Backbone interact. energy: 8.251 local terms energy: -457.976448 where: bonds (distance) C4'-P energy: -100.928 bonds (distance) P-C4' energy: -123.940 flat angles C4'-P-C4' energy: -102.971 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -57.634 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: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -800.483104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.483104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.483104 (E_RNA) where: Base-Base interactions energy: -439.814 where: short stacking energy: -241.520 Base-Backbone interact. energy: 3.147 local terms energy: -363.815397 where: bonds (distance) C4'-P energy: -101.491 bonds (distance) P-C4' energy: -113.532 flat angles C4'-P-C4' energy: -110.622 flat angles P-C4'-P energy: -26.635 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -631.456782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.456782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.456782 (E_RNA) where: Base-Base interactions energy: -242.949 where: short stacking energy: -168.292 Base-Backbone interact. energy: 2.149 local terms energy: -390.656818 where: bonds (distance) C4'-P energy: -123.877 bonds (distance) P-C4' energy: -120.048 flat angles C4'-P-C4' energy: -109.489 flat angles P-C4'-P energy: -61.701 tors. eta vs tors. theta energy: 24.459 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: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2311.926903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.926903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.926903 (E_RNA) where: Base-Base interactions energy: -1593.149 where: short stacking energy: -623.686 Base-Backbone interact. energy: -2.592 local terms energy: -716.186348 where: bonds (distance) C4'-P energy: -131.934 bonds (distance) P-C4' energy: -144.299 flat angles C4'-P-C4' energy: -153.892 flat angles P-C4'-P energy: -103.454 tors. eta vs tors. theta energy: -182.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2259.294306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.294306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.294306 (E_RNA) where: Base-Base interactions energy: -1519.812 where: short stacking energy: -685.698 Base-Backbone interact. energy: -1.200 local terms energy: -738.281843 where: bonds (distance) C4'-P energy: -137.056 bonds (distance) P-C4' energy: -134.443 flat angles C4'-P-C4' energy: -158.666 flat angles P-C4'-P energy: -107.702 tors. eta vs tors. theta energy: -200.415 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: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2048.552967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.552967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.552967 (E_RNA) where: Base-Base interactions energy: -1357.560 where: short stacking energy: -622.590 Base-Backbone interact. energy: -4.296 local terms energy: -686.696691 where: bonds (distance) C4'-P energy: -132.687 bonds (distance) P-C4' energy: -133.157 flat angles C4'-P-C4' energy: -154.352 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -185.143 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: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1856.563654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.563654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.563654 (E_RNA) where: Base-Base interactions energy: -1250.055 where: short stacking energy: -547.787 Base-Backbone interact. energy: -0.684 local terms energy: -605.824154 where: bonds (distance) C4'-P energy: -123.537 bonds (distance) P-C4' energy: -122.380 flat angles C4'-P-C4' energy: -134.922 flat angles P-C4'-P energy: -75.453 tors. eta vs tors. theta energy: -149.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1702.227849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.227849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.227849 (E_RNA) where: Base-Base interactions energy: -1092.135 where: short stacking energy: -524.701 Base-Backbone interact. energy: -1.432 local terms energy: -608.660364 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -117.745 flat angles C4'-P-C4' energy: -141.686 flat angles P-C4'-P energy: -93.811 tors. eta vs tors. theta energy: -137.849 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: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1556.434871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.434871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.434871 (E_RNA) where: Base-Base interactions energy: -986.131 where: short stacking energy: -429.084 Base-Backbone interact. energy: -0.002 local terms energy: -570.302030 where: bonds (distance) C4'-P energy: -114.859 bonds (distance) P-C4' energy: -120.769 flat angles C4'-P-C4' energy: -133.875 flat angles P-C4'-P energy: -86.354 tors. eta vs tors. theta energy: -114.445 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1391.584921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.584921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.584921 (E_RNA) where: Base-Base interactions energy: -892.051 where: short stacking energy: -421.686 Base-Backbone interact. energy: -2.702 local terms energy: -496.832016 where: bonds (distance) C4'-P energy: -98.714 bonds (distance) P-C4' energy: -112.191 flat angles C4'-P-C4' energy: -115.472 flat angles P-C4'-P energy: -82.397 tors. eta vs tors. theta energy: -88.057 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: 7 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1212.241244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.241244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.241244 (E_RNA) where: Base-Base interactions energy: -739.708 where: short stacking energy: -349.570 Base-Backbone interact. energy: 0.530 local terms energy: -473.062405 where: bonds (distance) C4'-P energy: -92.077 bonds (distance) P-C4' energy: -124.113 flat angles C4'-P-C4' energy: -123.453 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -65.971 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: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -930.522340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.522340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.522340 (E_RNA) where: Base-Base interactions energy: -522.314 where: short stacking energy: -265.328 Base-Backbone interact. energy: 3.391 local terms energy: -411.599199 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -103.312 flat angles C4'-P-C4' energy: -92.347 flat angles P-C4'-P energy: -58.039 tors. eta vs tors. theta energy: -41.666 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: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -616.019679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.019679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.019679 (E_RNA) where: Base-Base interactions energy: -255.745 where: short stacking energy: -152.339 Base-Backbone interact. energy: 11.233 local terms energy: -371.507374 where: bonds (distance) C4'-P energy: -104.374 bonds (distance) P-C4' energy: -131.234 flat angles C4'-P-C4' energy: -99.439 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: 19.248 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: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2311.408010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.408010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.408010 (E_RNA) where: Base-Base interactions energy: -1604.223 where: short stacking energy: -634.760 Base-Backbone interact. energy: -2.907 local terms energy: -704.278624 where: bonds (distance) C4'-P energy: -134.679 bonds (distance) P-C4' energy: -126.654 flat angles C4'-P-C4' energy: -159.549 flat angles P-C4'-P energy: -97.492 tors. eta vs tors. theta energy: -185.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2221.440531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.440531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.440531 (E_RNA) where: Base-Base interactions energy: -1515.726 where: short stacking energy: -651.973 Base-Backbone interact. energy: -3.333 local terms energy: -702.380873 where: bonds (distance) C4'-P energy: -119.733 bonds (distance) P-C4' energy: -139.944 flat angles C4'-P-C4' energy: -139.191 flat angles P-C4'-P energy: -107.222 tors. eta vs tors. theta energy: -196.292 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: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2058.405215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.405215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.405215 (E_RNA) where: Base-Base interactions energy: -1365.330 where: short stacking energy: -609.705 Base-Backbone interact. energy: -0.986 local terms energy: -692.089374 where: bonds (distance) C4'-P energy: -130.417 bonds (distance) P-C4' energy: -133.977 flat angles C4'-P-C4' energy: -143.939 flat angles P-C4'-P energy: -102.696 tors. eta vs tors. theta energy: -181.060 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: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1912.375933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.375933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.375933 (E_RNA) where: Base-Base interactions energy: -1278.394 where: short stacking energy: -567.567 Base-Backbone interact. energy: 1.595 local terms energy: -635.576632 where: bonds (distance) C4'-P energy: -121.978 bonds (distance) P-C4' energy: -115.007 flat angles C4'-P-C4' energy: -141.856 flat angles P-C4'-P energy: -84.888 tors. eta vs tors. theta energy: -171.848 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: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1703.362052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.362052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.362052 (E_RNA) where: Base-Base interactions energy: -1104.973 where: short stacking energy: -488.619 Base-Backbone interact. energy: -0.906 local terms energy: -597.483094 where: bonds (distance) C4'-P energy: -121.231 bonds (distance) P-C4' energy: -125.816 flat angles C4'-P-C4' energy: -126.857 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -139.571 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: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1562.440169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.440169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.440169 (E_RNA) where: Base-Base interactions energy: -1003.150 where: short stacking energy: -421.161 Base-Backbone interact. energy: -0.620 local terms energy: -558.670658 where: bonds (distance) C4'-P energy: -112.646 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -111.151 flat angles P-C4'-P energy: -86.925 tors. eta vs tors. theta energy: -109.560 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: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1393.959368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.959368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.959368 (E_RNA) where: Base-Base interactions energy: -891.825 where: short stacking energy: -450.729 Base-Backbone interact. energy: -1.433 local terms energy: -500.701814 where: bonds (distance) C4'-P energy: -126.509 bonds (distance) P-C4' energy: -126.333 flat angles C4'-P-C4' energy: -94.724 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -105.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1240.648878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.648878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.648878 (E_RNA) where: Base-Base interactions energy: -797.347 where: short stacking energy: -368.423 Base-Backbone interact. energy: -0.004 local terms energy: -443.298731 where: bonds (distance) C4'-P energy: -109.715 bonds (distance) P-C4' energy: -122.021 flat angles C4'-P-C4' energy: -101.842 flat angles P-C4'-P energy: -49.649 tors. eta vs tors. theta energy: -60.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -934.210375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.210375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.210375 (E_RNA) where: Base-Base interactions energy: -503.450 where: short stacking energy: -263.516 Base-Backbone interact. energy: -3.174 local terms energy: -427.586842 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -120.557 flat angles C4'-P-C4' energy: -93.055 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -29.083 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: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -585.629410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.629410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.629410 (E_RNA) where: Base-Base interactions energy: -258.482 where: short stacking energy: -159.337 Base-Backbone interact. energy: -2.831 local terms energy: -324.316665 where: bonds (distance) C4'-P energy: -100.321 bonds (distance) P-C4' energy: -120.186 flat angles C4'-P-C4' energy: -83.841 flat angles P-C4'-P energy: -50.009 tors. eta vs tors. theta energy: 30.040 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: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2269.785694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.785694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.785694 (E_RNA) where: Base-Base interactions energy: -1571.412 where: short stacking energy: -635.673 Base-Backbone interact. energy: -0.254 local terms energy: -698.120277 where: bonds (distance) C4'-P energy: -134.130 bonds (distance) P-C4' energy: -142.598 flat angles C4'-P-C4' energy: -145.312 flat angles P-C4'-P energy: -94.639 tors. eta vs tors. theta energy: -181.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2270.725979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.725979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.725979 (E_RNA) where: Base-Base interactions energy: -1538.121 where: short stacking energy: -686.297 Base-Backbone interact. energy: -4.533 local terms energy: -728.072209 where: bonds (distance) C4'-P energy: -113.161 bonds (distance) P-C4' energy: -138.644 flat angles C4'-P-C4' energy: -156.090 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -211.523 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: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2075.355507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.355507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.355507 (E_RNA) where: Base-Base interactions energy: -1390.500 where: short stacking energy: -637.828 Base-Backbone interact. energy: -2.429 local terms energy: -682.426487 where: bonds (distance) C4'-P energy: -125.882 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -152.106 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -197.530 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: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1938.525638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.525638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.525638 (E_RNA) where: Base-Base interactions energy: -1313.834 where: short stacking energy: -588.166 Base-Backbone interact. energy: -0.568 local terms energy: -624.123147 where: bonds (distance) C4'-P energy: -108.851 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -94.497 tors. eta vs tors. theta energy: -159.178 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: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1671.719264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.719264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.719264 (E_RNA) where: Base-Base interactions energy: -1047.342 where: short stacking energy: -457.235 Base-Backbone interact. energy: -3.446 local terms energy: -620.931409 where: bonds (distance) C4'-P energy: -121.785 bonds (distance) P-C4' energy: -121.598 flat angles C4'-P-C4' energy: -137.290 flat angles P-C4'-P energy: -103.435 tors. eta vs tors. theta energy: -136.824 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: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1569.878586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.878586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.878586 (E_RNA) where: Base-Base interactions energy: -1039.034 where: short stacking energy: -462.672 Base-Backbone interact. energy: -0.339 local terms energy: -530.504787 where: bonds (distance) C4'-P energy: -121.334 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -117.510 flat angles P-C4'-P energy: -77.593 tors. eta vs tors. theta energy: -107.829 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: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1388.121401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.121401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.121401 (E_RNA) where: Base-Base interactions energy: -880.562 where: short stacking energy: -388.881 Base-Backbone interact. energy: -0.366 local terms energy: -507.194172 where: bonds (distance) C4'-P energy: -120.875 bonds (distance) P-C4' energy: -129.158 flat angles C4'-P-C4' energy: -104.519 flat angles P-C4'-P energy: -65.830 tors. eta vs tors. theta energy: -86.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1263.076296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.076296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.076296 (E_RNA) where: Base-Base interactions energy: -771.303 where: short stacking energy: -354.554 Base-Backbone interact. energy: 1.065 local terms energy: -492.838400 where: bonds (distance) C4'-P energy: -113.011 bonds (distance) P-C4' energy: -125.771 flat angles C4'-P-C4' energy: -104.080 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -76.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -920.111809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.111809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.111809 (E_RNA) where: Base-Base interactions energy: -554.959 where: short stacking energy: -255.315 Base-Backbone interact. energy: -1.273 local terms energy: -363.879559 where: bonds (distance) C4'-P energy: -107.354 bonds (distance) P-C4' energy: -113.588 flat angles C4'-P-C4' energy: -107.853 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: 4.426 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: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -610.320446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.320446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.320446 (E_RNA) where: Base-Base interactions energy: -239.887 where: short stacking energy: -159.656 Base-Backbone interact. energy: 6.730 local terms energy: -377.163163 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -55.796 tors. eta vs tors. theta energy: 15.137 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: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2316.511862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.511862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.511862 (E_RNA) where: Base-Base interactions energy: -1622.575 where: short stacking energy: -659.343 Base-Backbone interact. energy: -2.984 local terms energy: -690.952791 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -137.224 flat angles C4'-P-C4' energy: -149.173 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -176.970 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: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2248.652385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.652385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.652385 (E_RNA) where: Base-Base interactions energy: -1549.845 where: short stacking energy: -673.462 Base-Backbone interact. energy: -1.562 local terms energy: -697.245132 where: bonds (distance) C4'-P energy: -106.501 bonds (distance) P-C4' energy: -139.897 flat angles C4'-P-C4' energy: -147.395 flat angles P-C4'-P energy: -109.787 tors. eta vs tors. theta energy: -193.665 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: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2035.778799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.778799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.778799 (E_RNA) where: Base-Base interactions energy: -1366.030 where: short stacking energy: -590.830 Base-Backbone interact. energy: -2.715 local terms energy: -667.033950 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -121.008 flat angles C4'-P-C4' energy: -149.477 flat angles P-C4'-P energy: -91.272 tors. eta vs tors. theta energy: -176.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1939.452218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.452218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.452218 (E_RNA) where: Base-Base interactions energy: -1305.088 where: short stacking energy: -565.592 Base-Backbone interact. energy: -2.544 local terms energy: -631.820527 where: bonds (distance) C4'-P energy: -126.489 bonds (distance) P-C4' energy: -116.695 flat angles C4'-P-C4' energy: -145.496 flat angles P-C4'-P energy: -81.846 tors. eta vs tors. theta energy: -161.294 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: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1668.942739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.942739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.942739 (E_RNA) where: Base-Base interactions energy: -1100.725 where: short stacking energy: -480.498 Base-Backbone interact. energy: 4.572 local terms energy: -572.789298 where: bonds (distance) C4'-P energy: -113.689 bonds (distance) P-C4' energy: -122.929 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: -127.648 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: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1578.380614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.380614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.380614 (E_RNA) where: Base-Base interactions energy: -1018.503 where: short stacking energy: -486.127 Base-Backbone interact. energy: -2.406 local terms energy: -557.471026 where: bonds (distance) C4'-P energy: -109.477 bonds (distance) P-C4' energy: -125.931 flat angles C4'-P-C4' energy: -127.693 flat angles P-C4'-P energy: -66.777 tors. eta vs tors. theta energy: -127.592 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: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1437.943442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.943442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.943442 (E_RNA) where: Base-Base interactions energy: -881.846 where: short stacking energy: -423.498 Base-Backbone interact. energy: -2.470 local terms energy: -553.627201 where: bonds (distance) C4'-P energy: -121.536 bonds (distance) P-C4' energy: -124.857 flat angles C4'-P-C4' energy: -129.919 flat angles P-C4'-P energy: -73.208 tors. eta vs tors. theta energy: -104.107 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: 7 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1300.139754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.139754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.139754 (E_RNA) where: Base-Base interactions energy: -801.071 where: short stacking energy: -391.147 Base-Backbone interact. energy: 0.358 local terms energy: -499.426819 where: bonds (distance) C4'-P energy: -103.047 bonds (distance) P-C4' energy: -124.700 flat angles C4'-P-C4' energy: -118.732 flat angles P-C4'-P energy: -58.243 tors. eta vs tors. theta energy: -94.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -980.924043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.924043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.924043 (E_RNA) where: Base-Base interactions energy: -549.445 where: short stacking energy: -244.431 Base-Backbone interact. energy: 2.326 local terms energy: -433.804908 where: bonds (distance) C4'-P energy: -99.194 bonds (distance) P-C4' energy: -123.712 flat angles C4'-P-C4' energy: -106.529 flat angles P-C4'-P energy: -74.798 tors. eta vs tors. theta energy: -29.572 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: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -651.810219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.810219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.810219 (E_RNA) where: Base-Base interactions energy: -284.415 where: short stacking energy: -174.628 Base-Backbone interact. energy: 2.686 local terms energy: -370.081233 where: bonds (distance) C4'-P energy: -99.573 bonds (distance) P-C4' energy: -122.321 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: 12.515 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: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2301.073375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.073375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.073375 (E_RNA) where: Base-Base interactions energy: -1603.052 where: short stacking energy: -639.880 Base-Backbone interact. energy: -3.760 local terms energy: -694.261934 where: bonds (distance) C4'-P energy: -131.195 bonds (distance) P-C4' energy: -137.970 flat angles C4'-P-C4' energy: -155.140 flat angles P-C4'-P energy: -99.670 tors. eta vs tors. theta energy: -170.286 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: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2222.978098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.978098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.978098 (E_RNA) where: Base-Base interactions energy: -1510.031 where: short stacking energy: -646.353 Base-Backbone interact. energy: -5.428 local terms energy: -707.519301 where: bonds (distance) C4'-P energy: -127.713 bonds (distance) P-C4' energy: -140.455 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -105.430 tors. eta vs tors. theta energy: -185.817 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: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2041.695054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.695054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.695054 (E_RNA) where: Base-Base interactions energy: -1395.785 where: short stacking energy: -611.474 Base-Backbone interact. energy: -2.678 local terms energy: -643.232452 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -177.634 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: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1924.385814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.385814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.385814 (E_RNA) where: Base-Base interactions energy: -1274.067 where: short stacking energy: -547.194 Base-Backbone interact. energy: -1.026 local terms energy: -649.293163 where: bonds (distance) C4'-P energy: -129.581 bonds (distance) P-C4' energy: -149.184 flat angles C4'-P-C4' energy: -131.106 flat angles P-C4'-P energy: -87.325 tors. eta vs tors. theta energy: -152.097 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: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1674.267501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.267501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.267501 (E_RNA) where: Base-Base interactions energy: -1078.765 where: short stacking energy: -518.334 Base-Backbone interact. energy: -1.432 local terms energy: -594.070573 where: bonds (distance) C4'-P energy: -128.495 bonds (distance) P-C4' energy: -107.481 flat angles C4'-P-C4' energy: -136.783 flat angles P-C4'-P energy: -83.664 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1556.228344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.228344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.228344 (E_RNA) where: Base-Base interactions energy: -1010.365 where: short stacking energy: -448.571 Base-Backbone interact. energy: -1.734 local terms energy: -544.129095 where: bonds (distance) C4'-P energy: -113.991 bonds (distance) P-C4' energy: -119.159 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -110.817 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: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1414.027740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.027740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.027740 (E_RNA) where: Base-Base interactions energy: -898.953 where: short stacking energy: -404.916 Base-Backbone interact. energy: 0.742 local terms energy: -515.816941 where: bonds (distance) C4'-P energy: -94.289 bonds (distance) P-C4' energy: -130.880 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -104.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1148.171014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.171014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.171014 (E_RNA) where: Base-Base interactions energy: -701.183 where: short stacking energy: -311.775 Base-Backbone interact. energy: 0.304 local terms energy: -447.291944 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -108.123 flat angles C4'-P-C4' energy: -104.967 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -54.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -980.783283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.783283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.783283 (E_RNA) where: Base-Base interactions energy: -591.336 where: short stacking energy: -302.071 Base-Backbone interact. energy: 6.291 local terms energy: -395.738642 where: bonds (distance) C4'-P energy: -100.105 bonds (distance) P-C4' energy: -96.993 flat angles C4'-P-C4' energy: -100.476 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -35.077 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: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -600.805673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.805673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.805673 (E_RNA) where: Base-Base interactions energy: -259.694 where: short stacking energy: -178.970 Base-Backbone interact. energy: 2.904 local terms energy: -344.015481 where: bonds (distance) C4'-P energy: -103.603 bonds (distance) P-C4' energy: -109.343 flat angles C4'-P-C4' energy: -91.275 flat angles P-C4'-P energy: -50.432 tors. eta vs tors. theta energy: 10.638 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: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2312.646090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.646090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.646090 (E_RNA) where: Base-Base interactions energy: -1608.298 where: short stacking energy: -644.766 Base-Backbone interact. energy: -2.899 local terms energy: -701.448621 where: bonds (distance) C4'-P energy: -142.124 bonds (distance) P-C4' energy: -130.991 flat angles C4'-P-C4' energy: -151.612 flat angles P-C4'-P energy: -101.317 tors. eta vs tors. theta energy: -175.404 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: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2253.615300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.615300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.615300 (E_RNA) where: Base-Base interactions energy: -1555.417 where: short stacking energy: -678.331 Base-Backbone interact. energy: -2.819 local terms energy: -695.379659 where: bonds (distance) C4'-P energy: -125.703 bonds (distance) P-C4' energy: -117.577 flat angles C4'-P-C4' energy: -152.714 flat angles P-C4'-P energy: -100.037 tors. eta vs tors. theta energy: -199.349 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: 3, replica: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2018.307854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.307854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.307854 (E_RNA) where: Base-Base interactions energy: -1358.274 where: short stacking energy: -597.860 Base-Backbone interact. energy: -2.445 local terms energy: -657.588401 where: bonds (distance) C4'-P energy: -150.506 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -148.032 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -165.197 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: 103 Temperature: 1.050000 Total energy: -1935.848471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.848471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.848471 (E_RNA) where: Base-Base interactions energy: -1319.755 where: short stacking energy: -553.149 Base-Backbone interact. energy: 2.478 local terms energy: -618.571729 where: bonds (distance) C4'-P energy: -120.209 bonds (distance) P-C4' energy: -126.172 flat angles C4'-P-C4' energy: -124.136 flat angles P-C4'-P energy: -95.039 tors. eta vs tors. theta energy: -153.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1682.214307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.214307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.214307 (E_RNA) where: Base-Base interactions energy: -1103.185 where: short stacking energy: -534.966 Base-Backbone interact. energy: 0.435 local terms energy: -579.464662 where: bonds (distance) C4'-P energy: -102.966 bonds (distance) P-C4' energy: -131.161 flat angles C4'-P-C4' energy: -133.696 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -140.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1548.698863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.698863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.698863 (E_RNA) where: Base-Base interactions energy: -1000.069 where: short stacking energy: -439.909 Base-Backbone interact. energy: -3.136 local terms energy: -545.494363 where: bonds (distance) C4'-P energy: -119.206 bonds (distance) P-C4' energy: -132.545 flat angles C4'-P-C4' energy: -120.609 flat angles P-C4'-P energy: -74.246 tors. eta vs tors. theta energy: -98.889 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: 7, replica: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1412.443112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.443112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.443112 (E_RNA) where: Base-Base interactions energy: -901.970 where: short stacking energy: -409.579 Base-Backbone interact. energy: -1.294 local terms energy: -509.179578 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -102.662 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -76.795 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1221.884345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.884345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.884345 (E_RNA) where: Base-Base interactions energy: -737.613 where: short stacking energy: -356.267 Base-Backbone interact. energy: 8.629 local terms energy: -492.900631 where: bonds (distance) C4'-P energy: -112.587 bonds (distance) P-C4' energy: -122.242 flat angles C4'-P-C4' energy: -114.976 flat angles P-C4'-P energy: -70.746 tors. eta vs tors. theta energy: -72.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -999.325063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.325063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.325063 (E_RNA) where: Base-Base interactions energy: -572.754 where: short stacking energy: -260.645 Base-Backbone interact. energy: 2.468 local terms energy: -429.038851 where: bonds (distance) C4'-P energy: -121.845 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -54.601 tors. eta vs tors. theta energy: -37.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -656.473966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.473966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.473966 (E_RNA) where: Base-Base interactions energy: -320.513 where: short stacking energy: -192.410 Base-Backbone interact. energy: 3.141 local terms energy: -339.101625 where: bonds (distance) C4'-P energy: -100.936 bonds (distance) P-C4' energy: -118.246 flat angles C4'-P-C4' energy: -83.014 flat angles P-C4'-P energy: -36.129 tors. eta vs tors. theta energy: -0.778 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: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2289.600705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.600705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.600705 (E_RNA) where: Base-Base interactions energy: -1607.402 where: short stacking energy: -652.048 Base-Backbone interact. energy: -3.653 local terms energy: -678.545060 where: bonds (distance) C4'-P energy: -128.055 bonds (distance) P-C4' energy: -132.349 flat angles C4'-P-C4' energy: -148.366 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -179.859 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: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2199.867988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.867988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.867988 (E_RNA) where: Base-Base interactions energy: -1494.192 where: short stacking energy: -645.928 Base-Backbone interact. energy: 2.599 local terms energy: -708.274576 where: bonds (distance) C4'-P energy: -129.999 bonds (distance) P-C4' energy: -125.211 flat angles C4'-P-C4' energy: -151.389 flat angles P-C4'-P energy: -111.238 tors. eta vs tors. theta energy: -190.437 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: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2020.934888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.934888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.934888 (E_RNA) where: Base-Base interactions energy: -1352.694 where: short stacking energy: -613.739 Base-Backbone interact. energy: -1.892 local terms energy: -666.348832 where: bonds (distance) C4'-P energy: -128.546 bonds (distance) P-C4' energy: -120.014 flat angles C4'-P-C4' energy: -147.462 flat angles P-C4'-P energy: -97.733 tors. eta vs tors. theta energy: -172.594 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: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1902.267565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.267565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.267565 (E_RNA) where: Base-Base interactions energy: -1261.065 where: short stacking energy: -540.512 Base-Backbone interact. energy: -2.222 local terms energy: -638.980040 where: bonds (distance) C4'-P energy: -115.133 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -135.693 flat angles P-C4'-P energy: -98.134 tors. eta vs tors. theta energy: -155.010 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: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1665.673668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.673668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.673668 (E_RNA) where: Base-Base interactions energy: -1074.833 where: short stacking energy: -497.313 Base-Backbone interact. energy: -4.234 local terms energy: -586.605842 where: bonds (distance) C4'-P energy: -124.666 bonds (distance) P-C4' energy: -111.164 flat angles C4'-P-C4' energy: -121.936 flat angles P-C4'-P energy: -83.594 tors. eta vs tors. theta energy: -145.246 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: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1513.033468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.033468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.033468 (E_RNA) where: Base-Base interactions energy: -988.254 where: short stacking energy: -464.899 Base-Backbone interact. energy: 1.483 local terms energy: -526.263092 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -114.100 flat angles C4'-P-C4' energy: -120.544 flat angles P-C4'-P energy: -68.340 tors. eta vs tors. theta energy: -109.195 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: 7, replica: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1464.260132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.260132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.260132 (E_RNA) where: Base-Base interactions energy: -953.101 where: short stacking energy: -450.492 Base-Backbone interact. energy: 6.033 local terms energy: -517.191681 where: bonds (distance) C4'-P energy: -111.301 bonds (distance) P-C4' energy: -128.879 flat angles C4'-P-C4' energy: -102.015 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -97.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1206.713485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.713485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.713485 (E_RNA) where: Base-Base interactions energy: -730.680 where: short stacking energy: -354.391 Base-Backbone interact. energy: 2.815 local terms energy: -478.848645 where: bonds (distance) C4'-P energy: -109.900 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: -72.397 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: 6 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -971.139211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.139211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.139211 (E_RNA) where: Base-Base interactions energy: -568.216 where: short stacking energy: -259.477 Base-Backbone interact. energy: -0.803 local terms energy: -402.120913 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -121.740 flat angles C4'-P-C4' energy: -94.538 flat angles P-C4'-P energy: -51.167 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: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -656.371197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.371197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.371197 (E_RNA) where: Base-Base interactions energy: -264.021 where: short stacking energy: -179.210 Base-Backbone interact. energy: -2.350 local terms energy: -389.999951 where: bonds (distance) C4'-P energy: -116.230 bonds (distance) P-C4' energy: -126.285 flat angles C4'-P-C4' energy: -106.895 flat angles P-C4'-P energy: -44.356 tors. eta vs tors. theta energy: 3.767 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: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2277.977479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.977479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.977479 (E_RNA) where: Base-Base interactions energy: -1586.428 where: short stacking energy: -638.945 Base-Backbone interact. energy: -6.984 local terms energy: -684.565757 where: bonds (distance) C4'-P energy: -135.610 bonds (distance) P-C4' energy: -131.215 flat angles C4'-P-C4' energy: -149.062 flat angles P-C4'-P energy: -86.000 tors. eta vs tors. theta energy: -182.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2221.769284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.769284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.769284 (E_RNA) where: Base-Base interactions energy: -1517.845 where: short stacking energy: -633.152 Base-Backbone interact. energy: -5.007 local terms energy: -698.917601 where: bonds (distance) C4'-P energy: -124.716 bonds (distance) P-C4' energy: -116.329 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -111.025 tors. eta vs tors. theta energy: -195.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2033.801300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.801300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.801300 (E_RNA) where: Base-Base interactions energy: -1349.538 where: short stacking energy: -625.871 Base-Backbone interact. energy: -0.824 local terms energy: -683.438743 where: bonds (distance) C4'-P energy: -124.446 bonds (distance) P-C4' energy: -137.083 flat angles C4'-P-C4' energy: -153.657 flat angles P-C4'-P energy: -83.240 tors. eta vs tors. theta energy: -185.012 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: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1938.364695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.364695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.364695 (E_RNA) where: Base-Base interactions energy: -1330.953 where: short stacking energy: -571.163 Base-Backbone interact. energy: -1.264 local terms energy: -606.147114 where: bonds (distance) C4'-P energy: -113.832 bonds (distance) P-C4' energy: -115.890 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -81.304 tors. eta vs tors. theta energy: -160.392 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: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1657.099139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.099139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.099139 (E_RNA) where: Base-Base interactions energy: -1071.041 where: short stacking energy: -487.201 Base-Backbone interact. energy: 0.015 local terms energy: -586.073071 where: bonds (distance) C4'-P energy: -116.090 bonds (distance) P-C4' energy: -121.932 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -86.653 tors. eta vs tors. theta energy: -134.030 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: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1555.475107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.475107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.475107 (E_RNA) where: Base-Base interactions energy: -1002.032 where: short stacking energy: -477.097 Base-Backbone interact. energy: 0.030 local terms energy: -553.473361 where: bonds (distance) C4'-P energy: -108.390 bonds (distance) P-C4' energy: -109.050 flat angles C4'-P-C4' energy: -127.538 flat angles P-C4'-P energy: -83.101 tors. eta vs tors. theta energy: -125.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1406.847014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.847014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.847014 (E_RNA) where: Base-Base interactions energy: -901.240 where: short stacking energy: -410.456 Base-Backbone interact. energy: -4.063 local terms energy: -501.544212 where: bonds (distance) C4'-P energy: -98.095 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -116.071 flat angles P-C4'-P energy: -73.180 tors. eta vs tors. theta energy: -96.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1173.172209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.172209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.172209 (E_RNA) where: Base-Base interactions energy: -665.724 where: short stacking energy: -333.890 Base-Backbone interact. energy: 0.414 local terms energy: -507.862109 where: bonds (distance) C4'-P energy: -116.874 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -69.407 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: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -962.621192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.621192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.621192 (E_RNA) where: Base-Base interactions energy: -550.109 where: short stacking energy: -273.815 Base-Backbone interact. energy: -2.296 local terms energy: -410.215776 where: bonds (distance) C4'-P energy: -95.397 bonds (distance) P-C4' energy: -112.909 flat angles C4'-P-C4' energy: -94.090 flat angles P-C4'-P energy: -77.511 tors. eta vs tors. theta energy: -30.309 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: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -617.690829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.690829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.690829 (E_RNA) where: Base-Base interactions energy: -256.298 where: short stacking energy: -174.979 Base-Backbone interact. energy: -2.663 local terms energy: -358.729818 where: bonds (distance) C4'-P energy: -83.406 bonds (distance) P-C4' energy: -121.662 flat angles C4'-P-C4' energy: -87.493 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: 10.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2304.204672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.204672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.204672 (E_RNA) where: Base-Base interactions energy: -1607.321 where: short stacking energy: -643.292 Base-Backbone interact. energy: -5.787 local terms energy: -691.096908 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -146.730 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -88.125 tors. eta vs tors. theta energy: -173.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2206.771071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.771071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.771071 (E_RNA) where: Base-Base interactions energy: -1515.862 where: short stacking energy: -646.508 Base-Backbone interact. energy: -5.029 local terms energy: -685.880461 where: bonds (distance) C4'-P energy: -126.643 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -164.124 flat angles P-C4'-P energy: -97.061 tors. eta vs tors. theta energy: -189.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1988.613944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.613944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.613944 (E_RNA) where: Base-Base interactions energy: -1329.915 where: short stacking energy: -577.946 Base-Backbone interact. energy: -2.525 local terms energy: -656.173921 where: bonds (distance) C4'-P energy: -132.765 bonds (distance) P-C4' energy: -137.163 flat angles C4'-P-C4' energy: -131.614 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -161.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1943.814052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.814052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.814052 (E_RNA) where: Base-Base interactions energy: -1300.672 where: short stacking energy: -566.421 Base-Backbone interact. energy: -4.638 local terms energy: -638.504266 where: bonds (distance) C4'-P energy: -120.093 bonds (distance) P-C4' energy: -112.863 flat angles C4'-P-C4' energy: -153.802 flat angles P-C4'-P energy: -81.902 tors. eta vs tors. theta energy: -169.845 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: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1651.078121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.078121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.078121 (E_RNA) where: Base-Base interactions energy: -1103.073 where: short stacking energy: -491.208 Base-Backbone interact. energy: -4.994 local terms energy: -543.010915 where: bonds (distance) C4'-P energy: -105.330 bonds (distance) P-C4' energy: -114.494 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -83.406 tors. eta vs tors. theta energy: -107.445 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: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1611.817121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.817121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.817121 (E_RNA) where: Base-Base interactions energy: -1032.752 where: short stacking energy: -452.944 Base-Backbone interact. energy: 0.860 local terms energy: -579.925031 where: bonds (distance) C4'-P energy: -122.793 bonds (distance) P-C4' energy: -131.582 flat angles C4'-P-C4' energy: -125.508 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -116.248 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: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1340.970898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.970898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.970898 (E_RNA) where: Base-Base interactions energy: -838.942 where: short stacking energy: -373.933 Base-Backbone interact. energy: 0.843 local terms energy: -502.871333 where: bonds (distance) C4'-P energy: -111.424 bonds (distance) P-C4' energy: -117.750 flat angles C4'-P-C4' energy: -121.899 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -76.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1245.028882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.028882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.028882 (E_RNA) where: Base-Base interactions energy: -768.422 where: short stacking energy: -347.959 Base-Backbone interact. energy: -2.083 local terms energy: -474.523947 where: bonds (distance) C4'-P energy: -111.402 bonds (distance) P-C4' energy: -118.959 flat angles C4'-P-C4' energy: -124.303 flat angles P-C4'-P energy: -68.760 tors. eta vs tors. theta energy: -51.101 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: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -909.880711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.880711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.880711 (E_RNA) where: Base-Base interactions energy: -507.910 where: short stacking energy: -253.915 Base-Backbone interact. energy: 5.262 local terms energy: -407.232971 where: bonds (distance) C4'-P energy: -95.084 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -73.661 tors. eta vs tors. theta energy: -32.138 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: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -621.457302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.457302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.457302 (E_RNA) where: Base-Base interactions energy: -261.973 where: short stacking energy: -172.019 Base-Backbone interact. energy: -0.526 local terms energy: -358.958321 where: bonds (distance) C4'-P energy: -108.207 bonds (distance) P-C4' energy: -109.346 flat angles C4'-P-C4' energy: -70.936 flat angles P-C4'-P energy: -65.924 tors. eta vs tors. theta energy: -4.546 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: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2280.335486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.335486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.335486 (E_RNA) where: Base-Base interactions energy: -1571.171 where: short stacking energy: -644.785 Base-Backbone interact. energy: -2.780 local terms energy: -706.383757 where: bonds (distance) C4'-P energy: -133.608 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -153.547 flat angles P-C4'-P energy: -103.588 tors. eta vs tors. theta energy: -179.978 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: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2235.613375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.613375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.613375 (E_RNA) where: Base-Base interactions energy: -1538.589 where: short stacking energy: -684.327 Base-Backbone interact. energy: -1.837 local terms energy: -695.187033 where: bonds (distance) C4'-P energy: -106.897 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -151.678 flat angles P-C4'-P energy: -96.038 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: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2007.755936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.755936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.755936 (E_RNA) where: Base-Base interactions energy: -1373.359 where: short stacking energy: -581.353 Base-Backbone interact. energy: -0.843 local terms energy: -633.553943 where: bonds (distance) C4'-P energy: -104.217 bonds (distance) P-C4' energy: -126.229 flat angles C4'-P-C4' energy: -139.832 flat angles P-C4'-P energy: -104.024 tors. eta vs tors. theta energy: -159.251 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: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1942.874135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.874135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.874135 (E_RNA) where: Base-Base interactions energy: -1317.663 where: short stacking energy: -592.777 Base-Backbone interact. energy: -1.325 local terms energy: -623.886211 where: bonds (distance) C4'-P energy: -123.972 bonds (distance) P-C4' energy: -120.988 flat angles C4'-P-C4' energy: -136.087 flat angles P-C4'-P energy: -92.150 tors. eta vs tors. theta energy: -150.690 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: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1683.579076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.579076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.579076 (E_RNA) where: Base-Base interactions energy: -1106.017 where: short stacking energy: -483.608 Base-Backbone interact. energy: -2.342 local terms energy: -575.219324 where: bonds (distance) C4'-P energy: -110.546 bonds (distance) P-C4' energy: -127.877 flat angles C4'-P-C4' energy: -131.142 flat angles P-C4'-P energy: -95.081 tors. eta vs tors. theta energy: -110.573 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: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1536.032476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.032476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.032476 (E_RNA) where: Base-Base interactions energy: -979.419 where: short stacking energy: -467.318 Base-Backbone interact. energy: -0.814 local terms energy: -555.799692 where: bonds (distance) C4'-P energy: -114.241 bonds (distance) P-C4' energy: -122.348 flat angles C4'-P-C4' energy: -126.931 flat angles P-C4'-P energy: -75.730 tors. eta vs tors. theta energy: -116.550 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: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1427.329033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.329033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.329033 (E_RNA) where: Base-Base interactions energy: -908.885 where: short stacking energy: -417.392 Base-Backbone interact. energy: -4.743 local terms energy: -513.700995 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -113.131 flat angles C4'-P-C4' energy: -126.727 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -87.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1192.854396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.854396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.854396 (E_RNA) where: Base-Base interactions energy: -756.286 where: short stacking energy: -356.645 Base-Backbone interact. energy: 1.405 local terms energy: -437.973810 where: bonds (distance) C4'-P energy: -94.240 bonds (distance) P-C4' energy: -116.932 flat angles C4'-P-C4' energy: -93.053 flat angles P-C4'-P energy: -59.756 tors. eta vs tors. theta energy: -73.993 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: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -964.740672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.740672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.740672 (E_RNA) where: Base-Base interactions energy: -511.341 where: short stacking energy: -264.004 Base-Backbone interact. energy: -0.780 local terms energy: -452.619809 where: bonds (distance) C4'-P energy: -116.887 bonds (distance) P-C4' energy: -106.552 flat angles C4'-P-C4' energy: -120.179 flat angles P-C4'-P energy: -77.358 tors. eta vs tors. theta energy: -31.645 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: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -565.962560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.962560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.962560 (E_RNA) where: Base-Base interactions energy: -255.779 where: short stacking energy: -173.666 Base-Backbone interact. energy: -0.155 local terms energy: -310.028886 where: bonds (distance) C4'-P energy: -104.856 bonds (distance) P-C4' energy: -90.009 flat angles C4'-P-C4' energy: -86.242 flat angles P-C4'-P energy: -41.096 tors. eta vs tors. theta energy: 12.174 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: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2285.507555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.507555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.507555 (E_RNA) where: Base-Base interactions energy: -1590.631 where: short stacking energy: -654.119 Base-Backbone interact. energy: -3.970 local terms energy: -690.906157 where: bonds (distance) C4'-P energy: -136.191 bonds (distance) P-C4' energy: -137.532 flat angles C4'-P-C4' energy: -145.827 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -176.981 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: 108 Temperature: 0.950000 Total energy: -2219.032675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.032675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.032675 (E_RNA) where: Base-Base interactions energy: -1512.861 where: short stacking energy: -635.107 Base-Backbone interact. energy: 0.974 local terms energy: -707.145758 where: bonds (distance) C4'-P energy: -122.019 bonds (distance) P-C4' energy: -133.161 flat angles C4'-P-C4' energy: -148.597 flat angles P-C4'-P energy: -106.822 tors. eta vs tors. theta energy: -196.546 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: 3, replica: 8 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2041.806940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.806940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.806940 (E_RNA) where: Base-Base interactions energy: -1333.198 where: short stacking energy: -612.804 Base-Backbone interact. energy: -1.317 local terms energy: -707.292414 where: bonds (distance) C4'-P energy: -130.999 bonds (distance) P-C4' energy: -138.783 flat angles C4'-P-C4' energy: -142.452 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -189.097 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: 4, replica: 3 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1897.539882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.539882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.539882 (E_RNA) where: Base-Base interactions energy: -1251.281 where: short stacking energy: -546.411 Base-Backbone interact. energy: 0.820 local terms energy: -647.079486 where: bonds (distance) C4'-P energy: -125.767 bonds (distance) P-C4' energy: -125.149 flat angles C4'-P-C4' energy: -144.418 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -166.787 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: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1645.304880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.304880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.304880 (E_RNA) where: Base-Base interactions energy: -1090.083 where: short stacking energy: -475.297 Base-Backbone interact. energy: 0.664 local terms energy: -555.886110 where: bonds (distance) C4'-P energy: -130.347 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -133.526 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -119.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1545.812759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.812759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.812759 (E_RNA) where: Base-Base interactions energy: -975.796 where: short stacking energy: -454.975 Base-Backbone interact. energy: 0.173 local terms energy: -570.189410 where: bonds (distance) C4'-P energy: -116.233 bonds (distance) P-C4' energy: -123.990 flat angles C4'-P-C4' energy: -132.634 flat angles P-C4'-P energy: -82.148 tors. eta vs tors. theta energy: -115.183 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: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1440.040372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.040372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.040372 (E_RNA) where: Base-Base interactions energy: -906.428 where: short stacking energy: -428.050 Base-Backbone interact. energy: -3.238 local terms energy: -530.374422 where: bonds (distance) C4'-P energy: -99.404 bonds (distance) P-C4' energy: -125.070 flat angles C4'-P-C4' energy: -122.510 flat angles P-C4'-P energy: -74.126 tors. eta vs tors. theta energy: -109.264 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: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1210.407605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.407605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.407605 (E_RNA) where: Base-Base interactions energy: -775.115 where: short stacking energy: -362.404 Base-Backbone interact. energy: 1.119 local terms energy: -436.411730 where: bonds (distance) C4'-P energy: -105.477 bonds (distance) P-C4' energy: -107.130 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -60.039 tors. eta vs tors. theta energy: -51.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -917.948176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.948176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.948176 (E_RNA) where: Base-Base interactions energy: -515.026 where: short stacking energy: -271.062 Base-Backbone interact. energy: -0.293 local terms energy: -402.629523 where: bonds (distance) C4'-P energy: -85.380 bonds (distance) P-C4' energy: -99.593 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -75.476 tors. eta vs tors. theta energy: -23.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -627.052634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.052634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.052634 (E_RNA) where: Base-Base interactions energy: -290.741 where: short stacking energy: -214.257 Base-Backbone interact. energy: 4.273 local terms energy: -340.583817 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -107.649 flat angles C4'-P-C4' energy: -100.827 flat angles P-C4'-P energy: -57.174 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2265.332966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.332966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.332966 (E_RNA) where: Base-Base interactions energy: -1564.111 where: short stacking energy: -648.635 Base-Backbone interact. energy: -4.191 local terms energy: -697.030943 where: bonds (distance) C4'-P energy: -134.862 bonds (distance) P-C4' energy: -125.729 flat angles C4'-P-C4' energy: -155.117 flat angles P-C4'-P energy: -100.640 tors. eta vs tors. theta energy: -180.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2192.751212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.751212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.751212 (E_RNA) where: Base-Base interactions energy: -1494.260 where: short stacking energy: -636.228 Base-Backbone interact. energy: -1.834 local terms energy: -696.657037 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -129.007 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -94.379 tors. eta vs tors. theta energy: -190.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2041.000317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.000317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.000317 (E_RNA) where: Base-Base interactions energy: -1401.339 where: short stacking energy: -633.623 Base-Backbone interact. energy: -0.677 local terms energy: -638.983955 where: bonds (distance) C4'-P energy: -123.495 bonds (distance) P-C4' energy: -127.668 flat angles C4'-P-C4' energy: -138.583 flat angles P-C4'-P energy: -80.244 tors. eta vs tors. theta energy: -168.994 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: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1917.047088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.047088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.047088 (E_RNA) where: Base-Base interactions energy: -1305.276 where: short stacking energy: -597.994 Base-Backbone interact. energy: -0.334 local terms energy: -611.436738 where: bonds (distance) C4'-P energy: -108.553 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -127.836 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -160.459 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: 5, replica: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1751.255537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.255537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.255537 (E_RNA) where: Base-Base interactions energy: -1154.201 where: short stacking energy: -470.448 Base-Backbone interact. energy: 0.395 local terms energy: -597.450069 where: bonds (distance) C4'-P energy: -130.346 bonds (distance) P-C4' energy: -134.032 flat angles C4'-P-C4' energy: -139.482 flat angles P-C4'-P energy: -80.294 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: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1526.758100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.758100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.758100 (E_RNA) where: Base-Base interactions energy: -990.386 where: short stacking energy: -452.651 Base-Backbone interact. energy: -2.342 local terms energy: -534.029544 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -125.208 flat angles C4'-P-C4' energy: -112.046 flat angles P-C4'-P energy: -88.869 tors. eta vs tors. theta energy: -89.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1443.565198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.565198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.565198 (E_RNA) where: Base-Base interactions energy: -903.469 where: short stacking energy: -404.494 Base-Backbone interact. energy: 1.758 local terms energy: -541.854217 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -126.305 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: -110.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1276.343050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.343050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.343050 (E_RNA) where: Base-Base interactions energy: -853.156 where: short stacking energy: -382.857 Base-Backbone interact. energy: 0.037 local terms energy: -423.224503 where: bonds (distance) C4'-P energy: -92.454 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -87.518 flat angles P-C4'-P energy: -77.888 tors. eta vs tors. theta energy: -71.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -898.690549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.690549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.690549 (E_RNA) where: Base-Base interactions energy: -506.705 where: short stacking energy: -285.072 Base-Backbone interact. energy: 2.002 local terms energy: -393.987251 where: bonds (distance) C4'-P energy: -102.951 bonds (distance) P-C4' energy: -102.736 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -28.667 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: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -612.519158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.519158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.519158 (E_RNA) where: Base-Base interactions energy: -238.886 where: short stacking energy: -143.600 Base-Backbone interact. energy: -1.363 local terms energy: -372.270256 where: bonds (distance) C4'-P energy: -101.262 bonds (distance) P-C4' energy: -127.140 flat angles C4'-P-C4' energy: -97.434 flat angles P-C4'-P energy: -53.397 tors. eta vs tors. theta energy: 6.963 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: 1, replica: 10 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2273.764589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.764589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.764589 (E_RNA) where: Base-Base interactions energy: -1559.930 where: short stacking energy: -660.167 Base-Backbone interact. energy: -1.261 local terms energy: -712.574382 where: bonds (distance) C4'-P energy: -120.747 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -152.909 flat angles P-C4'-P energy: -108.205 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: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2185.146237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.146237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.146237 (E_RNA) where: Base-Base interactions energy: -1532.134 where: short stacking energy: -619.229 Base-Backbone interact. energy: -3.051 local terms energy: -649.961042 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -128.145 flat angles C4'-P-C4' energy: -146.238 flat angles P-C4'-P energy: -84.416 tors. eta vs tors. theta energy: -158.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2059.832583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.832583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.832583 (E_RNA) where: Base-Base interactions energy: -1403.106 where: short stacking energy: -622.876 Base-Backbone interact. energy: -0.857 local terms energy: -655.869190 where: bonds (distance) C4'-P energy: -113.649 bonds (distance) P-C4' energy: -124.184 flat angles C4'-P-C4' energy: -149.599 flat angles P-C4'-P energy: -102.984 tors. eta vs tors. theta energy: -165.454 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: 4, replica: 3 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1910.100675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.100675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.100675 (E_RNA) where: Base-Base interactions energy: -1294.263 where: short stacking energy: -558.069 Base-Backbone interact. energy: 1.152 local terms energy: -616.989712 where: bonds (distance) C4'-P energy: -123.236 bonds (distance) P-C4' energy: -112.292 flat angles C4'-P-C4' energy: -143.510 flat angles P-C4'-P energy: -93.114 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: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1760.905202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.905202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.905202 (E_RNA) where: Base-Base interactions energy: -1172.770 where: short stacking energy: -499.109 Base-Backbone interact. energy: -2.695 local terms energy: -585.440509 where: bonds (distance) C4'-P energy: -125.272 bonds (distance) P-C4' energy: -119.396 flat angles C4'-P-C4' energy: -128.859 flat angles P-C4'-P energy: -83.749 tors. eta vs tors. theta energy: -128.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1584.064115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.064115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.064115 (E_RNA) where: Base-Base interactions energy: -1003.067 where: short stacking energy: -483.878 Base-Backbone interact. energy: 0.173 local terms energy: -581.170298 where: bonds (distance) C4'-P energy: -125.538 bonds (distance) P-C4' energy: -121.046 flat angles C4'-P-C4' energy: -127.975 flat angles P-C4'-P energy: -73.586 tors. eta vs tors. theta energy: -133.026 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: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1349.071276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.071276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.071276 (E_RNA) where: Base-Base interactions energy: -841.910 where: short stacking energy: -379.022 Base-Backbone interact. energy: -3.070 local terms energy: -504.091245 where: bonds (distance) C4'-P energy: -101.150 bonds (distance) P-C4' energy: -128.012 flat angles C4'-P-C4' energy: -123.039 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -86.195 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: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1210.274134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.274134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.274134 (E_RNA) where: Base-Base interactions energy: -755.598 where: short stacking energy: -370.875 Base-Backbone interact. energy: -1.054 local terms energy: -453.621710 where: bonds (distance) C4'-P energy: -125.994 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -94.992 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: -60.707 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: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -820.768766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.768766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.768766 (E_RNA) where: Base-Base interactions energy: -444.309 where: short stacking energy: -243.287 Base-Backbone interact. energy: 4.228 local terms energy: -380.687943 where: bonds (distance) C4'-P energy: -114.985 bonds (distance) P-C4' energy: -114.756 flat angles C4'-P-C4' energy: -104.124 flat angles P-C4'-P energy: -46.643 tors. eta vs tors. theta energy: -0.181 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: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -556.405158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.405158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.405158 (E_RNA) where: Base-Base interactions energy: -206.070 where: short stacking energy: -162.915 Base-Backbone interact. energy: 1.094 local terms energy: -351.429317 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -122.027 flat angles C4'-P-C4' energy: -82.592 flat angles P-C4'-P energy: -58.026 tors. eta vs tors. theta energy: 28.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2270.925506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.925506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.925506 (E_RNA) where: Base-Base interactions energy: -1569.438 where: short stacking energy: -645.961 Base-Backbone interact. energy: -1.443 local terms energy: -700.044507 where: bonds (distance) C4'-P energy: -138.911 bonds (distance) P-C4' energy: -121.834 flat angles C4'-P-C4' energy: -157.029 flat angles P-C4'-P energy: -88.689 tors. eta vs tors. theta energy: -193.582 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: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2217.301672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.301672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.301672 (E_RNA) where: Base-Base interactions energy: -1552.275 where: short stacking energy: -643.419 Base-Backbone interact. energy: -3.537 local terms energy: -661.490038 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -126.033 flat angles C4'-P-C4' energy: -150.457 flat angles P-C4'-P energy: -100.094 tors. eta vs tors. theta energy: -168.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2068.757933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.757933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.757933 (E_RNA) where: Base-Base interactions energy: -1382.824 where: short stacking energy: -625.341 Base-Backbone interact. energy: -3.369 local terms energy: -682.565204 where: bonds (distance) C4'-P energy: -118.614 bonds (distance) P-C4' energy: -143.509 flat angles C4'-P-C4' energy: -143.907 flat angles P-C4'-P energy: -86.689 tors. eta vs tors. theta energy: -189.847 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: 3 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1905.602906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.602906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.602906 (E_RNA) where: Base-Base interactions energy: -1250.658 where: short stacking energy: -566.275 Base-Backbone interact. energy: -2.749 local terms energy: -652.196406 where: bonds (distance) C4'-P energy: -129.598 bonds (distance) P-C4' energy: -119.477 flat angles C4'-P-C4' energy: -151.054 flat angles P-C4'-P energy: -92.238 tors. eta vs tors. theta energy: -159.830 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: 5, replica: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1746.017875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.017875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.017875 (E_RNA) where: Base-Base interactions energy: -1163.579 where: short stacking energy: -468.660 Base-Backbone interact. energy: 1.016 local terms energy: -583.454886 where: bonds (distance) C4'-P energy: -139.505 bonds (distance) P-C4' energy: -133.589 flat angles C4'-P-C4' energy: -125.592 flat angles P-C4'-P energy: -73.473 tors. eta vs tors. theta energy: -111.296 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: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1584.767872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.767872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.767872 (E_RNA) where: Base-Base interactions energy: -1042.714 where: short stacking energy: -489.736 Base-Backbone interact. energy: 0.513 local terms energy: -542.566763 where: bonds (distance) C4'-P energy: -122.964 bonds (distance) P-C4' energy: -106.743 flat angles C4'-P-C4' energy: -122.406 flat angles P-C4'-P energy: -74.118 tors. eta vs tors. theta energy: -116.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1366.252745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.252745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.252745 (E_RNA) where: Base-Base interactions energy: -823.397 where: short stacking energy: -404.151 Base-Backbone interact. energy: -0.549 local terms energy: -542.306479 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -117.071 flat angles C4'-P-C4' energy: -125.777 flat angles P-C4'-P energy: -82.083 tors. eta vs tors. theta energy: -104.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1300.696144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.696144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.696144 (E_RNA) where: Base-Base interactions energy: -839.512 where: short stacking energy: -394.832 Base-Backbone interact. energy: 2.028 local terms energy: -463.211662 where: bonds (distance) C4'-P energy: -101.429 bonds (distance) P-C4' energy: -112.440 flat angles C4'-P-C4' energy: -101.621 flat angles P-C4'-P energy: -54.874 tors. eta vs tors. theta energy: -92.848 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: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -804.203097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.203097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.203097 (E_RNA) where: Base-Base interactions energy: -445.713 where: short stacking energy: -256.094 Base-Backbone interact. energy: 4.540 local terms energy: -363.029579 where: bonds (distance) C4'-P energy: -107.364 bonds (distance) P-C4' energy: -104.470 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -47.911 tors. eta vs tors. theta energy: -21.810 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: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -598.552797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.552797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.552797 (E_RNA) where: Base-Base interactions energy: -253.251 where: short stacking energy: -196.851 Base-Backbone interact. energy: -0.952 local terms energy: -344.348990 where: bonds (distance) C4'-P energy: -94.613 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -93.518 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: 6.119 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: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2282.227044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.227044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.227044 (E_RNA) where: Base-Base interactions energy: -1549.572 where: short stacking energy: -638.508 Base-Backbone interact. energy: -1.195 local terms energy: -731.459941 where: bonds (distance) C4'-P energy: -143.230 bonds (distance) P-C4' energy: -125.489 flat angles C4'-P-C4' energy: -155.659 flat angles P-C4'-P energy: -107.594 tors. eta vs tors. theta energy: -199.489 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: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2202.310953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.310953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.310953 (E_RNA) where: Base-Base interactions energy: -1529.524 where: short stacking energy: -627.319 Base-Backbone interact. energy: -4.554 local terms energy: -668.232920 where: bonds (distance) C4'-P energy: -123.707 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -153.700 flat angles P-C4'-P energy: -92.077 tors. eta vs tors. theta energy: -167.959 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: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2029.028495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.028495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.028495 (E_RNA) where: Base-Base interactions energy: -1367.387 where: short stacking energy: -623.843 Base-Backbone interact. energy: -0.867 local terms energy: -660.775071 where: bonds (distance) C4'-P energy: -118.755 bonds (distance) P-C4' energy: -123.745 flat angles C4'-P-C4' energy: -136.822 flat angles P-C4'-P energy: -106.039 tors. eta vs tors. theta energy: -175.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1940.586455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.586455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.586455 (E_RNA) where: Base-Base interactions energy: -1288.101 where: short stacking energy: -571.779 Base-Backbone interact. energy: -4.191 local terms energy: -648.294460 where: bonds (distance) C4'-P energy: -120.463 bonds (distance) P-C4' energy: -125.662 flat angles C4'-P-C4' energy: -145.555 flat angles P-C4'-P energy: -93.504 tors. eta vs tors. theta energy: -163.111 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: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1780.572611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.572611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.572611 (E_RNA) where: Base-Base interactions energy: -1185.196 where: short stacking energy: -503.390 Base-Backbone interact. energy: 0.091 local terms energy: -595.468556 where: bonds (distance) C4'-P energy: -112.166 bonds (distance) P-C4' energy: -126.778 flat angles C4'-P-C4' energy: -131.428 flat angles P-C4'-P energy: -98.326 tors. eta vs tors. theta energy: -126.771 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: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1644.918392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.918392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.918392 (E_RNA) where: Base-Base interactions energy: -1073.358 where: short stacking energy: -456.550 Base-Backbone interact. energy: -1.748 local terms energy: -569.812232 where: bonds (distance) C4'-P energy: -117.786 bonds (distance) P-C4' energy: -105.206 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -85.698 tors. eta vs tors. theta energy: -125.323 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: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1366.219951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.219951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.219951 (E_RNA) where: Base-Base interactions energy: -882.774 where: short stacking energy: -433.428 Base-Backbone interact. energy: 0.907 local terms energy: -484.353459 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -109.285 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -71.543 tors. eta vs tors. theta energy: -100.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1370.284713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.284713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.284713 (E_RNA) where: Base-Base interactions energy: -868.676 where: short stacking energy: -394.887 Base-Backbone interact. energy: -1.438 local terms energy: -500.170423 where: bonds (distance) C4'-P energy: -110.858 bonds (distance) P-C4' energy: -127.613 flat angles C4'-P-C4' energy: -105.574 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -79.860 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: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -872.926312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.926312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.926312 (E_RNA) where: Base-Base interactions energy: -454.776 where: short stacking energy: -256.739 Base-Backbone interact. energy: -0.150 local terms energy: -417.999969 where: bonds (distance) C4'-P energy: -115.318 bonds (distance) P-C4' energy: -115.324 flat angles C4'-P-C4' energy: -108.576 flat angles P-C4'-P energy: -56.042 tors. eta vs tors. theta energy: -22.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -582.126705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.126705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.126705 (E_RNA) where: Base-Base interactions energy: -260.343 where: short stacking energy: -171.989 Base-Backbone interact. energy: 4.153 local terms energy: -325.936084 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -93.803 flat angles C4'-P-C4' energy: -80.504 flat angles P-C4'-P energy: -56.557 tors. eta vs tors. theta energy: 8.558 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: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2278.296298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.296298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.296298 (E_RNA) where: Base-Base interactions energy: -1546.240 where: short stacking energy: -660.737 Base-Backbone interact. energy: 0.458 local terms energy: -732.514363 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -155.124 flat angles P-C4'-P energy: -103.824 tors. eta vs tors. theta energy: -192.721 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: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2161.913372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.913372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.913372 (E_RNA) where: Base-Base interactions energy: -1497.938 where: short stacking energy: -612.205 Base-Backbone interact. energy: -2.974 local terms energy: -661.001432 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -144.084 flat angles C4'-P-C4' energy: -148.761 flat angles P-C4'-P energy: -76.958 tors. eta vs tors. theta energy: -165.412 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: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2057.558302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.558302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.558302 (E_RNA) where: Base-Base interactions energy: -1402.671 where: short stacking energy: -631.333 Base-Backbone interact. energy: -3.508 local terms energy: -651.379581 where: bonds (distance) C4'-P energy: -124.675 bonds (distance) P-C4' energy: -113.939 flat angles C4'-P-C4' energy: -141.730 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -179.588 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: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1923.384361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.384361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.384361 (E_RNA) where: Base-Base interactions energy: -1263.900 where: short stacking energy: -560.703 Base-Backbone interact. energy: 0.331 local terms energy: -659.815359 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -141.554 flat angles C4'-P-C4' energy: -147.574 flat angles P-C4'-P energy: -89.012 tors. eta vs tors. theta energy: -167.495 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: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1785.840199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.840199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.840199 (E_RNA) where: Base-Base interactions energy: -1181.436 where: short stacking energy: -521.090 Base-Backbone interact. energy: -4.541 local terms energy: -599.863362 where: bonds (distance) C4'-P energy: -101.935 bonds (distance) P-C4' energy: -123.187 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -133.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1564.270181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.270181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.270181 (E_RNA) where: Base-Base interactions energy: -1020.007 where: short stacking energy: -488.012 Base-Backbone interact. energy: 0.191 local terms energy: -544.454194 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -104.865 flat angles C4'-P-C4' energy: -118.159 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -118.603 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: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1333.286612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.286612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.286612 (E_RNA) where: Base-Base interactions energy: -788.804 where: short stacking energy: -366.071 Base-Backbone interact. energy: -2.961 local terms energy: -541.520859 where: bonds (distance) C4'-P energy: -127.692 bonds (distance) P-C4' energy: -106.811 flat angles C4'-P-C4' energy: -126.507 flat angles P-C4'-P energy: -91.648 tors. eta vs tors. theta energy: -88.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1364.539726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.539726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.539726 (E_RNA) where: Base-Base interactions energy: -871.350 where: short stacking energy: -390.452 Base-Backbone interact. energy: -3.296 local terms energy: -489.894379 where: bonds (distance) C4'-P energy: -115.019 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -135.541 flat angles P-C4'-P energy: -62.690 tors. eta vs tors. theta energy: -79.832 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: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -870.749104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.749104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.749104 (E_RNA) where: Base-Base interactions energy: -503.325 where: short stacking energy: -246.007 Base-Backbone interact. energy: -1.344 local terms energy: -366.079943 where: bonds (distance) C4'-P energy: -95.195 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -82.873 flat angles P-C4'-P energy: -42.595 tors. eta vs tors. theta energy: -19.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -591.551411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.551411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.551411 (E_RNA) where: Base-Base interactions energy: -239.261 where: short stacking energy: -169.365 Base-Backbone interact. energy: -1.358 local terms energy: -350.932689 where: bonds (distance) C4'-P energy: -107.955 bonds (distance) P-C4' energy: -96.995 flat angles C4'-P-C4' energy: -83.620 flat angles P-C4'-P energy: -73.179 tors. eta vs tors. theta energy: 10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2273.159391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.159391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.159391 (E_RNA) where: Base-Base interactions energy: -1542.788 where: short stacking energy: -680.078 Base-Backbone interact. energy: 2.300 local terms energy: -732.671277 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -129.559 flat angles C4'-P-C4' energy: -155.046 flat angles P-C4'-P energy: -107.523 tors. eta vs tors. theta energy: -199.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2147.976805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.976805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.976805 (E_RNA) where: Base-Base interactions energy: -1453.031 where: short stacking energy: -624.847 Base-Backbone interact. energy: 1.164 local terms energy: -696.109511 where: bonds (distance) C4'-P energy: -132.044 bonds (distance) P-C4' energy: -147.132 flat angles C4'-P-C4' energy: -159.301 flat angles P-C4'-P energy: -94.934 tors. eta vs tors. theta energy: -162.699 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: 3, replica: 8 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2040.622174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.622174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.622174 (E_RNA) where: Base-Base interactions energy: -1357.286 where: short stacking energy: -588.757 Base-Backbone interact. energy: -4.979 local terms energy: -678.357959 where: bonds (distance) C4'-P energy: -121.363 bonds (distance) P-C4' energy: -133.003 flat angles C4'-P-C4' energy: -134.586 flat angles P-C4'-P energy: -113.575 tors. eta vs tors. theta energy: -175.830 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: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1944.973151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.973151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.973151 (E_RNA) where: Base-Base interactions energy: -1333.030 where: short stacking energy: -584.685 Base-Backbone interact. energy: 1.351 local terms energy: -613.294778 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -106.069 flat angles C4'-P-C4' energy: -129.947 flat angles P-C4'-P energy: -89.399 tors. eta vs tors. theta energy: -177.320 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: 4 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1761.831331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.831331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.831331 (E_RNA) where: Base-Base interactions energy: -1202.618 where: short stacking energy: -495.381 Base-Backbone interact. energy: 1.997 local terms energy: -561.210378 where: bonds (distance) C4'-P energy: -109.809 bonds (distance) P-C4' energy: -120.303 flat angles C4'-P-C4' energy: -125.716 flat angles P-C4'-P energy: -88.657 tors. eta vs tors. theta energy: -116.726 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: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1562.361357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.361357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.361357 (E_RNA) where: Base-Base interactions energy: -1018.680 where: short stacking energy: -469.769 Base-Backbone interact. energy: 0.738 local terms energy: -544.419346 where: bonds (distance) C4'-P energy: -111.241 bonds (distance) P-C4' energy: -91.913 flat angles C4'-P-C4' energy: -129.028 flat angles P-C4'-P energy: -84.671 tors. eta vs tors. theta energy: -127.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1384.129630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.129630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.129630 (E_RNA) where: Base-Base interactions energy: -864.739 where: short stacking energy: -387.358 Base-Backbone interact. energy: 0.673 local terms energy: -520.063071 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -121.528 flat angles C4'-P-C4' energy: -112.602 flat angles P-C4'-P energy: -77.590 tors. eta vs tors. theta energy: -89.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1264.876075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.876075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.876075 (E_RNA) where: Base-Base interactions energy: -774.109 where: short stacking energy: -361.689 Base-Backbone interact. energy: -1.050 local terms energy: -489.717426 where: bonds (distance) C4'-P energy: -114.020 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -112.448 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -83.245 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: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -876.499794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.499794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.499794 (E_RNA) where: Base-Base interactions energy: -485.047 where: short stacking energy: -237.187 Base-Backbone interact. energy: -1.974 local terms energy: -389.478027 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -106.680 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -2.692 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: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -605.300267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.300267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.300267 (E_RNA) where: Base-Base interactions energy: -244.259 where: short stacking energy: -155.719 Base-Backbone interact. energy: -1.806 local terms energy: -359.235330 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -106.553 flat angles C4'-P-C4' energy: -92.781 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: 17.984 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: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2263.008327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.008327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.008327 (E_RNA) where: Base-Base interactions energy: -1535.984 where: short stacking energy: -641.150 Base-Backbone interact. energy: -2.108 local terms energy: -724.916222 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -141.347 flat angles C4'-P-C4' energy: -152.370 flat angles P-C4'-P energy: -94.663 tors. eta vs tors. theta energy: -200.142 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: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2184.808637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.808637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.808637 (E_RNA) where: Base-Base interactions energy: -1504.010 where: short stacking energy: -612.467 Base-Backbone interact. energy: -0.724 local terms energy: -680.074132 where: bonds (distance) C4'-P energy: -113.902 bonds (distance) P-C4' energy: -143.321 flat angles C4'-P-C4' energy: -160.020 flat angles P-C4'-P energy: -97.484 tors. eta vs tors. theta energy: -165.347 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: 3, replica: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2065.768257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.768257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.768257 (E_RNA) where: Base-Base interactions energy: -1422.398 where: short stacking energy: -625.296 Base-Backbone interact. energy: -0.707 local terms energy: -642.663631 where: bonds (distance) C4'-P energy: -120.646 bonds (distance) P-C4' energy: -125.138 flat angles C4'-P-C4' energy: -131.671 flat angles P-C4'-P energy: -95.793 tors. eta vs tors. theta energy: -169.415 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: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1961.354921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.354921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.354921 (E_RNA) where: Base-Base interactions energy: -1329.686 where: short stacking energy: -571.679 Base-Backbone interact. energy: -3.109 local terms energy: -628.559673 where: bonds (distance) C4'-P energy: -115.362 bonds (distance) P-C4' energy: -130.167 flat angles C4'-P-C4' energy: -130.748 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -158.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1789.471284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.471284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.471284 (E_RNA) where: Base-Base interactions energy: -1174.803 where: short stacking energy: -499.442 Base-Backbone interact. energy: -4.157 local terms energy: -610.511086 where: bonds (distance) C4'-P energy: -124.766 bonds (distance) P-C4' energy: -121.052 flat angles C4'-P-C4' energy: -137.453 flat angles P-C4'-P energy: -91.699 tors. eta vs tors. theta energy: -135.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1607.345129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.345129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.345129 (E_RNA) where: Base-Base interactions energy: -1053.259 where: short stacking energy: -462.700 Base-Backbone interact. energy: -1.350 local terms energy: -552.736211 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -125.590 flat angles C4'-P-C4' energy: -130.090 flat angles P-C4'-P energy: -77.295 tors. eta vs tors. theta energy: -110.010 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: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1380.056990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.056990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.056990 (E_RNA) where: Base-Base interactions energy: -853.807 where: short stacking energy: -398.172 Base-Backbone interact. energy: -1.465 local terms energy: -524.785188 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -126.502 flat angles C4'-P-C4' energy: -124.454 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -89.753 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: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1154.158210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.158210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.158210 (E_RNA) where: Base-Base interactions energy: -711.438 where: short stacking energy: -320.787 Base-Backbone interact. energy: -3.700 local terms energy: -439.020427 where: bonds (distance) C4'-P energy: -101.671 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -96.617 flat angles P-C4'-P energy: -69.283 tors. eta vs tors. theta energy: -61.984 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: 9, replica: 6 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -857.603213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.603213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.603213 (E_RNA) where: Base-Base interactions energy: -454.407 where: short stacking energy: -264.397 Base-Backbone interact. energy: 2.832 local terms energy: -406.028332 where: bonds (distance) C4'-P energy: -103.444 bonds (distance) P-C4' energy: -101.312 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -20.765 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: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -575.861393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.861393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.861393 (E_RNA) where: Base-Base interactions energy: -241.984 where: short stacking energy: -150.175 Base-Backbone interact. energy: 0.393 local terms energy: -334.270801 where: bonds (distance) C4'-P energy: -109.483 bonds (distance) P-C4' energy: -116.153 flat angles C4'-P-C4' energy: -95.679 flat angles P-C4'-P energy: -54.757 tors. eta vs tors. theta energy: 41.801 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: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2282.081852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.081852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.081852 (E_RNA) where: Base-Base interactions energy: -1571.542 where: short stacking energy: -654.265 Base-Backbone interact. energy: -1.724 local terms energy: -708.815820 where: bonds (distance) C4'-P energy: -140.656 bonds (distance) P-C4' energy: -131.715 flat angles C4'-P-C4' energy: -137.293 flat angles P-C4'-P energy: -98.970 tors. eta vs tors. theta energy: -200.182 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: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2151.408205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.408205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.408205 (E_RNA) where: Base-Base interactions energy: -1496.523 where: short stacking energy: -620.407 Base-Backbone interact. energy: 1.536 local terms energy: -656.421267 where: bonds (distance) C4'-P energy: -119.901 bonds (distance) P-C4' energy: -128.986 flat angles C4'-P-C4' energy: -155.280 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -169.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2045.381750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.381750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.381750 (E_RNA) where: Base-Base interactions energy: -1378.826 where: short stacking energy: -618.911 Base-Backbone interact. energy: 0.916 local terms energy: -667.472461 where: bonds (distance) C4'-P energy: -118.152 bonds (distance) P-C4' energy: -131.239 flat angles C4'-P-C4' energy: -147.899 flat angles P-C4'-P energy: -88.711 tors. eta vs tors. theta energy: -181.470 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: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1961.651731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.651731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.651731 (E_RNA) where: Base-Base interactions energy: -1327.084 where: short stacking energy: -548.344 Base-Backbone interact. energy: -4.037 local terms energy: -630.531400 where: bonds (distance) C4'-P energy: -111.191 bonds (distance) P-C4' energy: -134.578 flat angles C4'-P-C4' energy: -126.866 flat angles P-C4'-P energy: -92.064 tors. eta vs tors. theta energy: -165.833 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: 4 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1760.796915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.796915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.796915 (E_RNA) where: Base-Base interactions energy: -1155.896 where: short stacking energy: -490.387 Base-Backbone interact. energy: -3.339 local terms energy: -601.561992 where: bonds (distance) C4'-P energy: -117.074 bonds (distance) P-C4' energy: -143.797 flat angles C4'-P-C4' energy: -142.846 flat angles P-C4'-P energy: -76.897 tors. eta vs tors. theta energy: -120.947 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: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1510.048646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.048646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.048646 (E_RNA) where: Base-Base interactions energy: -958.908 where: short stacking energy: -448.021 Base-Backbone interact. energy: -1.795 local terms energy: -549.345530 where: bonds (distance) C4'-P energy: -118.466 bonds (distance) P-C4' energy: -119.430 flat angles C4'-P-C4' energy: -123.026 flat angles P-C4'-P energy: -78.894 tors. eta vs tors. theta energy: -109.529 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: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1406.224568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.224568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.224568 (E_RNA) where: Base-Base interactions energy: -892.347 where: short stacking energy: -421.854 Base-Backbone interact. energy: 0.011 local terms energy: -513.888404 where: bonds (distance) C4'-P energy: -114.513 bonds (distance) P-C4' energy: -119.732 flat angles C4'-P-C4' energy: -122.370 flat angles P-C4'-P energy: -70.964 tors. eta vs tors. theta energy: -86.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1169.228313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.228313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.228313 (E_RNA) where: Base-Base interactions energy: -682.808 where: short stacking energy: -312.756 Base-Backbone interact. energy: -0.201 local terms energy: -486.218469 where: bonds (distance) C4'-P energy: -112.595 bonds (distance) P-C4' energy: -114.975 flat angles C4'-P-C4' energy: -107.535 flat angles P-C4'-P energy: -82.563 tors. eta vs tors. theta energy: -68.550 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: 9, replica: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -869.167228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.167228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.167228 (E_RNA) where: Base-Base interactions energy: -450.840 where: short stacking energy: -237.069 Base-Backbone interact. energy: -4.122 local terms energy: -414.204554 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -109.553 flat angles C4'-P-C4' energy: -108.372 flat angles P-C4'-P energy: -73.130 tors. eta vs tors. theta energy: -25.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -610.078962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.078962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.078962 (E_RNA) where: Base-Base interactions energy: -255.567 where: short stacking energy: -147.288 Base-Backbone interact. energy: -0.427 local terms energy: -354.085550 where: bonds (distance) C4'-P energy: -102.601 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -102.014 flat angles P-C4'-P energy: -57.583 tors. eta vs tors. theta energy: 19.026 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: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2283.829283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.829283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.829283 (E_RNA) where: Base-Base interactions energy: -1560.704 where: short stacking energy: -670.436 Base-Backbone interact. energy: -1.122 local terms energy: -722.003414 where: bonds (distance) C4'-P energy: -134.135 bonds (distance) P-C4' energy: -141.561 flat angles C4'-P-C4' energy: -147.022 flat angles P-C4'-P energy: -97.621 tors. eta vs tors. theta energy: -201.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2159.015988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.015988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.015988 (E_RNA) where: Base-Base interactions energy: -1465.601 where: short stacking energy: -624.474 Base-Backbone interact. energy: 0.652 local terms energy: -694.066716 where: bonds (distance) C4'-P energy: -143.480 bonds (distance) P-C4' energy: -126.026 flat angles C4'-P-C4' energy: -144.610 flat angles P-C4'-P energy: -103.057 tors. eta vs tors. theta energy: -176.893 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: 8 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2059.886025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.886025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.886025 (E_RNA) where: Base-Base interactions energy: -1400.470 where: short stacking energy: -595.447 Base-Backbone interact. energy: -3.355 local terms energy: -656.061433 where: bonds (distance) C4'-P energy: -133.798 bonds (distance) P-C4' energy: -115.697 flat angles C4'-P-C4' energy: -137.827 flat angles P-C4'-P energy: -93.218 tors. eta vs tors. theta energy: -175.521 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: 4, replica: 3 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1986.477181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.477181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.477181 (E_RNA) where: Base-Base interactions energy: -1336.195 where: short stacking energy: -585.306 Base-Backbone interact. energy: -4.686 local terms energy: -645.595999 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -132.014 flat angles C4'-P-C4' energy: -138.917 flat angles P-C4'-P energy: -74.493 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: 5, replica: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1766.947988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.947988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.947988 (E_RNA) where: Base-Base interactions energy: -1172.046 where: short stacking energy: -487.338 Base-Backbone interact. energy: -1.712 local terms energy: -593.190152 where: bonds (distance) C4'-P energy: -120.830 bonds (distance) P-C4' energy: -128.948 flat angles C4'-P-C4' energy: -137.998 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -117.231 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: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1552.049006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.049006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.049006 (E_RNA) where: Base-Base interactions energy: -1008.201 where: short stacking energy: -471.116 Base-Backbone interact. energy: 4.483 local terms energy: -548.330516 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -122.167 flat angles C4'-P-C4' energy: -121.984 flat angles P-C4'-P energy: -75.738 tors. eta vs tors. theta energy: -114.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1368.014975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.014975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.014975 (E_RNA) where: Base-Base interactions energy: -853.291 where: short stacking energy: -396.425 Base-Backbone interact. energy: 1.866 local terms energy: -516.590468 where: bonds (distance) C4'-P energy: -101.911 bonds (distance) P-C4' energy: -127.237 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -92.268 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: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1206.511979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.511979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.511979 (E_RNA) where: Base-Base interactions energy: -725.755 where: short stacking energy: -345.861 Base-Backbone interact. energy: -0.986 local terms energy: -479.771687 where: bonds (distance) C4'-P energy: -102.198 bonds (distance) P-C4' energy: -117.220 flat angles C4'-P-C4' energy: -118.171 flat angles P-C4'-P energy: -82.765 tors. eta vs tors. theta energy: -59.418 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: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -867.612569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.612569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.612569 (E_RNA) where: Base-Base interactions energy: -456.486 where: short stacking energy: -251.258 Base-Backbone interact. energy: 2.452 local terms energy: -413.578442 where: bonds (distance) C4'-P energy: -99.644 bonds (distance) P-C4' energy: -111.775 flat angles C4'-P-C4' energy: -117.273 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -28.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -601.379579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.379579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.379579 (E_RNA) where: Base-Base interactions energy: -261.254 where: short stacking energy: -194.388 Base-Backbone interact. energy: 1.241 local terms energy: -341.367258 where: bonds (distance) C4'-P energy: -107.371 bonds (distance) P-C4' energy: -95.320 flat angles C4'-P-C4' energy: -93.765 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: 6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2235.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.237723 (E_RNA) where: Base-Base interactions energy: -1540.532 where: short stacking energy: -628.578 Base-Backbone interact. energy: 0.072 local terms energy: -694.777857 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -145.393 flat angles C4'-P-C4' energy: -155.990 flat angles P-C4'-P energy: -101.230 tors. eta vs tors. theta energy: -167.919 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: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2228.979893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.979893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.979893 (E_RNA) where: Base-Base interactions energy: -1536.705 where: short stacking energy: -632.773 Base-Backbone interact. energy: -3.159 local terms energy: -689.116148 where: bonds (distance) C4'-P energy: -120.779 bonds (distance) P-C4' energy: -136.774 flat angles C4'-P-C4' energy: -142.442 flat angles P-C4'-P energy: -92.124 tors. eta vs tors. theta energy: -196.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2061.151280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.151280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.151280 (E_RNA) where: Base-Base interactions energy: -1411.304 where: short stacking energy: -606.907 Base-Backbone interact. energy: -2.419 local terms energy: -647.428300 where: bonds (distance) C4'-P energy: -117.760 bonds (distance) P-C4' energy: -111.002 flat angles C4'-P-C4' energy: -144.575 flat angles P-C4'-P energy: -97.159 tors. eta vs tors. theta energy: -176.932 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: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2019.707228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.707228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.707228 (E_RNA) where: Base-Base interactions energy: -1383.894 where: short stacking energy: -580.331 Base-Backbone interact. energy: -2.637 local terms energy: -633.176411 where: bonds (distance) C4'-P energy: -127.002 bonds (distance) P-C4' energy: -113.352 flat angles C4'-P-C4' energy: -134.291 flat angles P-C4'-P energy: -80.242 tors. eta vs tors. theta energy: -178.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1750.515297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.515297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.515297 (E_RNA) where: Base-Base interactions energy: -1200.792 where: short stacking energy: -496.730 Base-Backbone interact. energy: -2.246 local terms energy: -547.476585 where: bonds (distance) C4'-P energy: -108.899 bonds (distance) P-C4' energy: -115.874 flat angles C4'-P-C4' energy: -129.839 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -133.825 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: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1564.959384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.959384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.959384 (E_RNA) where: Base-Base interactions energy: -1026.342 where: short stacking energy: -458.854 Base-Backbone interact. energy: 0.195 local terms energy: -538.812453 where: bonds (distance) C4'-P energy: -114.674 bonds (distance) P-C4' energy: -95.760 flat angles C4'-P-C4' energy: -128.171 flat angles P-C4'-P energy: -86.594 tors. eta vs tors. theta energy: -113.613 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: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1415.975587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.975587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.975587 (E_RNA) where: Base-Base interactions energy: -880.577 where: short stacking energy: -445.855 Base-Backbone interact. energy: 0.959 local terms energy: -536.357440 where: bonds (distance) C4'-P energy: -109.774 bonds (distance) P-C4' energy: -118.533 flat angles C4'-P-C4' energy: -127.424 flat angles P-C4'-P energy: -74.306 tors. eta vs tors. theta energy: -106.320 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: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1215.136417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.136417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.136417 (E_RNA) where: Base-Base interactions energy: -751.312 where: short stacking energy: -376.077 Base-Backbone interact. energy: -0.911 local terms energy: -462.913297 where: bonds (distance) C4'-P energy: -99.827 bonds (distance) P-C4' energy: -105.523 flat angles C4'-P-C4' energy: -109.635 flat angles P-C4'-P energy: -66.289 tors. eta vs tors. theta energy: -81.639 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: 9, replica: 6 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -888.911896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.911896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.911896 (E_RNA) where: Base-Base interactions energy: -496.811 where: short stacking energy: -258.556 Base-Backbone interact. energy: -0.233 local terms energy: -391.868105 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -99.329 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -23.014 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: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -602.057335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.057335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.057335 (E_RNA) where: Base-Base interactions energy: -247.618 where: short stacking energy: -171.383 Base-Backbone interact. energy: -0.486 local terms energy: -353.952602 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: 15.357 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: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2240.642622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.642622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.642622 (E_RNA) where: Base-Base interactions energy: -1540.867 where: short stacking energy: -632.786 Base-Backbone interact. energy: -1.651 local terms energy: -698.123978 where: bonds (distance) C4'-P energy: -132.544 bonds (distance) P-C4' energy: -130.609 flat angles C4'-P-C4' energy: -154.571 flat angles P-C4'-P energy: -103.410 tors. eta vs tors. theta energy: -176.990 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: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2220.464803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.464803 (E_RNA) where: Base-Base interactions energy: -1526.297 where: short stacking energy: -641.703 Base-Backbone interact. energy: -4.177 local terms energy: -689.990907 where: bonds (distance) C4'-P energy: -131.673 bonds (distance) P-C4' energy: -129.400 flat angles C4'-P-C4' energy: -144.614 flat angles P-C4'-P energy: -97.603 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: 8 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2047.506699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.506699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.506699 (E_RNA) where: Base-Base interactions energy: -1400.667 where: short stacking energy: -626.071 Base-Backbone interact. energy: -3.340 local terms energy: -643.499483 where: bonds (distance) C4'-P energy: -112.991 bonds (distance) P-C4' energy: -123.844 flat angles C4'-P-C4' energy: -122.802 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -184.630 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: 3 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2016.536421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.536421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.536421 (E_RNA) where: Base-Base interactions energy: -1386.139 where: short stacking energy: -580.933 Base-Backbone interact. energy: 0.603 local terms energy: -631.000757 where: bonds (distance) C4'-P energy: -117.134 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -145.695 flat angles P-C4'-P energy: -80.013 tors. eta vs tors. theta energy: -169.574 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: 119 Temperature: 1.100000 Total energy: -1728.338765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.338765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.338765 (E_RNA) where: Base-Base interactions energy: -1135.719 where: short stacking energy: -486.091 Base-Backbone interact. energy: -2.009 local terms energy: -590.610819 where: bonds (distance) C4'-P energy: -117.693 bonds (distance) P-C4' energy: -119.489 flat angles C4'-P-C4' energy: -129.668 flat angles P-C4'-P energy: -96.705 tors. eta vs tors. theta energy: -127.056 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: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1506.764010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.764010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.764010 (E_RNA) where: Base-Base interactions energy: -976.686 where: short stacking energy: -434.122 Base-Backbone interact. energy: 0.398 local terms energy: -530.475852 where: bonds (distance) C4'-P energy: -115.634 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -146.446 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -83.899 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: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1340.611223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.611223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.611223 (E_RNA) where: Base-Base interactions energy: -845.599 where: short stacking energy: -380.727 Base-Backbone interact. energy: 4.880 local terms energy: -499.892027 where: bonds (distance) C4'-P energy: -127.389 bonds (distance) P-C4' energy: -111.504 flat angles C4'-P-C4' energy: -108.334 flat angles P-C4'-P energy: -78.707 tors. eta vs tors. theta energy: -73.959 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: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1142.269975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.269975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.269975 (E_RNA) where: Base-Base interactions energy: -684.014 where: short stacking energy: -302.932 Base-Backbone interact. energy: -3.553 local terms energy: -454.702931 where: bonds (distance) C4'-P energy: -109.169 bonds (distance) P-C4' energy: -124.265 flat angles C4'-P-C4' energy: -107.697 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -45.120 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: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -947.753278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.753278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.753278 (E_RNA) where: Base-Base interactions energy: -541.465 where: short stacking energy: -265.994 Base-Backbone interact. energy: -3.467 local terms energy: -402.820654 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -119.522 flat angles C4'-P-C4' energy: -89.171 flat angles P-C4'-P energy: -49.457 tors. eta vs tors. theta energy: -27.483 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: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -693.853957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.853957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.853957 (E_RNA) where: Base-Base interactions energy: -292.342 where: short stacking energy: -156.912 Base-Backbone interact. energy: 2.448 local terms energy: -403.960094 where: bonds (distance) C4'-P energy: -121.867 bonds (distance) P-C4' energy: -116.766 flat angles C4'-P-C4' energy: -102.408 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: 6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2253.927617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.927617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.927617 (E_RNA) where: Base-Base interactions energy: -1572.085 where: short stacking energy: -607.994 Base-Backbone interact. energy: -0.336 local terms energy: -681.506918 where: bonds (distance) C4'-P energy: -132.275 bonds (distance) P-C4' energy: -141.296 flat angles C4'-P-C4' energy: -144.892 flat angles P-C4'-P energy: -98.727 tors. eta vs tors. theta energy: -164.317 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: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2238.231191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.231191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.231191 (E_RNA) where: Base-Base interactions energy: -1510.845 where: short stacking energy: -647.957 Base-Backbone interact. energy: -1.867 local terms energy: -725.519040 where: bonds (distance) C4'-P energy: -134.983 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -147.964 flat angles P-C4'-P energy: -111.645 tors. eta vs tors. theta energy: -207.010 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: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2043.426865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.426865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.426865 (E_RNA) where: Base-Base interactions energy: -1394.604 where: short stacking energy: -596.491 Base-Backbone interact. energy: -1.095 local terms energy: -647.728641 where: bonds (distance) C4'-P energy: -137.214 bonds (distance) P-C4' energy: -129.373 flat angles C4'-P-C4' energy: -133.563 flat angles P-C4'-P energy: -77.340 tors. eta vs tors. theta energy: -170.238 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: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1991.480949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.480949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.480949 (E_RNA) where: Base-Base interactions energy: -1321.896 where: short stacking energy: -551.451 Base-Backbone interact. energy: -3.496 local terms energy: -666.089209 where: bonds (distance) C4'-P energy: -148.195 bonds (distance) P-C4' energy: -122.477 flat angles C4'-P-C4' energy: -135.956 flat angles P-C4'-P energy: -88.855 tors. eta vs tors. theta energy: -170.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1704.409582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.409582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.409582 (E_RNA) where: Base-Base interactions energy: -1158.329 where: short stacking energy: -498.357 Base-Backbone interact. energy: 4.033 local terms energy: -550.113354 where: bonds (distance) C4'-P energy: -104.213 bonds (distance) P-C4' energy: -126.634 flat angles C4'-P-C4' energy: -120.718 flat angles P-C4'-P energy: -83.724 tors. eta vs tors. theta energy: -114.825 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: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1565.277381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.277381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.277381 (E_RNA) where: Base-Base interactions energy: -1021.894 where: short stacking energy: -469.719 Base-Backbone interact. energy: -3.462 local terms energy: -539.921740 where: bonds (distance) C4'-P energy: -114.371 bonds (distance) P-C4' energy: -125.499 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -115.466 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: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1388.072224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.072224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.072224 (E_RNA) where: Base-Base interactions energy: -887.769 where: short stacking energy: -420.539 Base-Backbone interact. energy: 2.783 local terms energy: -503.086555 where: bonds (distance) C4'-P energy: -105.942 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -108.528 flat angles P-C4'-P energy: -69.644 tors. eta vs tors. theta energy: -102.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1120.539730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.539730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.539730 (E_RNA) where: Base-Base interactions energy: -665.439 where: short stacking energy: -335.227 Base-Backbone interact. energy: -3.306 local terms energy: -451.795318 where: bonds (distance) C4'-P energy: -110.254 bonds (distance) P-C4' energy: -111.596 flat angles C4'-P-C4' energy: -112.025 flat angles P-C4'-P energy: -63.505 tors. eta vs tors. theta energy: -54.415 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: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -961.723950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.723950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.723950 (E_RNA) where: Base-Base interactions energy: -536.686 where: short stacking energy: -283.799 Base-Backbone interact. energy: 0.235 local terms energy: -425.272440 where: bonds (distance) C4'-P energy: -94.395 bonds (distance) P-C4' energy: -103.992 flat angles C4'-P-C4' energy: -112.684 flat angles P-C4'-P energy: -76.983 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -640.281612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.281612 (E_RNA) where: Base-Base interactions energy: -300.077 where: short stacking energy: -173.773 Base-Backbone interact. energy: 0.799 local terms energy: -341.004228 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -106.685 flat angles C4'-P-C4' energy: -81.070 flat angles P-C4'-P energy: -64.694 tors. eta vs tors. theta energy: 22.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2232.345284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.345284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.345284 (E_RNA) where: Base-Base interactions energy: -1553.394 where: short stacking energy: -636.022 Base-Backbone interact. energy: -2.995 local terms energy: -675.956132 where: bonds (distance) C4'-P energy: -137.560 bonds (distance) P-C4' energy: -128.038 flat angles C4'-P-C4' energy: -145.787 flat angles P-C4'-P energy: -90.150 tors. eta vs tors. theta energy: -174.421 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: 121 Temperature: 0.950000 Total energy: -2260.317753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.317753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.317753 (E_RNA) where: Base-Base interactions energy: -1574.804 where: short stacking energy: -680.809 Base-Backbone interact. energy: -2.067 local terms energy: -683.446164 where: bonds (distance) C4'-P energy: -121.996 bonds (distance) P-C4' energy: -121.870 flat angles C4'-P-C4' energy: -148.515 flat angles P-C4'-P energy: -89.126 tors. eta vs tors. theta energy: -201.939 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: 8 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2063.133130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.133130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.133130 (E_RNA) where: Base-Base interactions energy: -1389.529 where: short stacking energy: -596.305 Base-Backbone interact. energy: -1.297 local terms energy: -672.306928 where: bonds (distance) C4'-P energy: -131.060 bonds (distance) P-C4' energy: -135.576 flat angles C4'-P-C4' energy: -138.342 flat angles P-C4'-P energy: -96.574 tors. eta vs tors. theta energy: -170.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2001.472414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.472414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.472414 (E_RNA) where: Base-Base interactions energy: -1390.458 where: short stacking energy: -581.098 Base-Backbone interact. energy: -2.438 local terms energy: -608.575834 where: bonds (distance) C4'-P energy: -113.600 bonds (distance) P-C4' energy: -87.173 flat angles C4'-P-C4' energy: -142.588 flat angles P-C4'-P energy: -91.112 tors. eta vs tors. theta energy: -174.101 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: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1710.261734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.261734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.261734 (E_RNA) where: Base-Base interactions energy: -1142.656 where: short stacking energy: -496.334 Base-Backbone interact. energy: -3.163 local terms energy: -564.443216 where: bonds (distance) C4'-P energy: -114.263 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -118.943 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -126.113 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: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1528.426740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.426740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.426740 (E_RNA) where: Base-Base interactions energy: -1003.154 where: short stacking energy: -405.021 Base-Backbone interact. energy: 1.476 local terms energy: -526.748437 where: bonds (distance) C4'-P energy: -115.740 bonds (distance) P-C4' energy: -107.109 flat angles C4'-P-C4' energy: -118.924 flat angles P-C4'-P energy: -86.839 tors. eta vs tors. theta energy: -98.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1341.978293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.978293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.978293 (E_RNA) where: Base-Base interactions energy: -868.482 where: short stacking energy: -408.075 Base-Backbone interact. energy: 0.340 local terms energy: -473.836515 where: bonds (distance) C4'-P energy: -106.477 bonds (distance) P-C4' energy: -110.828 flat angles C4'-P-C4' energy: -112.096 flat angles P-C4'-P energy: -62.669 tors. eta vs tors. theta energy: -81.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1122.060874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.060874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.060874 (E_RNA) where: Base-Base interactions energy: -654.539 where: short stacking energy: -324.094 Base-Backbone interact. energy: -0.218 local terms energy: -467.304559 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -118.472 flat angles C4'-P-C4' energy: -122.179 flat angles P-C4'-P energy: -71.114 tors. eta vs tors. theta energy: -58.489 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: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -992.542167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.542167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.542167 (E_RNA) where: Base-Base interactions energy: -540.509 where: short stacking energy: -253.653 Base-Backbone interact. energy: 3.562 local terms energy: -455.595109 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -124.242 flat angles C4'-P-C4' energy: -121.458 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -41.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -591.393393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.393393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.393393 (E_RNA) where: Base-Base interactions energy: -256.589 where: short stacking energy: -167.366 Base-Backbone interact. energy: -1.450 local terms energy: -333.353931 where: bonds (distance) C4'-P energy: -101.511 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -76.339 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: 7.002 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: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2313.482707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.482707 (E_RNA) where: Base-Base interactions energy: -1584.328 where: short stacking energy: -655.196 Base-Backbone interact. energy: -5.539 local terms energy: -723.615882 where: bonds (distance) C4'-P energy: -130.566 bonds (distance) P-C4' energy: -150.801 flat angles C4'-P-C4' energy: -145.959 flat angles P-C4'-P energy: -93.386 tors. eta vs tors. theta energy: -202.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2224.389763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.389763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.389763 (E_RNA) where: Base-Base interactions energy: -1555.380 where: short stacking energy: -633.533 Base-Backbone interact. energy: -1.043 local terms energy: -667.966537 where: bonds (distance) C4'-P energy: -121.198 bonds (distance) P-C4' energy: -125.026 flat angles C4'-P-C4' energy: -152.342 flat angles P-C4'-P energy: -95.867 tors. eta vs tors. theta energy: -173.534 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: 8 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2047.666407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.666407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.666407 (E_RNA) where: Base-Base interactions energy: -1371.830 where: short stacking energy: -590.600 Base-Backbone interact. energy: -3.449 local terms energy: -672.388048 where: bonds (distance) C4'-P energy: -129.468 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -149.377 flat angles P-C4'-P energy: -78.343 tors. eta vs tors. theta energy: -183.794 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: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1954.957060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.957060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.957060 (E_RNA) where: Base-Base interactions energy: -1325.951 where: short stacking energy: -575.387 Base-Backbone interact. energy: -5.244 local terms energy: -623.761848 where: bonds (distance) C4'-P energy: -114.939 bonds (distance) P-C4' energy: -111.590 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: -176.210 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: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1708.144288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.144288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.144288 (E_RNA) where: Base-Base interactions energy: -1151.820 where: short stacking energy: -470.681 Base-Backbone interact. energy: -1.315 local terms energy: -555.008914 where: bonds (distance) C4'-P energy: -96.814 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -133.685 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -117.613 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: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1492.088098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.088098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.088098 (E_RNA) where: Base-Base interactions energy: -946.462 where: short stacking energy: -436.931 Base-Backbone interact. energy: -2.091 local terms energy: -543.535351 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -131.804 flat angles C4'-P-C4' energy: -119.548 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -97.510 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: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1411.850655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.850655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.850655 (E_RNA) where: Base-Base interactions energy: -912.171 where: short stacking energy: -420.271 Base-Backbone interact. energy: 1.862 local terms energy: -501.541548 where: bonds (distance) C4'-P energy: -106.994 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -124.693 flat angles P-C4'-P energy: -71.190 tors. eta vs tors. theta energy: -94.186 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: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1168.082511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.082511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.082511 (E_RNA) where: Base-Base interactions energy: -682.163 where: short stacking energy: -371.589 Base-Backbone interact. energy: 1.217 local terms energy: -487.136598 where: bonds (distance) C4'-P energy: -113.908 bonds (distance) P-C4' energy: -131.697 flat angles C4'-P-C4' energy: -111.408 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: -66.467 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: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -962.180263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.180263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.180263 (E_RNA) where: Base-Base interactions energy: -527.958 where: short stacking energy: -265.704 Base-Backbone interact. energy: -1.908 local terms energy: -432.314267 where: bonds (distance) C4'-P energy: -109.370 bonds (distance) P-C4' energy: -128.371 flat angles C4'-P-C4' energy: -113.154 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -15.357 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: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -585.081529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.081529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.081529 (E_RNA) where: Base-Base interactions energy: -238.820 where: short stacking energy: -165.981 Base-Backbone interact. energy: 0.146 local terms energy: -346.406984 where: bonds (distance) C4'-P energy: -107.532 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -82.510 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: 5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2336.208692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.208692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.208692 (E_RNA) where: Base-Base interactions energy: -1596.742 where: short stacking energy: -678.884 Base-Backbone interact. energy: -1.842 local terms energy: -737.624682 where: bonds (distance) C4'-P energy: -138.980 bonds (distance) P-C4' energy: -137.887 flat angles C4'-P-C4' energy: -160.102 flat angles P-C4'-P energy: -106.818 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: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2193.016551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.016551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.016551 (E_RNA) where: Base-Base interactions energy: -1524.952 where: short stacking energy: -622.362 Base-Backbone interact. energy: -1.269 local terms energy: -666.795113 where: bonds (distance) C4'-P energy: -137.112 bonds (distance) P-C4' energy: -124.337 flat angles C4'-P-C4' energy: -151.082 flat angles P-C4'-P energy: -83.099 tors. eta vs tors. theta energy: -171.165 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: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2022.729384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.729384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.729384 (E_RNA) where: Base-Base interactions energy: -1359.481 where: short stacking energy: -611.918 Base-Backbone interact. energy: -0.082 local terms energy: -663.166293 where: bonds (distance) C4'-P energy: -128.131 bonds (distance) P-C4' energy: -128.605 flat angles C4'-P-C4' energy: -137.486 flat angles P-C4'-P energy: -89.154 tors. eta vs tors. theta energy: -179.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1961.230280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.230280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.230280 (E_RNA) where: Base-Base interactions energy: -1347.632 where: short stacking energy: -582.593 Base-Backbone interact. energy: 2.968 local terms energy: -616.566590 where: bonds (distance) C4'-P energy: -105.575 bonds (distance) P-C4' energy: -124.031 flat angles C4'-P-C4' energy: -133.081 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: -176.413 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1748.825975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.825975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.825975 (E_RNA) where: Base-Base interactions energy: -1158.153 where: short stacking energy: -491.559 Base-Backbone interact. energy: -1.271 local terms energy: -589.402825 where: bonds (distance) C4'-P energy: -110.652 bonds (distance) P-C4' energy: -127.280 flat angles C4'-P-C4' energy: -142.415 flat angles P-C4'-P energy: -84.742 tors. eta vs tors. theta energy: -124.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1516.193179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.193179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.193179 (E_RNA) where: Base-Base interactions energy: -988.547 where: short stacking energy: -476.042 Base-Backbone interact. energy: -1.121 local terms energy: -526.524975 where: bonds (distance) C4'-P energy: -106.478 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -116.847 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -117.524 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: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1372.027375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.027375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.027375 (E_RNA) where: Base-Base interactions energy: -821.478 where: short stacking energy: -372.630 Base-Backbone interact. energy: -2.777 local terms energy: -547.772301 where: bonds (distance) C4'-P energy: -128.337 bonds (distance) P-C4' energy: -129.430 flat angles C4'-P-C4' energy: -117.035 flat angles P-C4'-P energy: -90.425 tors. eta vs tors. theta energy: -82.546 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1088.816113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.816113 (E_RNA) where: Base-Base interactions energy: -669.142 where: short stacking energy: -323.863 Base-Backbone interact. energy: -1.058 local terms energy: -418.615730 where: bonds (distance) C4'-P energy: -98.550 bonds (distance) P-C4' energy: -118.244 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -56.112 tors. eta vs tors. theta energy: -44.702 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: 6 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1007.580846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.580846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.580846 (E_RNA) where: Base-Base interactions energy: -576.503 where: short stacking energy: -298.451 Base-Backbone interact. energy: -1.591 local terms energy: -429.486775 where: bonds (distance) C4'-P energy: -113.331 bonds (distance) P-C4' energy: -118.227 flat angles C4'-P-C4' energy: -96.282 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -41.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -628.786245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.786245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.786245 (E_RNA) where: Base-Base interactions energy: -308.400 where: short stacking energy: -178.907 Base-Backbone interact. energy: -0.933 local terms energy: -319.453480 where: bonds (distance) C4'-P energy: -96.463 bonds (distance) P-C4' energy: -112.879 flat angles C4'-P-C4' energy: -86.216 flat angles P-C4'-P energy: -41.309 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: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2322.648462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.648462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.648462 (E_RNA) where: Base-Base interactions energy: -1623.395 where: short stacking energy: -671.303 Base-Backbone interact. energy: -2.419 local terms energy: -696.833900 where: bonds (distance) C4'-P energy: -123.431 bonds (distance) P-C4' energy: -131.675 flat angles C4'-P-C4' energy: -163.452 flat angles P-C4'-P energy: -94.095 tors. eta vs tors. theta energy: -184.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2200.585043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.585043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.585043 (E_RNA) where: Base-Base interactions energy: -1510.417 where: short stacking energy: -580.905 Base-Backbone interact. energy: -3.865 local terms energy: -686.302970 where: bonds (distance) C4'-P energy: -134.896 bonds (distance) P-C4' energy: -137.033 flat angles C4'-P-C4' energy: -140.715 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -179.671 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: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2062.674118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.674118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.674118 (E_RNA) where: Base-Base interactions energy: -1424.072 where: short stacking energy: -590.011 Base-Backbone interact. energy: -0.479 local terms energy: -638.123135 where: bonds (distance) C4'-P energy: -116.389 bonds (distance) P-C4' energy: -127.010 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -170.814 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: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1975.453232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.453232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.453232 (E_RNA) where: Base-Base interactions energy: -1319.327 where: short stacking energy: -591.307 Base-Backbone interact. energy: -0.078 local terms energy: -656.047998 where: bonds (distance) C4'-P energy: -116.488 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -147.348 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -163.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1720.942967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.942967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.942967 (E_RNA) where: Base-Base interactions energy: -1144.138 where: short stacking energy: -474.175 Base-Backbone interact. energy: -4.048 local terms energy: -572.756468 where: bonds (distance) C4'-P energy: -131.835 bonds (distance) P-C4' energy: -128.665 flat angles C4'-P-C4' energy: -109.883 flat angles P-C4'-P energy: -82.984 tors. eta vs tors. theta energy: -119.389 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: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1567.815071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.815071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.815071 (E_RNA) where: Base-Base interactions energy: -1031.892 where: short stacking energy: -445.715 Base-Backbone interact. energy: 1.005 local terms energy: -536.927315 where: bonds (distance) C4'-P energy: -112.092 bonds (distance) P-C4' energy: -106.069 flat angles C4'-P-C4' energy: -121.409 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -120.439 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1412.050867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.050867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.050867 (E_RNA) where: Base-Base interactions energy: -890.210 where: short stacking energy: -404.958 Base-Backbone interact. energy: 1.390 local terms energy: -523.230917 where: bonds (distance) C4'-P energy: -103.404 bonds (distance) P-C4' energy: -127.530 flat angles C4'-P-C4' energy: -124.978 flat angles P-C4'-P energy: -67.993 tors. eta vs tors. theta energy: -99.325 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: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1154.896176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.896176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.896176 (E_RNA) where: Base-Base interactions energy: -706.671 where: short stacking energy: -351.417 Base-Backbone interact. energy: 0.153 local terms energy: -448.377400 where: bonds (distance) C4'-P energy: -106.564 bonds (distance) P-C4' energy: -129.039 flat angles C4'-P-C4' energy: -98.379 flat angles P-C4'-P energy: -60.828 tors. eta vs tors. theta energy: -53.567 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: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -963.338768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.338768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.338768 (E_RNA) where: Base-Base interactions energy: -525.620 where: short stacking energy: -253.564 Base-Backbone interact. energy: -1.942 local terms energy: -435.776659 where: bonds (distance) C4'-P energy: -110.006 bonds (distance) P-C4' energy: -123.867 flat angles C4'-P-C4' energy: -99.367 flat angles P-C4'-P energy: -76.323 tors. eta vs tors. theta energy: -26.213 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: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -685.046790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.046790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.046790 (E_RNA) where: Base-Base interactions energy: -309.512 where: short stacking energy: -177.692 Base-Backbone interact. energy: -0.728 local terms energy: -374.807251 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -109.975 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: 7.958 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: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2335.713184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.713184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.713184 (E_RNA) where: Base-Base interactions energy: -1619.449 where: short stacking energy: -680.268 Base-Backbone interact. energy: -3.750 local terms energy: -712.513976 where: bonds (distance) C4'-P energy: -134.749 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -153.437 flat angles P-C4'-P energy: -93.130 tors. eta vs tors. theta energy: -197.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2211.907621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.907621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.907621 (E_RNA) where: Base-Base interactions energy: -1522.281 where: short stacking energy: -632.582 Base-Backbone interact. energy: -3.910 local terms energy: -685.715836 where: bonds (distance) C4'-P energy: -133.299 bonds (distance) P-C4' energy: -128.216 flat angles C4'-P-C4' energy: -144.679 flat angles P-C4'-P energy: -103.755 tors. eta vs tors. theta energy: -175.767 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: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2067.875562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.875562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.875562 (E_RNA) where: Base-Base interactions energy: -1394.412 where: short stacking energy: -603.680 Base-Backbone interact. energy: -3.868 local terms energy: -669.596410 where: bonds (distance) C4'-P energy: -123.645 bonds (distance) P-C4' energy: -127.824 flat angles C4'-P-C4' energy: -140.531 flat angles P-C4'-P energy: -99.174 tors. eta vs tors. theta energy: -178.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2004.034184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.034184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.034184 (E_RNA) where: Base-Base interactions energy: -1350.394 where: short stacking energy: -569.360 Base-Backbone interact. energy: -0.975 local terms energy: -652.665916 where: bonds (distance) C4'-P energy: -127.859 bonds (distance) P-C4' energy: -126.212 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -89.031 tors. eta vs tors. theta energy: -165.397 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1743.041003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.041003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.041003 (E_RNA) where: Base-Base interactions energy: -1169.571 where: short stacking energy: -495.342 Base-Backbone interact. energy: 0.132 local terms energy: -573.602083 where: bonds (distance) C4'-P energy: -122.369 bonds (distance) P-C4' energy: -117.148 flat angles C4'-P-C4' energy: -119.223 flat angles P-C4'-P energy: -94.669 tors. eta vs tors. theta energy: -120.193 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1566.556287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.556287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.556287 (E_RNA) where: Base-Base interactions energy: -1025.785 where: short stacking energy: -467.174 Base-Backbone interact. energy: -2.724 local terms energy: -538.047862 where: bonds (distance) C4'-P energy: -108.933 bonds (distance) P-C4' energy: -115.274 flat angles C4'-P-C4' energy: -138.501 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: -113.826 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: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1394.367921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.367921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.367921 (E_RNA) where: Base-Base interactions energy: -864.004 where: short stacking energy: -414.118 Base-Backbone interact. energy: -1.719 local terms energy: -528.644986 where: bonds (distance) C4'-P energy: -109.832 bonds (distance) P-C4' energy: -117.227 flat angles C4'-P-C4' energy: -125.375 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -101.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1132.256590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.256590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.256590 (E_RNA) where: Base-Base interactions energy: -717.159 where: short stacking energy: -332.190 Base-Backbone interact. energy: -1.940 local terms energy: -413.157559 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -95.312 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -44.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -985.677915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.677915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.677915 (E_RNA) where: Base-Base interactions energy: -559.125 where: short stacking energy: -279.118 Base-Backbone interact. energy: -0.063 local terms energy: -426.489663 where: bonds (distance) C4'-P energy: -103.754 bonds (distance) P-C4' energy: -117.277 flat angles C4'-P-C4' energy: -99.909 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -43.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -729.491994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.491994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.491994 (E_RNA) where: Base-Base interactions energy: -395.868 where: short stacking energy: -218.988 Base-Backbone interact. energy: -1.892 local terms energy: -331.732442 where: bonds (distance) C4'-P energy: -99.139 bonds (distance) P-C4' energy: -103.247 flat angles C4'-P-C4' energy: -81.645 flat angles P-C4'-P energy: -46.933 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2284.784353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.784353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.784353 (E_RNA) where: Base-Base interactions energy: -1569.491 where: short stacking energy: -682.383 Base-Backbone interact. energy: -5.835 local terms energy: -709.458513 where: bonds (distance) C4'-P energy: -128.773 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -161.494 flat angles P-C4'-P energy: -90.244 tors. eta vs tors. theta energy: -209.857 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: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2200.628083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.628083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.628083 (E_RNA) where: Base-Base interactions energy: -1536.094 where: short stacking energy: -608.432 Base-Backbone interact. energy: -2.781 local terms energy: -661.753381 where: bonds (distance) C4'-P energy: -121.070 bonds (distance) P-C4' energy: -118.351 flat angles C4'-P-C4' energy: -145.308 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -178.687 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: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2083.934051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.934051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.934051 (E_RNA) where: Base-Base interactions energy: -1421.741 where: short stacking energy: -607.976 Base-Backbone interact. energy: -3.486 local terms energy: -658.706135 where: bonds (distance) C4'-P energy: -138.349 bonds (distance) P-C4' energy: -127.583 flat angles C4'-P-C4' energy: -120.783 flat angles P-C4'-P energy: -92.018 tors. eta vs tors. theta energy: -179.974 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: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1998.836820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.836820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.836820 (E_RNA) where: Base-Base interactions energy: -1349.227 where: short stacking energy: -603.677 Base-Backbone interact. energy: 2.431 local terms energy: -652.040880 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -133.636 flat angles C4'-P-C4' energy: -148.197 flat angles P-C4'-P energy: -91.380 tors. eta vs tors. theta energy: -169.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1783.159457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.159457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.159457 (E_RNA) where: Base-Base interactions energy: -1182.938 where: short stacking energy: -483.020 Base-Backbone interact. energy: 0.382 local terms energy: -600.603663 where: bonds (distance) C4'-P energy: -117.798 bonds (distance) P-C4' energy: -135.710 flat angles C4'-P-C4' energy: -130.752 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -126.783 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: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1608.258894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.258894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.258894 (E_RNA) where: Base-Base interactions energy: -1043.186 where: short stacking energy: -483.295 Base-Backbone interact. energy: -0.371 local terms energy: -564.701908 where: bonds (distance) C4'-P energy: -105.616 bonds (distance) P-C4' energy: -119.451 flat angles C4'-P-C4' energy: -142.869 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -118.924 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: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1387.546278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.546278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.546278 (E_RNA) where: Base-Base interactions energy: -911.566 where: short stacking energy: -451.999 Base-Backbone interact. energy: 3.049 local terms energy: -479.029347 where: bonds (distance) C4'-P energy: -88.765 bonds (distance) P-C4' energy: -114.071 flat angles C4'-P-C4' energy: -96.782 flat angles P-C4'-P energy: -75.936 tors. eta vs tors. theta energy: -103.476 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: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1200.656809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.656809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.656809 (E_RNA) where: Base-Base interactions energy: -745.435 where: short stacking energy: -344.041 Base-Backbone interact. energy: 0.553 local terms energy: -455.774796 where: bonds (distance) C4'-P energy: -109.746 bonds (distance) P-C4' energy: -122.246 flat angles C4'-P-C4' energy: -120.459 flat angles P-C4'-P energy: -48.829 tors. eta vs tors. theta energy: -54.495 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: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -962.486871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.486871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.486871 (E_RNA) where: Base-Base interactions energy: -553.485 where: short stacking energy: -285.983 Base-Backbone interact. energy: -1.485 local terms energy: -407.516490 where: bonds (distance) C4'-P energy: -105.945 bonds (distance) P-C4' energy: -110.605 flat angles C4'-P-C4' energy: -95.087 flat angles P-C4'-P energy: -72.455 tors. eta vs tors. theta energy: -23.423 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: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -708.011586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.011586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.011586 (E_RNA) where: Base-Base interactions energy: -341.492 where: short stacking energy: -213.555 Base-Backbone interact. energy: 4.300 local terms energy: -370.819333 where: bonds (distance) C4'-P energy: -93.045 bonds (distance) P-C4' energy: -116.528 flat angles C4'-P-C4' energy: -105.035 flat angles P-C4'-P energy: -61.673 tors. eta vs tors. theta energy: 5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2291.359951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.359951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.359951 (E_RNA) where: Base-Base interactions energy: -1570.503 where: short stacking energy: -649.949 Base-Backbone interact. energy: -1.889 local terms energy: -718.967346 where: bonds (distance) C4'-P energy: -138.815 bonds (distance) P-C4' energy: -134.323 flat angles C4'-P-C4' energy: -149.790 flat angles P-C4'-P energy: -101.187 tors. eta vs tors. theta energy: -194.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2201.851012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.851012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.851012 (E_RNA) where: Base-Base interactions energy: -1531.365 where: short stacking energy: -633.614 Base-Backbone interact. energy: -3.376 local terms energy: -667.109581 where: bonds (distance) C4'-P energy: -128.960 bonds (distance) P-C4' energy: -127.325 flat angles C4'-P-C4' energy: -149.084 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -174.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2105.589083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.589083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.589083 (E_RNA) where: Base-Base interactions energy: -1425.959 where: short stacking energy: -625.328 Base-Backbone interact. energy: 3.209 local terms energy: -682.838686 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -148.019 flat angles P-C4'-P energy: -90.422 tors. eta vs tors. theta energy: -182.823 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: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1968.193013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.193013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.193013 (E_RNA) where: Base-Base interactions energy: -1307.264 where: short stacking energy: -559.826 Base-Backbone interact. energy: 0.075 local terms energy: -661.004500 where: bonds (distance) C4'-P energy: -122.688 bonds (distance) P-C4' energy: -139.558 flat angles C4'-P-C4' energy: -139.288 flat angles P-C4'-P energy: -93.376 tors. eta vs tors. theta energy: -166.094 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: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1843.585687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.585687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.585687 (E_RNA) where: Base-Base interactions energy: -1238.944 where: short stacking energy: -552.730 Base-Backbone interact. energy: -2.459 local terms energy: -602.182951 where: bonds (distance) C4'-P energy: -123.712 bonds (distance) P-C4' energy: -123.124 flat angles C4'-P-C4' energy: -126.973 flat angles P-C4'-P energy: -79.740 tors. eta vs tors. theta energy: -148.635 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: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1629.154420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.154420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.154420 (E_RNA) where: Base-Base interactions energy: -1083.592 where: short stacking energy: -486.544 Base-Backbone interact. energy: -4.041 local terms energy: -541.521705 where: bonds (distance) C4'-P energy: -124.594 bonds (distance) P-C4' energy: -105.931 flat angles C4'-P-C4' energy: -111.227 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -124.884 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: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1397.542107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.542107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.542107 (E_RNA) where: Base-Base interactions energy: -915.763 where: short stacking energy: -443.676 Base-Backbone interact. energy: -1.977 local terms energy: -479.801524 where: bonds (distance) C4'-P energy: -94.780 bonds (distance) P-C4' energy: -102.286 flat angles C4'-P-C4' energy: -106.007 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -94.537 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: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1174.022367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.022367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.022367 (E_RNA) where: Base-Base interactions energy: -736.994 where: short stacking energy: -371.148 Base-Backbone interact. energy: -1.665 local terms energy: -435.363372 where: bonds (distance) C4'-P energy: -93.235 bonds (distance) P-C4' energy: -106.762 flat angles C4'-P-C4' energy: -116.315 flat angles P-C4'-P energy: -46.211 tors. eta vs tors. theta energy: -72.840 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: 6 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -922.953858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.953858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.953858 (E_RNA) where: Base-Base interactions energy: -498.624 where: short stacking energy: -275.341 Base-Backbone interact. energy: -0.385 local terms energy: -423.945101 where: bonds (distance) C4'-P energy: -101.082 bonds (distance) P-C4' energy: -108.184 flat angles C4'-P-C4' energy: -107.802 flat angles P-C4'-P energy: -69.697 tors. eta vs tors. theta energy: -37.179 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -710.464495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.464495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.464495 (E_RNA) where: Base-Base interactions energy: -353.512 where: short stacking energy: -207.958 Base-Backbone interact. energy: -2.545 local terms energy: -354.407231 where: bonds (distance) C4'-P energy: -102.638 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -98.054 flat angles P-C4'-P energy: -52.303 tors. eta vs tors. theta energy: 6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2297.884355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.884355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.884355 (E_RNA) where: Base-Base interactions energy: -1574.539 where: short stacking energy: -639.979 Base-Backbone interact. energy: -2.960 local terms energy: -720.386037 where: bonds (distance) C4'-P energy: -136.294 bonds (distance) P-C4' energy: -150.480 flat angles C4'-P-C4' energy: -147.357 flat angles P-C4'-P energy: -92.195 tors. eta vs tors. theta energy: -194.060 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2189.383441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.383441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.383441 (E_RNA) where: Base-Base interactions energy: -1524.729 where: short stacking energy: -639.039 Base-Backbone interact. energy: -1.795 local terms energy: -662.860224 where: bonds (distance) C4'-P energy: -126.061 bonds (distance) P-C4' energy: -128.639 flat angles C4'-P-C4' energy: -140.720 flat angles P-C4'-P energy: -91.034 tors. eta vs tors. theta energy: -176.406 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: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2119.300495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.300495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.300495 (E_RNA) where: Base-Base interactions energy: -1452.360 where: short stacking energy: -618.038 Base-Backbone interact. energy: -3.379 local terms energy: -663.560994 where: bonds (distance) C4'-P energy: -117.321 bonds (distance) P-C4' energy: -115.174 flat angles C4'-P-C4' energy: -153.576 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -180.914 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: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2009.074382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.074382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.074382 (E_RNA) where: Base-Base interactions energy: -1371.139 where: short stacking energy: -603.182 Base-Backbone interact. energy: -1.955 local terms energy: -635.981055 where: bonds (distance) C4'-P energy: -118.863 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -129.425 flat angles P-C4'-P energy: -100.393 tors. eta vs tors. theta energy: -172.481 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: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1839.760559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.760559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.760559 (E_RNA) where: Base-Base interactions energy: -1243.951 where: short stacking energy: -535.590 Base-Backbone interact. energy: 0.232 local terms energy: -596.041970 where: bonds (distance) C4'-P energy: -111.109 bonds (distance) P-C4' energy: -113.807 flat angles C4'-P-C4' energy: -136.288 flat angles P-C4'-P energy: -90.149 tors. eta vs tors. theta energy: -144.689 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: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1519.088504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.088504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.088504 (E_RNA) where: Base-Base interactions energy: -974.741 where: short stacking energy: -464.679 Base-Backbone interact. energy: -1.387 local terms energy: -542.960395 where: bonds (distance) C4'-P energy: -124.875 bonds (distance) P-C4' energy: -121.324 flat angles C4'-P-C4' energy: -112.465 flat angles P-C4'-P energy: -77.386 tors. eta vs tors. theta energy: -106.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1407.114427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.114427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.114427 (E_RNA) where: Base-Base interactions energy: -895.170 where: short stacking energy: -410.535 Base-Backbone interact. energy: -1.189 local terms energy: -510.755547 where: bonds (distance) C4'-P energy: -100.848 bonds (distance) P-C4' energy: -116.261 flat angles C4'-P-C4' energy: -117.218 flat angles P-C4'-P energy: -79.636 tors. eta vs tors. theta energy: -96.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1181.346699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.346699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.346699 (E_RNA) where: Base-Base interactions energy: -725.811 where: short stacking energy: -359.960 Base-Backbone interact. energy: -0.603 local terms energy: -454.932487 where: bonds (distance) C4'-P energy: -97.010 bonds (distance) P-C4' energy: -122.240 flat angles C4'-P-C4' energy: -109.777 flat angles P-C4'-P energy: -69.242 tors. eta vs tors. theta energy: -56.663 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: 6 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -929.392581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.392581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.392581 (E_RNA) where: Base-Base interactions energy: -524.790 where: short stacking energy: -259.480 Base-Backbone interact. energy: -2.858 local terms energy: -401.744048 where: bonds (distance) C4'-P energy: -106.324 bonds (distance) P-C4' energy: -106.304 flat angles C4'-P-C4' energy: -98.278 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: -33.453 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: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -707.374729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.374729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.374729 (E_RNA) where: Base-Base interactions energy: -322.079 where: short stacking energy: -195.905 Base-Backbone interact. energy: -1.206 local terms energy: -384.089546 where: bonds (distance) C4'-P energy: -111.607 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -108.124 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: 10.941 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: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2299.850969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.850969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.850969 (E_RNA) where: Base-Base interactions energy: -1584.476 where: short stacking energy: -656.544 Base-Backbone interact. energy: -3.968 local terms energy: -711.406743 where: bonds (distance) C4'-P energy: -133.951 bonds (distance) P-C4' energy: -134.702 flat angles C4'-P-C4' energy: -157.017 flat angles P-C4'-P energy: -90.270 tors. eta vs tors. theta energy: -195.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2156.959252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.959252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.959252 (E_RNA) where: Base-Base interactions energy: -1476.014 where: short stacking energy: -593.609 Base-Backbone interact. energy: -3.218 local terms energy: -677.727551 where: bonds (distance) C4'-P energy: -123.662 bonds (distance) P-C4' energy: -149.667 flat angles C4'-P-C4' energy: -147.113 flat angles P-C4'-P energy: -89.097 tors. eta vs tors. theta energy: -168.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2089.935311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.935311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.935311 (E_RNA) where: Base-Base interactions energy: -1408.912 where: short stacking energy: -612.633 Base-Backbone interact. energy: -2.726 local terms energy: -678.297929 where: bonds (distance) C4'-P energy: -143.560 bonds (distance) P-C4' energy: -125.022 flat angles C4'-P-C4' energy: -145.229 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: -181.975 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: 4, replica: 8 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1960.131477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.131477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.131477 (E_RNA) where: Base-Base interactions energy: -1322.762 where: short stacking energy: -615.642 Base-Backbone interact. energy: -3.647 local terms energy: -633.722841 where: bonds (distance) C4'-P energy: -116.078 bonds (distance) P-C4' energy: -122.186 flat angles C4'-P-C4' energy: -150.058 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -168.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1853.043756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.043756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.043756 (E_RNA) where: Base-Base interactions energy: -1242.151 where: short stacking energy: -529.740 Base-Backbone interact. energy: -3.245 local terms energy: -607.648209 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -116.429 flat angles C4'-P-C4' energy: -130.204 flat angles P-C4'-P energy: -96.504 tors. eta vs tors. theta energy: -140.315 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: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1526.132941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.132941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.132941 (E_RNA) where: Base-Base interactions energy: -966.339 where: short stacking energy: -443.707 Base-Backbone interact. energy: -0.937 local terms energy: -558.856880 where: bonds (distance) C4'-P energy: -108.454 bonds (distance) P-C4' energy: -125.155 flat angles C4'-P-C4' energy: -138.453 flat angles P-C4'-P energy: -77.569 tors. eta vs tors. theta energy: -109.227 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: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1351.862082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.862082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.862082 (E_RNA) where: Base-Base interactions energy: -870.469 where: short stacking energy: -379.949 Base-Backbone interact. energy: 1.317 local terms energy: -482.709685 where: bonds (distance) C4'-P energy: -113.878 bonds (distance) P-C4' energy: -119.809 flat angles C4'-P-C4' energy: -117.263 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -67.210 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: 1 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1134.195455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.195455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.195455 (E_RNA) where: Base-Base interactions energy: -693.227 where: short stacking energy: -341.561 Base-Backbone interact. energy: -1.235 local terms energy: -439.733465 where: bonds (distance) C4'-P energy: -109.044 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -112.249 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -61.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -978.362946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.362946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.362946 (E_RNA) where: Base-Base interactions energy: -575.430 where: short stacking energy: -266.011 Base-Backbone interact. energy: -2.613 local terms energy: -400.319843 where: bonds (distance) C4'-P energy: -96.037 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -90.461 flat angles P-C4'-P energy: -71.429 tors. eta vs tors. theta energy: -26.075 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: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -734.227417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.227417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.227417 (E_RNA) where: Base-Base interactions energy: -363.242 where: short stacking energy: -201.369 Base-Backbone interact. energy: 0.605 local terms energy: -371.590216 where: bonds (distance) C4'-P energy: -91.581 bonds (distance) P-C4' energy: -109.240 flat angles C4'-P-C4' energy: -106.548 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -10.142 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: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2291.887527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.887527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.887527 (E_RNA) where: Base-Base interactions energy: -1558.550 where: short stacking energy: -660.492 Base-Backbone interact. energy: -2.801 local terms energy: -730.535709 where: bonds (distance) C4'-P energy: -137.143 bonds (distance) P-C4' energy: -138.471 flat angles C4'-P-C4' energy: -154.390 flat angles P-C4'-P energy: -112.672 tors. eta vs tors. theta energy: -187.859 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: 130 Temperature: 0.950000 Total energy: -2153.088787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.088787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.088787 (E_RNA) where: Base-Base interactions energy: -1472.737 where: short stacking energy: -612.398 Base-Backbone interact. energy: -4.188 local terms energy: -676.163715 where: bonds (distance) C4'-P energy: -136.112 bonds (distance) P-C4' energy: -128.201 flat angles C4'-P-C4' energy: -148.254 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -170.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2107.159990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.159990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.159990 (E_RNA) where: Base-Base interactions energy: -1434.922 where: short stacking energy: -619.150 Base-Backbone interact. energy: -3.500 local terms energy: -668.737427 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -140.939 flat angles C4'-P-C4' energy: -141.474 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -179.201 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: 4, replica: 8 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1978.541948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.541948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.541948 (E_RNA) where: Base-Base interactions energy: -1318.050 where: short stacking energy: -580.002 Base-Backbone interact. energy: -2.878 local terms energy: -657.614120 where: bonds (distance) C4'-P energy: -107.947 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -107.227 tors. eta vs tors. theta energy: -170.741 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: 130 Temperature: 1.100000 Total energy: -1847.858833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.858833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.858833 (E_RNA) where: Base-Base interactions energy: -1252.005 where: short stacking energy: -529.797 Base-Backbone interact. energy: -4.505 local terms energy: -591.348970 where: bonds (distance) C4'-P energy: -118.734 bonds (distance) P-C4' energy: -134.582 flat angles C4'-P-C4' energy: -126.875 flat angles P-C4'-P energy: -81.538 tors. eta vs tors. theta energy: -129.620 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: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1561.844492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.844492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.844492 (E_RNA) where: Base-Base interactions energy: -990.523 where: short stacking energy: -454.894 Base-Backbone interact. energy: -0.546 local terms energy: -570.775965 where: bonds (distance) C4'-P energy: -104.277 bonds (distance) P-C4' energy: -127.226 flat angles C4'-P-C4' energy: -138.451 flat angles P-C4'-P energy: -81.082 tors. eta vs tors. theta energy: -119.740 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: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1530.714642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.714642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.714642 (E_RNA) where: Base-Base interactions energy: -1019.364 where: short stacking energy: -448.271 Base-Backbone interact. energy: -2.942 local terms energy: -508.408064 where: bonds (distance) C4'-P energy: -104.129 bonds (distance) P-C4' energy: -101.331 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -114.255 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: 8, replica: 1 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -997.617150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.617150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.617150 (E_RNA) where: Base-Base interactions energy: -548.852 where: short stacking energy: -300.023 Base-Backbone interact. energy: -0.008 local terms energy: -448.757568 where: bonds (distance) C4'-P energy: -120.015 bonds (distance) P-C4' energy: -110.638 flat angles C4'-P-C4' energy: -106.269 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -40.895 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: 6 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -917.797091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.797091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.797091 (E_RNA) where: Base-Base interactions energy: -480.224 where: short stacking energy: -249.662 Base-Backbone interact. energy: 0.735 local terms energy: -438.308358 where: bonds (distance) C4'-P energy: -118.981 bonds (distance) P-C4' energy: -118.464 flat angles C4'-P-C4' energy: -103.018 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -31.612 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: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -677.979976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.979976 (E_RNA) where: Base-Base interactions energy: -311.323 where: short stacking energy: -183.833 Base-Backbone interact. energy: 1.716 local terms energy: -368.372622 where: bonds (distance) C4'-P energy: -80.474 bonds (distance) P-C4' energy: -128.265 flat angles C4'-P-C4' energy: -110.414 flat angles P-C4'-P energy: -55.958 tors. eta vs tors. theta energy: 6.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2293.246223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.246223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.246223 (E_RNA) where: Base-Base interactions energy: -1569.133 where: short stacking energy: -665.947 Base-Backbone interact. energy: -2.724 local terms energy: -721.389313 where: bonds (distance) C4'-P energy: -142.861 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -154.831 flat angles P-C4'-P energy: -98.945 tors. eta vs tors. theta energy: -190.887 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: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2184.462546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.462546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.462546 (E_RNA) where: Base-Base interactions energy: -1494.858 where: short stacking energy: -623.700 Base-Backbone interact. energy: -2.240 local terms energy: -687.364393 where: bonds (distance) C4'-P energy: -137.972 bonds (distance) P-C4' energy: -125.369 flat angles C4'-P-C4' energy: -154.243 flat angles P-C4'-P energy: -82.842 tors. eta vs tors. theta energy: -186.939 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: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2139.367384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.367384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.367384 (E_RNA) where: Base-Base interactions energy: -1448.323 where: short stacking energy: -620.077 Base-Backbone interact. energy: -6.928 local terms energy: -684.115827 where: bonds (distance) C4'-P energy: -129.163 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -138.632 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -188.832 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: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1997.064735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.064735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.064735 (E_RNA) where: Base-Base interactions energy: -1329.981 where: short stacking energy: -551.675 Base-Backbone interact. energy: -5.382 local terms energy: -661.701515 where: bonds (distance) C4'-P energy: -120.056 bonds (distance) P-C4' energy: -145.153 flat angles C4'-P-C4' energy: -141.563 flat angles P-C4'-P energy: -87.007 tors. eta vs tors. theta energy: -167.921 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1833.187321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.187321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.187321 (E_RNA) where: Base-Base interactions energy: -1248.006 where: short stacking energy: -534.089 Base-Backbone interact. energy: 1.664 local terms energy: -586.845637 where: bonds (distance) C4'-P energy: -122.605 bonds (distance) P-C4' energy: -114.951 flat angles C4'-P-C4' energy: -141.074 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -136.163 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: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1630.744317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.744317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.744317 (E_RNA) where: Base-Base interactions energy: -1054.973 where: short stacking energy: -455.482 Base-Backbone interact. energy: 1.839 local terms energy: -577.610438 where: bonds (distance) C4'-P energy: -105.120 bonds (distance) P-C4' energy: -121.966 flat angles C4'-P-C4' energy: -125.700 flat angles P-C4'-P energy: -97.437 tors. eta vs tors. theta energy: -127.387 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1486.811279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.811279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.811279 (E_RNA) where: Base-Base interactions energy: -950.250 where: short stacking energy: -400.520 Base-Backbone interact. energy: -2.908 local terms energy: -533.652765 where: bonds (distance) C4'-P energy: -113.447 bonds (distance) P-C4' energy: -121.859 flat angles C4'-P-C4' energy: -125.282 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: -95.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1062.876839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.876839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.876839 (E_RNA) where: Base-Base interactions energy: -638.284 where: short stacking energy: -320.161 Base-Backbone interact. energy: -1.794 local terms energy: -422.798915 where: bonds (distance) C4'-P energy: -118.437 bonds (distance) P-C4' energy: -112.772 flat angles C4'-P-C4' energy: -100.396 flat angles P-C4'-P energy: -55.632 tors. eta vs tors. theta energy: -35.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -949.760162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.760162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.760162 (E_RNA) where: Base-Base interactions energy: -548.306 where: short stacking energy: -291.710 Base-Backbone interact. energy: -1.318 local terms energy: -400.136030 where: bonds (distance) C4'-P energy: -110.496 bonds (distance) P-C4' energy: -99.259 flat angles C4'-P-C4' energy: -114.404 flat angles P-C4'-P energy: -41.908 tors. eta vs tors. theta energy: -34.069 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: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -714.229828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.229828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.229828 (E_RNA) where: Base-Base interactions energy: -361.531 where: short stacking energy: -211.722 Base-Backbone interact. energy: -0.371 local terms energy: -352.328626 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -107.057 flat angles C4'-P-C4' energy: -96.121 flat angles P-C4'-P energy: -48.355 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2299.307404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.307404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.307404 (E_RNA) where: Base-Base interactions energy: -1580.398 where: short stacking energy: -658.370 Base-Backbone interact. energy: -0.619 local terms energy: -718.290114 where: bonds (distance) C4'-P energy: -135.402 bonds (distance) P-C4' energy: -136.393 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -106.391 tors. eta vs tors. theta energy: -185.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2196.558239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.558239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.558239 (E_RNA) where: Base-Base interactions energy: -1504.238 where: short stacking energy: -610.893 Base-Backbone interact. energy: -3.507 local terms energy: -688.812943 where: bonds (distance) C4'-P energy: -123.701 bonds (distance) P-C4' energy: -138.829 flat angles C4'-P-C4' energy: -146.569 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -176.796 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: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2108.095300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.095300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.095300 (E_RNA) where: Base-Base interactions energy: -1423.181 where: short stacking energy: -620.763 Base-Backbone interact. energy: -2.397 local terms energy: -682.517190 where: bonds (distance) C4'-P energy: -126.630 bonds (distance) P-C4' energy: -129.462 flat angles C4'-P-C4' energy: -142.442 flat angles P-C4'-P energy: -94.804 tors. eta vs tors. theta energy: -189.180 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: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2007.886997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.886997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.886997 (E_RNA) where: Base-Base interactions energy: -1349.395 where: short stacking energy: -565.934 Base-Backbone interact. energy: -2.596 local terms energy: -655.895353 where: bonds (distance) C4'-P energy: -124.710 bonds (distance) P-C4' energy: -134.048 flat angles C4'-P-C4' energy: -123.759 flat angles P-C4'-P energy: -105.809 tors. eta vs tors. theta energy: -167.569 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: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1812.621173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.621173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.621173 (E_RNA) where: Base-Base interactions energy: -1211.724 where: short stacking energy: -523.994 Base-Backbone interact. energy: -2.436 local terms energy: -598.461341 where: bonds (distance) C4'-P energy: -127.144 bonds (distance) P-C4' energy: -127.076 flat angles C4'-P-C4' energy: -129.137 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -139.777 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: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1709.820814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.820814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.820814 (E_RNA) where: Base-Base interactions energy: -1109.187 where: short stacking energy: -488.257 Base-Backbone interact. energy: 2.648 local terms energy: -603.282641 where: bonds (distance) C4'-P energy: -118.171 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -133.188 flat angles P-C4'-P energy: -96.588 tors. eta vs tors. theta energy: -137.635 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: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1383.583581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.583581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.583581 (E_RNA) where: Base-Base interactions energy: -880.790 where: short stacking energy: -372.257 Base-Backbone interact. energy: -1.913 local terms energy: -500.880422 where: bonds (distance) C4'-P energy: -104.965 bonds (distance) P-C4' energy: -119.080 flat angles C4'-P-C4' energy: -132.250 flat angles P-C4'-P energy: -66.865 tors. eta vs tors. theta energy: -77.720 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: 1 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1040.164525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.164525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.164525 (E_RNA) where: Base-Base interactions energy: -574.854 where: short stacking energy: -288.013 Base-Backbone interact. energy: 3.456 local terms energy: -468.766395 where: bonds (distance) C4'-P energy: -105.717 bonds (distance) P-C4' energy: -120.772 flat angles C4'-P-C4' energy: -122.791 flat angles P-C4'-P energy: -70.413 tors. eta vs tors. theta energy: -49.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -922.725561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.725561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.725561 (E_RNA) where: Base-Base interactions energy: -543.730 where: short stacking energy: -271.748 Base-Backbone interact. energy: 0.946 local terms energy: -379.941516 where: bonds (distance) C4'-P energy: -108.276 bonds (distance) P-C4' energy: -95.845 flat angles C4'-P-C4' energy: -98.857 flat angles P-C4'-P energy: -56.487 tors. eta vs tors. theta energy: -20.476 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: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -681.091135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.091135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.091135 (E_RNA) where: Base-Base interactions energy: -314.490 where: short stacking energy: -212.566 Base-Backbone interact. energy: -0.172 local terms energy: -366.429051 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -107.810 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -57.073 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2289.476405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.476405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.476405 (E_RNA) where: Base-Base interactions energy: -1572.820 where: short stacking energy: -641.952 Base-Backbone interact. energy: -3.631 local terms energy: -713.024671 where: bonds (distance) C4'-P energy: -135.627 bonds (distance) P-C4' energy: -130.602 flat angles C4'-P-C4' energy: -148.575 flat angles P-C4'-P energy: -110.202 tors. eta vs tors. theta energy: -188.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2182.381535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.381535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.381535 (E_RNA) where: Base-Base interactions energy: -1515.010 where: short stacking energy: -614.924 Base-Backbone interact. energy: -1.314 local terms energy: -666.057917 where: bonds (distance) C4'-P energy: -128.082 bonds (distance) P-C4' energy: -126.516 flat angles C4'-P-C4' energy: -153.692 flat angles P-C4'-P energy: -88.973 tors. eta vs tors. theta energy: -168.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2110.992752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.992752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.992752 (E_RNA) where: Base-Base interactions energy: -1452.365 where: short stacking energy: -616.708 Base-Backbone interact. energy: -3.811 local terms energy: -654.816458 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -114.810 flat angles C4'-P-C4' energy: -140.821 flat angles P-C4'-P energy: -99.589 tors. eta vs tors. theta energy: -185.951 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: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1980.287313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.287313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.287313 (E_RNA) where: Base-Base interactions energy: -1338.513 where: short stacking energy: -579.186 Base-Backbone interact. energy: -3.598 local terms energy: -638.175881 where: bonds (distance) C4'-P energy: -122.537 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -149.553 flat angles P-C4'-P energy: -87.298 tors. eta vs tors. theta energy: -160.175 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: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1771.124949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.124949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.124949 (E_RNA) where: Base-Base interactions energy: -1193.681 where: short stacking energy: -506.234 Base-Backbone interact. energy: 0.497 local terms energy: -577.941180 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -121.458 flat angles C4'-P-C4' energy: -120.567 flat angles P-C4'-P energy: -93.707 tors. eta vs tors. theta energy: -124.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1674.455295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.455295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.455295 (E_RNA) where: Base-Base interactions energy: -1077.642 where: short stacking energy: -504.560 Base-Backbone interact. energy: 1.016 local terms energy: -597.829038 where: bonds (distance) C4'-P energy: -139.136 bonds (distance) P-C4' energy: -122.785 flat angles C4'-P-C4' energy: -112.228 flat angles P-C4'-P energy: -86.908 tors. eta vs tors. theta energy: -136.773 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: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1426.215861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.215861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.215861 (E_RNA) where: Base-Base interactions energy: -899.065 where: short stacking energy: -414.323 Base-Backbone interact. energy: -1.005 local terms energy: -526.145138 where: bonds (distance) C4'-P energy: -115.323 bonds (distance) P-C4' energy: -121.385 flat angles C4'-P-C4' energy: -116.045 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -91.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1107.577039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.577039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.577039 (E_RNA) where: Base-Base interactions energy: -659.433 where: short stacking energy: -318.381 Base-Backbone interact. energy: 2.469 local terms energy: -450.612715 where: bonds (distance) C4'-P energy: -99.891 bonds (distance) P-C4' energy: -109.772 flat angles C4'-P-C4' energy: -110.896 flat angles P-C4'-P energy: -76.309 tors. eta vs tors. theta energy: -53.745 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: 6 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -965.246326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.246326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.246326 (E_RNA) where: Base-Base interactions energy: -544.750 where: short stacking energy: -290.913 Base-Backbone interact. energy: -1.883 local terms energy: -418.613781 where: bonds (distance) C4'-P energy: -99.585 bonds (distance) P-C4' energy: -123.453 flat angles C4'-P-C4' energy: -99.330 flat angles P-C4'-P energy: -67.870 tors. eta vs tors. theta energy: -28.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -646.952005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.952005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.952005 (E_RNA) where: Base-Base interactions energy: -288.586 where: short stacking energy: -181.887 Base-Backbone interact. energy: 2.639 local terms energy: -361.005163 where: bonds (distance) C4'-P energy: -100.482 bonds (distance) P-C4' energy: -110.376 flat angles C4'-P-C4' energy: -97.490 flat angles P-C4'-P energy: -63.682 tors. eta vs tors. theta energy: 11.024 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: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2308.344814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.344814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.344814 (E_RNA) where: Base-Base interactions energy: -1581.840 where: short stacking energy: -644.980 Base-Backbone interact. energy: -0.054 local terms energy: -726.450287 where: bonds (distance) C4'-P energy: -144.663 bonds (distance) P-C4' energy: -131.094 flat angles C4'-P-C4' energy: -144.423 flat angles P-C4'-P energy: -112.238 tors. eta vs tors. theta energy: -194.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2221.906091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.906091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.906091 (E_RNA) where: Base-Base interactions energy: -1555.368 where: short stacking energy: -611.989 Base-Backbone interact. energy: -6.030 local terms energy: -660.508822 where: bonds (distance) C4'-P energy: -109.151 bonds (distance) P-C4' energy: -145.457 flat angles C4'-P-C4' energy: -148.748 flat angles P-C4'-P energy: -89.698 tors. eta vs tors. theta energy: -167.456 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2092.743297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.743297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.743297 (E_RNA) where: Base-Base interactions energy: -1405.484 where: short stacking energy: -644.390 Base-Backbone interact. energy: -2.821 local terms energy: -684.438074 where: bonds (distance) C4'-P energy: -121.154 bonds (distance) P-C4' energy: -141.388 flat angles C4'-P-C4' energy: -141.174 flat angles P-C4'-P energy: -83.749 tors. eta vs tors. theta energy: -196.973 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: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1994.800470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.800470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.800470 (E_RNA) where: Base-Base interactions energy: -1310.032 where: short stacking energy: -578.759 Base-Backbone interact. energy: -3.915 local terms energy: -680.852951 where: bonds (distance) C4'-P energy: -134.201 bonds (distance) P-C4' energy: -131.987 flat angles C4'-P-C4' energy: -146.056 flat angles P-C4'-P energy: -82.205 tors. eta vs tors. theta energy: -186.404 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: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1809.480232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.480232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.480232 (E_RNA) where: Base-Base interactions energy: -1230.342 where: short stacking energy: -526.465 Base-Backbone interact. energy: -0.032 local terms energy: -579.106821 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -120.047 flat angles C4'-P-C4' energy: -138.051 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -129.650 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: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1736.906985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.906985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.906985 (E_RNA) where: Base-Base interactions energy: -1156.860 where: short stacking energy: -500.313 Base-Backbone interact. energy: 1.936 local terms energy: -581.983591 where: bonds (distance) C4'-P energy: -116.996 bonds (distance) P-C4' energy: -132.316 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -122.227 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: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1469.610949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.610949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.610949 (E_RNA) where: Base-Base interactions energy: -951.037 where: short stacking energy: -444.634 Base-Backbone interact. energy: -2.936 local terms energy: -515.638773 where: bonds (distance) C4'-P energy: -100.572 bonds (distance) P-C4' energy: -115.290 flat angles C4'-P-C4' energy: -122.211 flat angles P-C4'-P energy: -79.788 tors. eta vs tors. theta energy: -97.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1087.681570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.681570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.681570 (E_RNA) where: Base-Base interactions energy: -659.708 where: short stacking energy: -336.089 Base-Backbone interact. energy: 5.123 local terms energy: -433.096927 where: bonds (distance) C4'-P energy: -94.954 bonds (distance) P-C4' energy: -109.258 flat angles C4'-P-C4' energy: -113.052 flat angles P-C4'-P energy: -54.046 tors. eta vs tors. theta energy: -61.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -945.665437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.665437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.665437 (E_RNA) where: Base-Base interactions energy: -557.386 where: short stacking energy: -269.045 Base-Backbone interact. energy: -0.435 local terms energy: -387.845038 where: bonds (distance) C4'-P energy: -101.501 bonds (distance) P-C4' energy: -105.050 flat angles C4'-P-C4' energy: -97.652 flat angles P-C4'-P energy: -66.782 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -705.647566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.647566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.647566 (E_RNA) where: Base-Base interactions energy: -364.512 where: short stacking energy: -220.893 Base-Backbone interact. energy: 5.024 local terms energy: -346.159432 where: bonds (distance) C4'-P energy: -108.059 bonds (distance) P-C4' energy: -110.311 flat angles C4'-P-C4' energy: -86.901 flat angles P-C4'-P energy: -43.758 tors. eta vs tors. theta energy: 2.870 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: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2339.213983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.213983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.213983 (E_RNA) where: Base-Base interactions energy: -1589.909 where: short stacking energy: -672.119 Base-Backbone interact. energy: -2.151 local terms energy: -747.154059 where: bonds (distance) C4'-P energy: -138.192 bonds (distance) P-C4' energy: -140.447 flat angles C4'-P-C4' energy: -165.874 flat angles P-C4'-P energy: -107.788 tors. eta vs tors. theta energy: -194.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2211.241723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.241723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.241723 (E_RNA) where: Base-Base interactions energy: -1541.006 where: short stacking energy: -620.747 Base-Backbone interact. energy: 1.609 local terms energy: -671.844605 where: bonds (distance) C4'-P energy: -120.540 bonds (distance) P-C4' energy: -135.444 flat angles C4'-P-C4' energy: -152.583 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -169.956 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: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2084.846464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.846464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.846464 (E_RNA) where: Base-Base interactions energy: -1399.854 where: short stacking energy: -617.641 Base-Backbone interact. energy: -3.411 local terms energy: -681.580891 where: bonds (distance) C4'-P energy: -118.090 bonds (distance) P-C4' energy: -136.531 flat angles C4'-P-C4' energy: -143.011 flat angles P-C4'-P energy: -98.933 tors. eta vs tors. theta energy: -185.015 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: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1992.460453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.460453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.460453 (E_RNA) where: Base-Base interactions energy: -1372.456 where: short stacking energy: -619.421 Base-Backbone interact. energy: -0.491 local terms energy: -619.512979 where: bonds (distance) C4'-P energy: -134.151 bonds (distance) P-C4' energy: -89.903 flat angles C4'-P-C4' energy: -131.779 flat angles P-C4'-P energy: -80.034 tors. eta vs tors. theta energy: -183.645 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: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1845.231624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.231624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.231624 (E_RNA) where: Base-Base interactions energy: -1233.018 where: short stacking energy: -533.314 Base-Backbone interact. energy: 0.875 local terms energy: -613.088779 where: bonds (distance) C4'-P energy: -128.224 bonds (distance) P-C4' energy: -128.351 flat angles C4'-P-C4' energy: -138.333 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -135.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1730.104408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.104408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.104408 (E_RNA) where: Base-Base interactions energy: -1137.022 where: short stacking energy: -492.265 Base-Backbone interact. energy: 1.239 local terms energy: -594.322206 where: bonds (distance) C4'-P energy: -115.049 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -137.802 flat angles P-C4'-P energy: -78.980 tors. eta vs tors. theta energy: -143.401 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: 7, replica: 2 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1451.373844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.373844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.373844 (E_RNA) where: Base-Base interactions energy: -931.573 where: short stacking energy: -435.923 Base-Backbone interact. energy: -1.332 local terms energy: -518.469339 where: bonds (distance) C4'-P energy: -97.699 bonds (distance) P-C4' energy: -103.620 flat angles C4'-P-C4' energy: -129.523 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -107.131 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: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1047.371053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.371053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.371053 (E_RNA) where: Base-Base interactions energy: -625.229 where: short stacking energy: -311.552 Base-Backbone interact. energy: -0.646 local terms energy: -421.496549 where: bonds (distance) C4'-P energy: -104.883 bonds (distance) P-C4' energy: -108.570 flat angles C4'-P-C4' energy: -84.298 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: -60.485 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: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1013.686457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.686457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.686457 (E_RNA) where: Base-Base interactions energy: -587.859 where: short stacking energy: -294.797 Base-Backbone interact. energy: 4.358 local terms energy: -430.185364 where: bonds (distance) C4'-P energy: -104.014 bonds (distance) P-C4' energy: -110.582 flat angles C4'-P-C4' energy: -98.387 flat angles P-C4'-P energy: -78.401 tors. eta vs tors. theta energy: -38.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -654.058907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.058907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.058907 (E_RNA) where: Base-Base interactions energy: -296.116 where: short stacking energy: -180.946 Base-Backbone interact. energy: -0.032 local terms energy: -357.911299 where: bonds (distance) C4'-P energy: -100.961 bonds (distance) P-C4' energy: -122.109 flat angles C4'-P-C4' energy: -91.348 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: 19.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2349.717239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.717239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.717239 (E_RNA) where: Base-Base interactions energy: -1623.262 where: short stacking energy: -694.311 Base-Backbone interact. energy: 0.447 local terms energy: -726.901974 where: bonds (distance) C4'-P energy: -144.043 bonds (distance) P-C4' energy: -127.430 flat angles C4'-P-C4' energy: -153.902 flat angles P-C4'-P energy: -95.155 tors. eta vs tors. theta energy: -206.372 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: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2204.350601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.350601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.350601 (E_RNA) where: Base-Base interactions energy: -1520.813 where: short stacking energy: -623.298 Base-Backbone interact. energy: 2.873 local terms energy: -686.410767 where: bonds (distance) C4'-P energy: -134.058 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -139.976 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -179.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2108.796402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.796402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.796402 (E_RNA) where: Base-Base interactions energy: -1433.751 where: short stacking energy: -602.943 Base-Backbone interact. energy: -0.982 local terms energy: -674.063323 where: bonds (distance) C4'-P energy: -126.343 bonds (distance) P-C4' energy: -118.363 flat angles C4'-P-C4' energy: -151.586 flat angles P-C4'-P energy: -93.765 tors. eta vs tors. theta energy: -184.007 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: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1962.712893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.712893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.712893 (E_RNA) where: Base-Base interactions energy: -1306.227 where: short stacking energy: -592.463 Base-Backbone interact. energy: -2.765 local terms energy: -653.721126 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -130.914 flat angles C4'-P-C4' energy: -138.829 flat angles P-C4'-P energy: -95.099 tors. eta vs tors. theta energy: -172.875 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: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1846.878341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.878341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.878341 (E_RNA) where: Base-Base interactions energy: -1256.445 where: short stacking energy: -533.727 Base-Backbone interact. energy: -4.343 local terms energy: -586.090439 where: bonds (distance) C4'-P energy: -127.628 bonds (distance) P-C4' energy: -88.570 flat angles C4'-P-C4' energy: -144.384 flat angles P-C4'-P energy: -91.581 tors. eta vs tors. theta energy: -133.927 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: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1707.587625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.587625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.587625 (E_RNA) where: Base-Base interactions energy: -1147.643 where: short stacking energy: -520.996 Base-Backbone interact. energy: -0.310 local terms energy: -559.633936 where: bonds (distance) C4'-P energy: -115.024 bonds (distance) P-C4' energy: -106.883 flat angles C4'-P-C4' energy: -128.556 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -124.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1414.294623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.294623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.294623 (E_RNA) where: Base-Base interactions energy: -877.775 where: short stacking energy: -400.459 Base-Backbone interact. energy: -2.032 local terms energy: -534.487767 where: bonds (distance) C4'-P energy: -107.149 bonds (distance) P-C4' energy: -129.439 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -97.255 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: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1073.310617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.310617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.310617 (E_RNA) where: Base-Base interactions energy: -646.911 where: short stacking energy: -331.494 Base-Backbone interact. energy: -1.939 local terms energy: -424.461283 where: bonds (distance) C4'-P energy: -92.696 bonds (distance) P-C4' energy: -98.864 flat angles C4'-P-C4' energy: -112.528 flat angles P-C4'-P energy: -66.402 tors. eta vs tors. theta energy: -53.971 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: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1027.372637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.372637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.372637 (E_RNA) where: Base-Base interactions energy: -627.171 where: short stacking energy: -328.012 Base-Backbone interact. energy: -2.480 local terms energy: -397.721526 where: bonds (distance) C4'-P energy: -105.600 bonds (distance) P-C4' energy: -101.412 flat angles C4'-P-C4' energy: -96.261 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -34.687 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: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -677.851405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.851405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.851405 (E_RNA) where: Base-Base interactions energy: -335.826 where: short stacking energy: -201.105 Base-Backbone interact. energy: 3.053 local terms energy: -345.078504 where: bonds (distance) C4'-P energy: -95.011 bonds (distance) P-C4' energy: -110.944 flat angles C4'-P-C4' energy: -88.998 flat angles P-C4'-P energy: -45.039 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2310.093106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.093106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.093106 (E_RNA) where: Base-Base interactions energy: -1585.496 where: short stacking energy: -665.969 Base-Backbone interact. energy: -1.773 local terms energy: -722.823443 where: bonds (distance) C4'-P energy: -130.626 bonds (distance) P-C4' energy: -131.002 flat angles C4'-P-C4' energy: -148.587 flat angles P-C4'-P energy: -108.248 tors. eta vs tors. theta energy: -204.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2227.314545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.314545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.314545 (E_RNA) where: Base-Base interactions energy: -1567.608 where: short stacking energy: -628.708 Base-Backbone interact. energy: -2.563 local terms energy: -657.144189 where: bonds (distance) C4'-P energy: -118.809 bonds (distance) P-C4' energy: -131.047 flat angles C4'-P-C4' energy: -140.172 flat angles P-C4'-P energy: -93.709 tors. eta vs tors. theta energy: -173.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2109.042434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.042434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.042434 (E_RNA) where: Base-Base interactions energy: -1434.596 where: short stacking energy: -626.792 Base-Backbone interact. energy: -4.211 local terms energy: -670.234681 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -127.557 flat angles C4'-P-C4' energy: -152.288 flat angles P-C4'-P energy: -96.783 tors. eta vs tors. theta energy: -190.415 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: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1958.638352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.638352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.638352 (E_RNA) where: Base-Base interactions energy: -1321.563 where: short stacking energy: -570.861 Base-Backbone interact. energy: -5.471 local terms energy: -631.604588 where: bonds (distance) C4'-P energy: -111.768 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -143.772 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -161.831 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1799.535409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.535409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.535409 (E_RNA) where: Base-Base interactions energy: -1228.057 where: short stacking energy: -507.256 Base-Backbone interact. energy: -3.729 local terms energy: -567.749156 where: bonds (distance) C4'-P energy: -104.776 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -127.344 flat angles P-C4'-P energy: -90.193 tors. eta vs tors. theta energy: -133.602 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: 6, replica: 7 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1762.232417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.232417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.232417 (E_RNA) where: Base-Base interactions energy: -1196.183 where: short stacking energy: -502.622 Base-Backbone interact. energy: -2.323 local terms energy: -563.726681 where: bonds (distance) C4'-P energy: -122.352 bonds (distance) P-C4' energy: -115.486 flat angles C4'-P-C4' energy: -118.295 flat angles P-C4'-P energy: -75.478 tors. eta vs tors. theta energy: -132.115 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: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1445.830243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.830243 (E_RNA) where: Base-Base interactions energy: -936.915 where: short stacking energy: -424.035 Base-Backbone interact. energy: -3.564 local terms energy: -505.351771 where: bonds (distance) C4'-P energy: -108.101 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -90.541 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: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1087.144619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.144619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.144619 (E_RNA) where: Base-Base interactions energy: -642.047 where: short stacking energy: -319.980 Base-Backbone interact. energy: 0.343 local terms energy: -445.440854 where: bonds (distance) C4'-P energy: -113.978 bonds (distance) P-C4' energy: -124.481 flat angles C4'-P-C4' energy: -105.210 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -34.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -950.283120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.283120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.283120 (E_RNA) where: Base-Base interactions energy: -547.666 where: short stacking energy: -258.092 Base-Backbone interact. energy: -1.896 local terms energy: -400.721667 where: bonds (distance) C4'-P energy: -95.560 bonds (distance) P-C4' energy: -114.381 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -60.292 tors. eta vs tors. theta energy: -26.886 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: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -689.803496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.803496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.803496 (E_RNA) where: Base-Base interactions energy: -338.457 where: short stacking energy: -185.747 Base-Backbone interact. energy: -3.300 local terms energy: -348.046960 where: bonds (distance) C4'-P energy: -87.859 bonds (distance) P-C4' energy: -111.258 flat angles C4'-P-C4' energy: -88.256 flat angles P-C4'-P energy: -59.276 tors. eta vs tors. theta energy: -1.398 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: 138 Temperature: 0.900000 Total energy: -2331.011074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.011074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.011074 (E_RNA) where: Base-Base interactions energy: -1590.626 where: short stacking energy: -675.271 Base-Backbone interact. energy: -4.060 local terms energy: -736.325790 where: bonds (distance) C4'-P energy: -128.753 bonds (distance) P-C4' energy: -131.117 flat angles C4'-P-C4' energy: -158.464 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -214.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2241.186073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.186073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.186073 (E_RNA) where: Base-Base interactions energy: -1578.840 where: short stacking energy: -642.408 Base-Backbone interact. energy: -3.602 local terms energy: -658.743971 where: bonds (distance) C4'-P energy: -134.003 bonds (distance) P-C4' energy: -115.946 flat angles C4'-P-C4' energy: -135.585 flat angles P-C4'-P energy: -91.653 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: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2092.805294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.805294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.805294 (E_RNA) where: Base-Base interactions energy: -1399.529 where: short stacking energy: -612.923 Base-Backbone interact. energy: -5.247 local terms energy: -688.029365 where: bonds (distance) C4'-P energy: -130.013 bonds (distance) P-C4' energy: -132.266 flat angles C4'-P-C4' energy: -139.052 flat angles P-C4'-P energy: -109.326 tors. eta vs tors. theta energy: -177.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1945.818339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.818339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.818339 (E_RNA) where: Base-Base interactions energy: -1328.310 where: short stacking energy: -568.519 Base-Backbone interact. energy: 1.333 local terms energy: -618.842015 where: bonds (distance) C4'-P energy: -116.973 bonds (distance) P-C4' energy: -115.998 flat angles C4'-P-C4' energy: -138.788 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -158.893 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: 138 Temperature: 1.100000 Total energy: -1849.308148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.308148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.308148 (E_RNA) where: Base-Base interactions energy: -1228.750 where: short stacking energy: -556.841 Base-Backbone interact. energy: -0.290 local terms energy: -620.267599 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -118.285 flat angles C4'-P-C4' energy: -121.456 flat angles P-C4'-P energy: -97.845 tors. eta vs tors. theta energy: -156.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1780.751580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.751580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.751580 (E_RNA) where: Base-Base interactions energy: -1153.538 where: short stacking energy: -490.549 Base-Backbone interact. energy: 1.505 local terms energy: -628.718377 where: bonds (distance) C4'-P energy: -106.293 bonds (distance) P-C4' energy: -134.866 flat angles C4'-P-C4' energy: -137.555 flat angles P-C4'-P energy: -101.642 tors. eta vs tors. theta energy: -148.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1456.107724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.107724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.107724 (E_RNA) where: Base-Base interactions energy: -950.559 where: short stacking energy: -430.336 Base-Backbone interact. energy: 1.721 local terms energy: -507.270389 where: bonds (distance) C4'-P energy: -101.918 bonds (distance) P-C4' energy: -109.141 flat angles C4'-P-C4' energy: -125.274 flat angles P-C4'-P energy: -81.105 tors. eta vs tors. theta energy: -89.832 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: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1070.407953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.407953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.407953 (E_RNA) where: Base-Base interactions energy: -615.966 where: short stacking energy: -302.667 Base-Backbone interact. energy: 1.668 local terms energy: -456.109590 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -120.448 flat angles C4'-P-C4' energy: -115.059 flat angles P-C4'-P energy: -60.262 tors. eta vs tors. theta energy: -50.192 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: 9, replica: 6 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -993.569044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.569044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.569044 (E_RNA) where: Base-Base interactions energy: -570.533 where: short stacking energy: -304.002 Base-Backbone interact. energy: 5.058 local terms energy: -428.094501 where: bonds (distance) C4'-P energy: -88.912 bonds (distance) P-C4' energy: -107.389 flat angles C4'-P-C4' energy: -113.361 flat angles P-C4'-P energy: -64.717 tors. eta vs tors. theta energy: -53.715 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: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -762.960374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.960374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.960374 (E_RNA) where: Base-Base interactions energy: -377.852 where: short stacking energy: -225.078 Base-Backbone interact. energy: -2.126 local terms energy: -382.983053 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -103.398 flat angles C4'-P-C4' energy: -95.532 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -20.476 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: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2295.631692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.631692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.631692 (E_RNA) where: Base-Base interactions energy: -1576.777 where: short stacking energy: -670.609 Base-Backbone interact. energy: -4.106 local terms energy: -714.748498 where: bonds (distance) C4'-P energy: -144.912 bonds (distance) P-C4' energy: -131.323 flat angles C4'-P-C4' energy: -143.369 flat angles P-C4'-P energy: -100.217 tors. eta vs tors. theta energy: -194.927 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: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2253.798103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.798103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.798103 (E_RNA) where: Base-Base interactions energy: -1544.741 where: short stacking energy: -608.014 Base-Backbone interact. energy: -3.027 local terms energy: -706.030086 where: bonds (distance) C4'-P energy: -132.482 bonds (distance) P-C4' energy: -143.258 flat angles C4'-P-C4' energy: -146.035 flat angles P-C4'-P energy: -104.844 tors. eta vs tors. theta energy: -179.411 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: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2070.810532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.810532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.810532 (E_RNA) where: Base-Base interactions energy: -1429.500 where: short stacking energy: -598.780 Base-Backbone interact. energy: -0.353 local terms energy: -640.957418 where: bonds (distance) C4'-P energy: -121.760 bonds (distance) P-C4' energy: -107.564 flat angles C4'-P-C4' energy: -152.951 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -173.467 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: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1993.999981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.999981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.999981 (E_RNA) where: Base-Base interactions energy: -1353.178 where: short stacking energy: -584.874 Base-Backbone interact. energy: -3.378 local terms energy: -637.443860 where: bonds (distance) C4'-P energy: -119.825 bonds (distance) P-C4' energy: -127.828 flat angles C4'-P-C4' energy: -140.722 flat angles P-C4'-P energy: -76.544 tors. eta vs tors. theta energy: -172.525 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: 5, replica: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1826.204801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.204801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.204801 (E_RNA) where: Base-Base interactions energy: -1223.142 where: short stacking energy: -555.978 Base-Backbone interact. energy: -0.602 local terms energy: -602.461302 where: bonds (distance) C4'-P energy: -105.687 bonds (distance) P-C4' energy: -128.414 flat angles C4'-P-C4' energy: -138.520 flat angles P-C4'-P energy: -87.692 tors. eta vs tors. theta energy: -142.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1722.253291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.253291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.253291 (E_RNA) where: Base-Base interactions energy: -1160.653 where: short stacking energy: -475.108 Base-Backbone interact. energy: -0.066 local terms energy: -561.533971 where: bonds (distance) C4'-P energy: -117.172 bonds (distance) P-C4' energy: -126.076 flat angles C4'-P-C4' energy: -129.327 flat angles P-C4'-P energy: -68.335 tors. eta vs tors. theta energy: -120.624 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: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1454.672754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.672754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.672754 (E_RNA) where: Base-Base interactions energy: -947.846 where: short stacking energy: -432.602 Base-Backbone interact. energy: 2.017 local terms energy: -508.844693 where: bonds (distance) C4'-P energy: -116.513 bonds (distance) P-C4' energy: -107.643 flat angles C4'-P-C4' energy: -115.858 flat angles P-C4'-P energy: -72.025 tors. eta vs tors. theta energy: -96.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1096.646793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.646793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.646793 (E_RNA) where: Base-Base interactions energy: -626.082 where: short stacking energy: -318.784 Base-Backbone interact. energy: 7.088 local terms energy: -477.652692 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -120.638 flat angles C4'-P-C4' energy: -116.660 flat angles P-C4'-P energy: -66.299 tors. eta vs tors. theta energy: -62.445 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: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -948.389629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.389629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.389629 (E_RNA) where: Base-Base interactions energy: -521.695 where: short stacking energy: -278.998 Base-Backbone interact. energy: -1.453 local terms energy: -425.240867 where: bonds (distance) C4'-P energy: -112.402 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -119.504 flat angles P-C4'-P energy: -57.053 tors. eta vs tors. theta energy: -28.696 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: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -683.908655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.908655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.908655 (E_RNA) where: Base-Base interactions energy: -355.519 where: short stacking energy: -199.015 Base-Backbone interact. energy: 0.151 local terms energy: -328.540574 where: bonds (distance) C4'-P energy: -83.214 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -95.726 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: 6.700 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: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2281.678434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.678434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.678434 (E_RNA) where: Base-Base interactions energy: -1553.732 where: short stacking energy: -660.684 Base-Backbone interact. energy: -0.990 local terms energy: -726.957166 where: bonds (distance) C4'-P energy: -138.342 bonds (distance) P-C4' energy: -138.388 flat angles C4'-P-C4' energy: -152.158 flat angles P-C4'-P energy: -101.635 tors. eta vs tors. theta energy: -196.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2253.261729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.261729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.261729 (E_RNA) where: Base-Base interactions energy: -1565.829 where: short stacking energy: -603.447 Base-Backbone interact. energy: -2.899 local terms energy: -684.533740 where: bonds (distance) C4'-P energy: -119.799 bonds (distance) P-C4' energy: -134.585 flat angles C4'-P-C4' energy: -148.033 flat angles P-C4'-P energy: -105.431 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: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2135.808570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.808570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.808570 (E_RNA) where: Base-Base interactions energy: -1466.176 where: short stacking energy: -646.440 Base-Backbone interact. energy: -2.181 local terms energy: -667.452362 where: bonds (distance) C4'-P energy: -108.404 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -134.102 flat angles P-C4'-P energy: -100.408 tors. eta vs tors. theta energy: -191.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1978.070064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.070064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.070064 (E_RNA) where: Base-Base interactions energy: -1336.296 where: short stacking energy: -600.004 Base-Backbone interact. energy: -3.465 local terms energy: -638.308439 where: bonds (distance) C4'-P energy: -114.819 bonds (distance) P-C4' energy: -111.826 flat angles C4'-P-C4' energy: -145.509 flat angles P-C4'-P energy: -91.989 tors. eta vs tors. theta energy: -174.165 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: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1794.272024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.272024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.272024 (E_RNA) where: Base-Base interactions energy: -1176.253 where: short stacking energy: -536.526 Base-Backbone interact. energy: -2.677 local terms energy: -615.342374 where: bonds (distance) C4'-P energy: -117.092 bonds (distance) P-C4' energy: -127.102 flat angles C4'-P-C4' energy: -145.869 flat angles P-C4'-P energy: -89.806 tors. eta vs tors. theta energy: -135.473 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: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1767.537459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.537459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.537459 (E_RNA) where: Base-Base interactions energy: -1236.332 where: short stacking energy: -513.587 Base-Backbone interact. energy: 0.012 local terms energy: -531.216719 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -137.171 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -121.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1462.665759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.665759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.665759 (E_RNA) where: Base-Base interactions energy: -931.063 where: short stacking energy: -428.132 Base-Backbone interact. energy: -0.927 local terms energy: -530.675762 where: bonds (distance) C4'-P energy: -117.428 bonds (distance) P-C4' energy: -121.701 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -116.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1144.628371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.628371 (E_RNA) where: Base-Base interactions energy: -664.962 where: short stacking energy: -324.136 Base-Backbone interact. energy: -1.871 local terms energy: -477.795086 where: bonds (distance) C4'-P energy: -124.314 bonds (distance) P-C4' energy: -113.543 flat angles C4'-P-C4' energy: -97.242 flat angles P-C4'-P energy: -78.423 tors. eta vs tors. theta energy: -64.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1018.564942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.564942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.564942 (E_RNA) where: Base-Base interactions energy: -579.202 where: short stacking energy: -284.986 Base-Backbone interact. energy: -1.659 local terms energy: -437.704153 where: bonds (distance) C4'-P energy: -105.470 bonds (distance) P-C4' energy: -121.012 flat angles C4'-P-C4' energy: -108.523 flat angles P-C4'-P energy: -70.416 tors. eta vs tors. theta energy: -32.282 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: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -762.735722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.735722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.735722 (E_RNA) where: Base-Base interactions energy: -393.365 where: short stacking energy: -226.274 Base-Backbone interact. energy: 5.604 local terms energy: -374.975415 where: bonds (distance) C4'-P energy: -114.049 bonds (distance) P-C4' energy: -118.005 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -3.370 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: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2319.508357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.508357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.508357 (E_RNA) where: Base-Base interactions energy: -1617.414 where: short stacking energy: -684.748 Base-Backbone interact. energy: -5.162 local terms energy: -696.932644 where: bonds (distance) C4'-P energy: -122.670 bonds (distance) P-C4' energy: -130.971 flat angles C4'-P-C4' energy: -152.674 flat angles P-C4'-P energy: -89.133 tors. eta vs tors. theta energy: -201.484 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: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2186.308882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.308882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.308882 (E_RNA) where: Base-Base interactions energy: -1502.345 where: short stacking energy: -615.225 Base-Backbone interact. energy: 2.370 local terms energy: -686.334383 where: bonds (distance) C4'-P energy: -141.211 bonds (distance) P-C4' energy: -135.189 flat angles C4'-P-C4' energy: -146.176 flat angles P-C4'-P energy: -92.360 tors. eta vs tors. theta energy: -171.398 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: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2087.077340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.077340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.077340 (E_RNA) where: Base-Base interactions energy: -1412.667 where: short stacking energy: -614.900 Base-Backbone interact. energy: -3.544 local terms energy: -670.867073 where: bonds (distance) C4'-P energy: -126.339 bonds (distance) P-C4' energy: -117.924 flat angles C4'-P-C4' energy: -145.855 flat angles P-C4'-P energy: -91.186 tors. eta vs tors. theta energy: -189.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1966.860294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.860294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.860294 (E_RNA) where: Base-Base interactions energy: -1326.021 where: short stacking energy: -572.511 Base-Backbone interact. energy: 0.908 local terms energy: -641.747810 where: bonds (distance) C4'-P energy: -122.192 bonds (distance) P-C4' energy: -121.652 flat angles C4'-P-C4' energy: -127.902 flat angles P-C4'-P energy: -96.420 tors. eta vs tors. theta energy: -173.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1832.573294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.573294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.573294 (E_RNA) where: Base-Base interactions energy: -1220.813 where: short stacking energy: -531.872 Base-Backbone interact. energy: -0.999 local terms energy: -610.761499 where: bonds (distance) C4'-P energy: -124.929 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -131.743 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -147.680 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: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1717.323304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.323304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.323304 (E_RNA) where: Base-Base interactions energy: -1132.232 where: short stacking energy: -469.035 Base-Backbone interact. energy: -0.493 local terms energy: -584.598661 where: bonds (distance) C4'-P energy: -127.016 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -133.249 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -125.196 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: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1459.382330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.382330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.382330 (E_RNA) where: Base-Base interactions energy: -980.813 where: short stacking energy: -435.259 Base-Backbone interact. energy: 1.205 local terms energy: -479.774338 where: bonds (distance) C4'-P energy: -107.614 bonds (distance) P-C4' energy: -102.294 flat angles C4'-P-C4' energy: -97.588 flat angles P-C4'-P energy: -72.731 tors. eta vs tors. theta energy: -99.547 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: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1209.313073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.313073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.313073 (E_RNA) where: Base-Base interactions energy: -744.797 where: short stacking energy: -333.605 Base-Backbone interact. energy: 8.106 local terms energy: -472.621686 where: bonds (distance) C4'-P energy: -105.723 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -78.904 tors. eta vs tors. theta energy: -69.102 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: 6 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1013.978053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.978053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.978053 (E_RNA) where: Base-Base interactions energy: -570.759 where: short stacking energy: -280.009 Base-Backbone interact. energy: 1.695 local terms energy: -444.913943 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -125.283 flat angles C4'-P-C4' energy: -95.720 flat angles P-C4'-P energy: -82.186 tors. eta vs tors. theta energy: -23.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -765.257050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.257050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.257050 (E_RNA) where: Base-Base interactions energy: -386.800 where: short stacking energy: -206.775 Base-Backbone interact. energy: 11.535 local terms energy: -389.991544 where: bonds (distance) C4'-P energy: -102.037 bonds (distance) P-C4' energy: -125.497 flat angles C4'-P-C4' energy: -113.648 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: 0.233 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: 1, replica: 10 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2264.250778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.250778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.250778 (E_RNA) where: Base-Base interactions energy: -1555.818 where: short stacking energy: -651.422 Base-Backbone interact. energy: -3.376 local terms energy: -705.057450 where: bonds (distance) C4'-P energy: -113.264 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -103.809 tors. eta vs tors. theta energy: -191.428 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: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2196.826272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.826272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.826272 (E_RNA) where: Base-Base interactions energy: -1522.308 where: short stacking energy: -604.099 Base-Backbone interact. energy: -1.918 local terms energy: -672.601017 where: bonds (distance) C4'-P energy: -138.143 bonds (distance) P-C4' energy: -137.991 flat angles C4'-P-C4' energy: -157.224 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -167.760 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: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2125.792441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.792441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.792441 (E_RNA) where: Base-Base interactions energy: -1474.787 where: short stacking energy: -619.513 Base-Backbone interact. energy: -4.709 local terms energy: -646.297037 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -127.988 flat angles C4'-P-C4' energy: -119.210 flat angles P-C4'-P energy: -100.423 tors. eta vs tors. theta energy: -171.640 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: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2000.396107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.396107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.396107 (E_RNA) where: Base-Base interactions energy: -1352.463 where: short stacking energy: -572.227 Base-Backbone interact. energy: -4.036 local terms energy: -643.897222 where: bonds (distance) C4'-P energy: -119.888 bonds (distance) P-C4' energy: -134.825 flat angles C4'-P-C4' energy: -147.912 flat angles P-C4'-P energy: -79.053 tors. eta vs tors. theta energy: -162.219 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: 7 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1872.866380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.866380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.866380 (E_RNA) where: Base-Base interactions energy: -1238.473 where: short stacking energy: -538.225 Base-Backbone interact. energy: -3.811 local terms energy: -630.582258 where: bonds (distance) C4'-P energy: -103.767 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -81.155 tors. eta vs tors. theta energy: -165.329 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: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1688.453235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.453235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.453235 (E_RNA) where: Base-Base interactions energy: -1154.712 where: short stacking energy: -481.360 Base-Backbone interact. energy: 0.135 local terms energy: -533.875766 where: bonds (distance) C4'-P energy: -122.766 bonds (distance) P-C4' energy: -94.683 flat angles C4'-P-C4' energy: -129.797 flat angles P-C4'-P energy: -64.607 tors. eta vs tors. theta energy: -122.023 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: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1484.077092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.077092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.077092 (E_RNA) where: Base-Base interactions energy: -941.579 where: short stacking energy: -445.384 Base-Backbone interact. energy: 0.051 local terms energy: -542.549465 where: bonds (distance) C4'-P energy: -108.659 bonds (distance) P-C4' energy: -118.741 flat angles C4'-P-C4' energy: -116.014 flat angles P-C4'-P energy: -90.271 tors. eta vs tors. theta energy: -108.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1224.828739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.828739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.828739 (E_RNA) where: Base-Base interactions energy: -759.096 where: short stacking energy: -356.614 Base-Backbone interact. energy: -1.088 local terms energy: -464.644369 where: bonds (distance) C4'-P energy: -90.648 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -106.842 flat angles P-C4'-P energy: -76.534 tors. eta vs tors. theta energy: -88.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -986.390593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.390593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.390593 (E_RNA) where: Base-Base interactions energy: -540.829 where: short stacking energy: -271.688 Base-Backbone interact. energy: 0.095 local terms energy: -445.656745 where: bonds (distance) C4'-P energy: -108.317 bonds (distance) P-C4' energy: -107.925 flat angles C4'-P-C4' energy: -132.493 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: -31.755 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: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -687.970145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.970145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.970145 (E_RNA) where: Base-Base interactions energy: -309.971 where: short stacking energy: -184.472 Base-Backbone interact. energy: 2.536 local terms energy: -380.534330 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -118.858 flat angles C4'-P-C4' energy: -88.483 flat angles P-C4'-P energy: -60.389 tors. eta vs tors. theta energy: -11.056 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: 1, replica: 10 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2314.300378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.300378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.300378 (E_RNA) where: Base-Base interactions energy: -1587.234 where: short stacking energy: -681.364 Base-Backbone interact. energy: -5.177 local terms energy: -721.889522 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -134.850 flat angles C4'-P-C4' energy: -150.133 flat angles P-C4'-P energy: -99.849 tors. eta vs tors. theta energy: -202.481 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: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2185.319474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.319474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.319474 (E_RNA) where: Base-Base interactions energy: -1505.754 where: short stacking energy: -610.787 Base-Backbone interact. energy: -3.017 local terms energy: -676.548326 where: bonds (distance) C4'-P energy: -133.005 bonds (distance) P-C4' energy: -130.709 flat angles C4'-P-C4' energy: -143.015 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -175.023 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: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2103.387582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.387582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.387582 (E_RNA) where: Base-Base interactions energy: -1415.167 where: short stacking energy: -641.696 Base-Backbone interact. energy: -3.113 local terms energy: -685.107425 where: bonds (distance) C4'-P energy: -123.346 bonds (distance) P-C4' energy: -135.467 flat angles C4'-P-C4' energy: -143.958 flat angles P-C4'-P energy: -93.326 tors. eta vs tors. theta energy: -189.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2005.486131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.486131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.486131 (E_RNA) where: Base-Base interactions energy: -1363.230 where: short stacking energy: -610.504 Base-Backbone interact. energy: -1.227 local terms energy: -641.029013 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -127.649 flat angles C4'-P-C4' energy: -131.951 flat angles P-C4'-P energy: -90.281 tors. eta vs tors. theta energy: -178.060 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: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1857.824491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.824491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.824491 (E_RNA) where: Base-Base interactions energy: -1221.182 where: short stacking energy: -539.038 Base-Backbone interact. energy: -2.825 local terms energy: -633.817856 where: bonds (distance) C4'-P energy: -122.543 bonds (distance) P-C4' energy: -134.744 flat angles C4'-P-C4' energy: -136.600 flat angles P-C4'-P energy: -88.185 tors. eta vs tors. theta energy: -151.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1675.680610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.680610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.680610 (E_RNA) where: Base-Base interactions energy: -1130.312 where: short stacking energy: -481.215 Base-Backbone interact. energy: -1.848 local terms energy: -543.520381 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -136.295 flat angles C4'-P-C4' energy: -104.341 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -118.828 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: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1422.607899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.607899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.607899 (E_RNA) where: Base-Base interactions energy: -912.732 where: short stacking energy: -408.708 Base-Backbone interact. energy: 0.949 local terms energy: -510.825404 where: bonds (distance) C4'-P energy: -107.981 bonds (distance) P-C4' energy: -124.972 flat angles C4'-P-C4' energy: -130.083 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -76.359 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: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1156.377055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.377055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.377055 (E_RNA) where: Base-Base interactions energy: -704.161 where: short stacking energy: -353.822 Base-Backbone interact. energy: 0.517 local terms energy: -452.732868 where: bonds (distance) C4'-P energy: -121.645 bonds (distance) P-C4' energy: -115.613 flat angles C4'-P-C4' energy: -98.763 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -50.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -952.494422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.494422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.494422 (E_RNA) where: Base-Base interactions energy: -542.820 where: short stacking energy: -282.842 Base-Backbone interact. energy: 0.539 local terms energy: -410.213981 where: bonds (distance) C4'-P energy: -97.551 bonds (distance) P-C4' energy: -115.431 flat angles C4'-P-C4' energy: -103.658 flat angles P-C4'-P energy: -48.378 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: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -644.549636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.549636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.549636 (E_RNA) where: Base-Base interactions energy: -329.927 where: short stacking energy: -180.488 Base-Backbone interact. energy: 5.149 local terms energy: -319.771342 where: bonds (distance) C4'-P energy: -118.843 bonds (distance) P-C4' energy: -91.764 flat angles C4'-P-C4' energy: -74.803 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: 23.126 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: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2293.634153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.634153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.634153 (E_RNA) where: Base-Base interactions energy: -1570.408 where: short stacking energy: -629.119 Base-Backbone interact. energy: -5.848 local terms energy: -717.378500 where: bonds (distance) C4'-P energy: -135.605 bonds (distance) P-C4' energy: -129.977 flat angles C4'-P-C4' energy: -140.048 flat angles P-C4'-P energy: -110.066 tors. eta vs tors. theta energy: -201.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2185.411522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.411522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.411522 (E_RNA) where: Base-Base interactions energy: -1517.881 where: short stacking energy: -637.027 Base-Backbone interact. energy: -1.387 local terms energy: -666.143153 where: bonds (distance) C4'-P energy: -127.962 bonds (distance) P-C4' energy: -120.114 flat angles C4'-P-C4' energy: -151.251 flat angles P-C4'-P energy: -95.622 tors. eta vs tors. theta energy: -171.194 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: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2055.222642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.222642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.222642 (E_RNA) where: Base-Base interactions energy: -1402.520 where: short stacking energy: -615.988 Base-Backbone interact. energy: -1.588 local terms energy: -651.115374 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -135.055 flat angles P-C4'-P energy: -96.374 tors. eta vs tors. theta energy: -171.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1952.728292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.728292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.728292 (E_RNA) where: Base-Base interactions energy: -1324.525 where: short stacking energy: -577.894 Base-Backbone interact. energy: -0.683 local terms energy: -627.519940 where: bonds (distance) C4'-P energy: -126.214 bonds (distance) P-C4' energy: -106.909 flat angles C4'-P-C4' energy: -134.678 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -179.025 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: 7 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1845.538989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.538989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.538989 (E_RNA) where: Base-Base interactions energy: -1241.585 where: short stacking energy: -546.341 Base-Backbone interact. energy: -1.620 local terms energy: -602.334303 where: bonds (distance) C4'-P energy: -115.780 bonds (distance) P-C4' energy: -115.480 flat angles C4'-P-C4' energy: -132.108 flat angles P-C4'-P energy: -88.259 tors. eta vs tors. theta energy: -150.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1666.797031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.797031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.797031 (E_RNA) where: Base-Base interactions energy: -1113.712 where: short stacking energy: -461.674 Base-Backbone interact. energy: -2.805 local terms energy: -550.279659 where: bonds (distance) C4'-P energy: -115.229 bonds (distance) P-C4' energy: -121.823 flat angles C4'-P-C4' energy: -118.132 flat angles P-C4'-P energy: -77.827 tors. eta vs tors. theta energy: -117.270 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: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1413.589489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.589489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.589489 (E_RNA) where: Base-Base interactions energy: -900.053 where: short stacking energy: -393.420 Base-Backbone interact. energy: -2.514 local terms energy: -511.022393 where: bonds (distance) C4'-P energy: -107.583 bonds (distance) P-C4' energy: -103.066 flat angles C4'-P-C4' energy: -118.125 flat angles P-C4'-P energy: -92.803 tors. eta vs tors. theta energy: -89.445 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: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1168.401810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.401810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.401810 (E_RNA) where: Base-Base interactions energy: -700.458 where: short stacking energy: -348.955 Base-Backbone interact. energy: 0.077 local terms energy: -468.020494 where: bonds (distance) C4'-P energy: -96.699 bonds (distance) P-C4' energy: -118.527 flat angles C4'-P-C4' energy: -128.014 flat angles P-C4'-P energy: -63.742 tors. eta vs tors. theta energy: -61.039 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: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1026.792496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.792496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.792496 (E_RNA) where: Base-Base interactions energy: -583.637 where: short stacking energy: -284.906 Base-Backbone interact. energy: -1.546 local terms energy: -441.609762 where: bonds (distance) C4'-P energy: -105.446 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -100.251 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -41.939 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -664.734229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.734229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.734229 (E_RNA) where: Base-Base interactions energy: -305.207 where: short stacking energy: -179.954 Base-Backbone interact. energy: 3.294 local terms energy: -362.821890 where: bonds (distance) C4'-P energy: -101.032 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -90.448 flat angles P-C4'-P energy: -59.343 tors. eta vs tors. theta energy: 8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2298.228678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.228678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.228678 (E_RNA) where: Base-Base interactions energy: -1607.396 where: short stacking energy: -643.157 Base-Backbone interact. energy: -2.923 local terms energy: -687.908813 where: bonds (distance) C4'-P energy: -117.316 bonds (distance) P-C4' energy: -129.211 flat angles C4'-P-C4' energy: -145.111 flat angles P-C4'-P energy: -104.053 tors. eta vs tors. theta energy: -192.218 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: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2167.239860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.239860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.239860 (E_RNA) where: Base-Base interactions energy: -1506.765 where: short stacking energy: -633.347 Base-Backbone interact. energy: 2.886 local terms energy: -663.360124 where: bonds (distance) C4'-P energy: -125.208 bonds (distance) P-C4' energy: -127.200 flat angles C4'-P-C4' energy: -147.910 flat angles P-C4'-P energy: -98.116 tors. eta vs tors. theta energy: -164.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2040.601800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.601800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.601800 (E_RNA) where: Base-Base interactions energy: -1390.286 where: short stacking energy: -588.748 Base-Backbone interact. energy: -3.616 local terms energy: -646.699564 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -123.239 flat angles C4'-P-C4' energy: -125.497 flat angles P-C4'-P energy: -87.702 tors. eta vs tors. theta energy: -166.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2023.432202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.432202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.432202 (E_RNA) where: Base-Base interactions energy: -1363.666 where: short stacking energy: -584.227 Base-Backbone interact. energy: -4.912 local terms energy: -654.854159 where: bonds (distance) C4'-P energy: -118.998 bonds (distance) P-C4' energy: -149.490 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -85.627 tors. eta vs tors. theta energy: -155.287 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: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1843.329015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.329015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.329015 (E_RNA) where: Base-Base interactions energy: -1259.706 where: short stacking energy: -543.539 Base-Backbone interact. energy: -2.729 local terms energy: -580.894596 where: bonds (distance) C4'-P energy: -121.110 bonds (distance) P-C4' energy: -118.108 flat angles C4'-P-C4' energy: -123.142 flat angles P-C4'-P energy: -75.801 tors. eta vs tors. theta energy: -142.734 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: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1692.885511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.885511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.885511 (E_RNA) where: Base-Base interactions energy: -1133.624 where: short stacking energy: -469.589 Base-Backbone interact. energy: -4.652 local terms energy: -554.609558 where: bonds (distance) C4'-P energy: -114.399 bonds (distance) P-C4' energy: -113.061 flat angles C4'-P-C4' energy: -117.157 flat angles P-C4'-P energy: -78.903 tors. eta vs tors. theta energy: -131.090 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: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1388.542912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.542912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.542912 (E_RNA) where: Base-Base interactions energy: -890.494 where: short stacking energy: -417.358 Base-Backbone interact. energy: -0.134 local terms energy: -497.914161 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -113.814 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: -94.348 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: 8, replica: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1133.193564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.193564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.193564 (E_RNA) where: Base-Base interactions energy: -703.848 where: short stacking energy: -336.620 Base-Backbone interact. energy: 3.264 local terms energy: -432.609591 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -104.565 flat angles C4'-P-C4' energy: -82.510 flat angles P-C4'-P energy: -96.095 tors. eta vs tors. theta energy: -53.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -987.677421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.677421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.677421 (E_RNA) where: Base-Base interactions energy: -606.742 where: short stacking energy: -291.571 Base-Backbone interact. energy: -0.075 local terms energy: -380.860761 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -104.177 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: -26.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -667.242037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.242037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.242037 (E_RNA) where: Base-Base interactions energy: -324.006 where: short stacking energy: -206.380 Base-Backbone interact. energy: -3.045 local terms energy: -340.191585 where: bonds (distance) C4'-P energy: -96.497 bonds (distance) P-C4' energy: -106.709 flat angles C4'-P-C4' energy: -97.298 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: 10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2332.355072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.355072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.355072 (E_RNA) where: Base-Base interactions energy: -1576.079 where: short stacking energy: -656.335 Base-Backbone interact. energy: -4.664 local terms energy: -751.612241 where: bonds (distance) C4'-P energy: -152.002 bonds (distance) P-C4' energy: -143.748 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -103.967 tors. eta vs tors. theta energy: -203.510 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: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2154.617637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.617637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.617637 (E_RNA) where: Base-Base interactions energy: -1471.060 where: short stacking energy: -617.309 Base-Backbone interact. energy: -7.398 local terms energy: -676.159250 where: bonds (distance) C4'-P energy: -136.382 bonds (distance) P-C4' energy: -118.862 flat angles C4'-P-C4' energy: -152.602 flat angles P-C4'-P energy: -101.697 tors. eta vs tors. theta energy: -166.616 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: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2087.432532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.432532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.432532 (E_RNA) where: Base-Base interactions energy: -1411.302 where: short stacking energy: -614.803 Base-Backbone interact. energy: 1.878 local terms energy: -678.009329 where: bonds (distance) C4'-P energy: -135.034 bonds (distance) P-C4' energy: -134.614 flat angles C4'-P-C4' energy: -136.969 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -177.652 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: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1998.073973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.073973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.073973 (E_RNA) where: Base-Base interactions energy: -1362.872 where: short stacking energy: -601.249 Base-Backbone interact. energy: -1.668 local terms energy: -633.534178 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -121.432 flat angles P-C4'-P energy: -89.831 tors. eta vs tors. theta energy: -181.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1892.714602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.714602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.714602 (E_RNA) where: Base-Base interactions energy: -1288.945 where: short stacking energy: -564.230 Base-Backbone interact. energy: -3.006 local terms energy: -600.763308 where: bonds (distance) C4'-P energy: -127.774 bonds (distance) P-C4' energy: -109.504 flat angles C4'-P-C4' energy: -134.947 flat angles P-C4'-P energy: -70.206 tors. eta vs tors. theta energy: -158.333 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: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1682.866535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.866535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.866535 (E_RNA) where: Base-Base interactions energy: -1141.684 where: short stacking energy: -484.766 Base-Backbone interact. energy: -3.754 local terms energy: -537.429047 where: bonds (distance) C4'-P energy: -102.843 bonds (distance) P-C4' energy: -99.361 flat angles C4'-P-C4' energy: -121.250 flat angles P-C4'-P energy: -90.229 tors. eta vs tors. theta energy: -123.746 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: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1412.244562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.244562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.244562 (E_RNA) where: Base-Base interactions energy: -908.649 where: short stacking energy: -383.730 Base-Backbone interact. energy: 1.015 local terms energy: -504.610001 where: bonds (distance) C4'-P energy: -122.859 bonds (distance) P-C4' energy: -113.477 flat angles C4'-P-C4' energy: -121.464 flat angles P-C4'-P energy: -74.178 tors. eta vs tors. theta energy: -72.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1141.922544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.922544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.922544 (E_RNA) where: Base-Base interactions energy: -683.239 where: short stacking energy: -319.870 Base-Backbone interact. energy: -1.795 local terms energy: -456.888866 where: bonds (distance) C4'-P energy: -116.632 bonds (distance) P-C4' energy: -115.178 flat angles C4'-P-C4' energy: -107.637 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -48.505 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: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1070.420526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.420526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.420526 (E_RNA) where: Base-Base interactions energy: -631.059 where: short stacking energy: -316.450 Base-Backbone interact. energy: 3.615 local terms energy: -442.977227 where: bonds (distance) C4'-P energy: -103.204 bonds (distance) P-C4' energy: -123.901 flat angles C4'-P-C4' energy: -119.597 flat angles P-C4'-P energy: -58.761 tors. eta vs tors. theta energy: -37.514 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -643.569197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.569197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.569197 (E_RNA) where: Base-Base interactions energy: -281.433 where: short stacking energy: -168.986 Base-Backbone interact. energy: -2.734 local terms energy: -359.402040 where: bonds (distance) C4'-P energy: -108.485 bonds (distance) P-C4' energy: -105.782 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -5.381 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: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2323.029264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.029264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.029264 (E_RNA) where: Base-Base interactions energy: -1591.261 where: short stacking energy: -657.842 Base-Backbone interact. energy: -5.539 local terms energy: -726.229113 where: bonds (distance) C4'-P energy: -133.842 bonds (distance) P-C4' energy: -146.711 flat angles C4'-P-C4' energy: -144.836 flat angles P-C4'-P energy: -113.259 tors. eta vs tors. theta energy: -187.581 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: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2147.653993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.653993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.653993 (E_RNA) where: Base-Base interactions energy: -1512.866 where: short stacking energy: -624.638 Base-Backbone interact. energy: -5.446 local terms energy: -629.342059 where: bonds (distance) C4'-P energy: -132.691 bonds (distance) P-C4' energy: -124.990 flat angles C4'-P-C4' energy: -134.726 flat angles P-C4'-P energy: -77.007 tors. eta vs tors. theta energy: -159.928 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: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2070.992332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.992332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.992332 (E_RNA) where: Base-Base interactions energy: -1404.184 where: short stacking energy: -602.853 Base-Backbone interact. energy: -1.279 local terms energy: -665.529438 where: bonds (distance) C4'-P energy: -116.682 bonds (distance) P-C4' energy: -127.107 flat angles C4'-P-C4' energy: -142.612 flat angles P-C4'-P energy: -96.814 tors. eta vs tors. theta energy: -182.313 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: 4, replica: 7 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1974.903259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.903259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.903259 (E_RNA) where: Base-Base interactions energy: -1336.414 where: short stacking energy: -566.624 Base-Backbone interact. energy: -2.086 local terms energy: -636.402696 where: bonds (distance) C4'-P energy: -113.181 bonds (distance) P-C4' energy: -128.924 flat angles C4'-P-C4' energy: -140.288 flat angles P-C4'-P energy: -82.141 tors. eta vs tors. theta energy: -171.869 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: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1952.261699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.261699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.261699 (E_RNA) where: Base-Base interactions energy: -1343.764 where: short stacking energy: -557.578 Base-Backbone interact. energy: -0.871 local terms energy: -607.626372 where: bonds (distance) C4'-P energy: -97.021 bonds (distance) P-C4' energy: -125.518 flat angles C4'-P-C4' energy: -132.734 flat angles P-C4'-P energy: -83.625 tors. eta vs tors. theta energy: -168.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1713.130525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.130525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.130525 (E_RNA) where: Base-Base interactions energy: -1127.542 where: short stacking energy: -497.834 Base-Backbone interact. energy: -2.956 local terms energy: -582.632502 where: bonds (distance) C4'-P energy: -114.124 bonds (distance) P-C4' energy: -112.431 flat angles C4'-P-C4' energy: -130.387 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -135.580 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: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1450.707426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.707426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.707426 (E_RNA) where: Base-Base interactions energy: -945.773 where: short stacking energy: -436.794 Base-Backbone interact. energy: 5.501 local terms energy: -510.435488 where: bonds (distance) C4'-P energy: -116.236 bonds (distance) P-C4' energy: -104.152 flat angles C4'-P-C4' energy: -120.562 flat angles P-C4'-P energy: -77.798 tors. eta vs tors. theta energy: -91.687 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: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1094.213019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.213019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.213019 (E_RNA) where: Base-Base interactions energy: -630.706 where: short stacking energy: -290.730 Base-Backbone interact. energy: 0.222 local terms energy: -463.729080 where: bonds (distance) C4'-P energy: -119.148 bonds (distance) P-C4' energy: -107.308 flat angles C4'-P-C4' energy: -114.082 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -54.018 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: 9, replica: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1064.305287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.305287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.305287 (E_RNA) where: Base-Base interactions energy: -651.856 where: short stacking energy: -291.844 Base-Backbone interact. energy: -0.717 local terms energy: -411.731432 where: bonds (distance) C4'-P energy: -105.862 bonds (distance) P-C4' energy: -126.186 flat angles C4'-P-C4' energy: -97.686 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -31.791 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: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -643.589715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.589715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.589715 (E_RNA) where: Base-Base interactions energy: -334.360 where: short stacking energy: -198.618 Base-Backbone interact. energy: -0.968 local terms energy: -308.261598 where: bonds (distance) C4'-P energy: -107.021 bonds (distance) P-C4' energy: -111.604 flat angles C4'-P-C4' energy: -72.730 flat angles P-C4'-P energy: -34.370 tors. eta vs tors. theta energy: 17.462 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2279.348704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.348704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.348704 (E_RNA) where: Base-Base interactions energy: -1586.487 where: short stacking energy: -686.038 Base-Backbone interact. energy: -3.698 local terms energy: -689.163801 where: bonds (distance) C4'-P energy: -125.513 bonds (distance) P-C4' energy: -127.323 flat angles C4'-P-C4' energy: -154.495 flat angles P-C4'-P energy: -92.793 tors. eta vs tors. theta energy: -189.040 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: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2154.454162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.454162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.454162 (E_RNA) where: Base-Base interactions energy: -1469.684 where: short stacking energy: -594.924 Base-Backbone interact. energy: -3.375 local terms energy: -681.394939 where: bonds (distance) C4'-P energy: -125.441 bonds (distance) P-C4' energy: -136.045 flat angles C4'-P-C4' energy: -149.823 flat angles P-C4'-P energy: -97.586 tors. eta vs tors. theta energy: -172.500 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: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2095.320068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.320068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.320068 (E_RNA) where: Base-Base interactions energy: -1427.097 where: short stacking energy: -628.683 Base-Backbone interact. energy: -2.480 local terms energy: -665.742983 where: bonds (distance) C4'-P energy: -110.242 bonds (distance) P-C4' energy: -127.623 flat angles C4'-P-C4' energy: -151.990 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -187.749 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: 4, replica: 7 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1932.255775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.255775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.255775 (E_RNA) where: Base-Base interactions energy: -1320.734 where: short stacking energy: -538.600 Base-Backbone interact. energy: -4.090 local terms energy: -607.431161 where: bonds (distance) C4'-P energy: -125.011 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -144.898 flat angles P-C4'-P energy: -81.102 tors. eta vs tors. theta energy: -153.031 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: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1958.707213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.707213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.707213 (E_RNA) where: Base-Base interactions energy: -1333.780 where: short stacking energy: -564.768 Base-Backbone interact. energy: -2.937 local terms energy: -621.989674 where: bonds (distance) C4'-P energy: -120.063 bonds (distance) P-C4' energy: -123.162 flat angles C4'-P-C4' energy: -129.036 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -163.614 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: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1715.514182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.514182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.514182 (E_RNA) where: Base-Base interactions energy: -1141.907 where: short stacking energy: -500.984 Base-Backbone interact. energy: -2.153 local terms energy: -571.453794 where: bonds (distance) C4'-P energy: -113.440 bonds (distance) P-C4' energy: -120.473 flat angles C4'-P-C4' energy: -122.054 flat angles P-C4'-P energy: -78.162 tors. eta vs tors. theta energy: -137.325 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: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1417.295148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.295148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.295148 (E_RNA) where: Base-Base interactions energy: -901.070 where: short stacking energy: -403.554 Base-Backbone interact. energy: 0.347 local terms energy: -516.572161 where: bonds (distance) C4'-P energy: -116.021 bonds (distance) P-C4' energy: -101.817 flat angles C4'-P-C4' energy: -125.632 flat angles P-C4'-P energy: -77.718 tors. eta vs tors. theta energy: -95.383 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: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1132.377751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.377751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.377751 (E_RNA) where: Base-Base interactions energy: -724.917 where: short stacking energy: -354.078 Base-Backbone interact. energy: 0.614 local terms energy: -408.075083 where: bonds (distance) C4'-P energy: -111.717 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -88.527 flat angles P-C4'-P energy: -39.575 tors. eta vs tors. theta energy: -69.312 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: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1135.999076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.999076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.999076 (E_RNA) where: Base-Base interactions energy: -668.274 where: short stacking energy: -319.130 Base-Backbone interact. energy: 2.002 local terms energy: -469.726737 where: bonds (distance) C4'-P energy: -116.620 bonds (distance) P-C4' energy: -111.803 flat angles C4'-P-C4' energy: -113.007 flat angles P-C4'-P energy: -64.392 tors. eta vs tors. theta energy: -63.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -631.902518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.902518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.902518 (E_RNA) where: Base-Base interactions energy: -250.755 where: short stacking energy: -158.547 Base-Backbone interact. energy: 0.138 local terms energy: -381.285029 where: bonds (distance) C4'-P energy: -121.152 bonds (distance) P-C4' energy: -105.497 flat angles C4'-P-C4' energy: -114.530 flat angles P-C4'-P energy: -58.664 tors. eta vs tors. theta energy: 18.558 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: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2289.018868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.018868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.018868 (E_RNA) where: Base-Base interactions energy: -1595.641 where: short stacking energy: -657.385 Base-Backbone interact. energy: 0.180 local terms energy: -693.557238 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -100.551 tors. eta vs tors. theta energy: -192.277 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2159.638444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.638444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.638444 (E_RNA) where: Base-Base interactions energy: -1471.760 where: short stacking energy: -614.500 Base-Backbone interact. energy: -1.497 local terms energy: -686.381589 where: bonds (distance) C4'-P energy: -137.164 bonds (distance) P-C4' energy: -135.279 flat angles C4'-P-C4' energy: -143.304 flat angles P-C4'-P energy: -92.784 tors. eta vs tors. theta energy: -177.851 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: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2085.540104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.540104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.540104 (E_RNA) where: Base-Base interactions energy: -1403.632 where: short stacking energy: -630.714 Base-Backbone interact. energy: -4.961 local terms energy: -676.946997 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -121.630 flat angles C4'-P-C4' energy: -154.653 flat angles P-C4'-P energy: -96.247 tors. eta vs tors. theta energy: -182.040 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: 149 Temperature: 1.050000 Total energy: -1960.301913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.301913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.301913 (E_RNA) where: Base-Base interactions energy: -1326.032 where: short stacking energy: -577.600 Base-Backbone interact. energy: 0.094 local terms energy: -634.364175 where: bonds (distance) C4'-P energy: -127.281 bonds (distance) P-C4' energy: -117.603 flat angles C4'-P-C4' energy: -141.592 flat angles P-C4'-P energy: -93.040 tors. eta vs tors. theta energy: -154.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1891.892806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.892806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.892806 (E_RNA) where: Base-Base interactions energy: -1292.487 where: short stacking energy: -544.365 Base-Backbone interact. energy: -2.843 local terms energy: -596.562999 where: bonds (distance) C4'-P energy: -119.715 bonds (distance) P-C4' energy: -97.516 flat angles C4'-P-C4' energy: -139.666 flat angles P-C4'-P energy: -82.376 tors. eta vs tors. theta energy: -157.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1645.145402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.145402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.145402 (E_RNA) where: Base-Base interactions energy: -1077.938 where: short stacking energy: -477.302 Base-Backbone interact. energy: -1.068 local terms energy: -566.138871 where: bonds (distance) C4'-P energy: -122.333 bonds (distance) P-C4' energy: -125.211 flat angles C4'-P-C4' energy: -117.442 flat angles P-C4'-P energy: -86.305 tors. eta vs tors. theta energy: -114.848 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: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1431.562933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.562933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.562933 (E_RNA) where: Base-Base interactions energy: -905.448 where: short stacking energy: -369.316 Base-Backbone interact. energy: -1.690 local terms energy: -524.424530 where: bonds (distance) C4'-P energy: -106.688 bonds (distance) P-C4' energy: -126.518 flat angles C4'-P-C4' energy: -123.097 flat angles P-C4'-P energy: -77.285 tors. eta vs tors. theta energy: -90.836 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1157.400408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.400408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.400408 (E_RNA) where: Base-Base interactions energy: -693.418 where: short stacking energy: -322.732 Base-Backbone interact. energy: 0.406 local terms energy: -464.388194 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -53.306 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: 6 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1140.817601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.817601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.817601 (E_RNA) where: Base-Base interactions energy: -717.674 where: short stacking energy: -338.764 Base-Backbone interact. energy: -3.880 local terms energy: -419.262645 where: bonds (distance) C4'-P energy: -104.823 bonds (distance) P-C4' energy: -93.024 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -65.034 tors. eta vs tors. theta energy: -50.093 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: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -567.169660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.169660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.169660 (E_RNA) where: Base-Base interactions energy: -208.350 where: short stacking energy: -156.209 Base-Backbone interact. energy: -1.836 local terms energy: -356.984093 where: bonds (distance) C4'-P energy: -111.969 bonds (distance) P-C4' energy: -118.556 flat angles C4'-P-C4' energy: -98.693 flat angles P-C4'-P energy: -37.080 tors. eta vs tors. theta energy: 9.314 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: 1, replica: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2314.597419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.597419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.597419 (E_RNA) where: Base-Base interactions energy: -1604.809 where: short stacking energy: -685.269 Base-Backbone interact. energy: -0.786 local terms energy: -709.001956 where: bonds (distance) C4'-P energy: -129.286 bonds (distance) P-C4' energy: -125.804 flat angles C4'-P-C4' energy: -155.791 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -195.940 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: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2201.333932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.333932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.333932 (E_RNA) where: Base-Base interactions energy: -1513.506 where: short stacking energy: -614.343 Base-Backbone interact. energy: -3.191 local terms energy: -684.637183 where: bonds (distance) C4'-P energy: -127.969 bonds (distance) P-C4' energy: -137.501 flat angles C4'-P-C4' energy: -150.322 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -182.301 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: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2095.804006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.804006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.804006 (E_RNA) where: Base-Base interactions energy: -1429.939 where: short stacking energy: -608.811 Base-Backbone interact. energy: -0.123 local terms energy: -665.741491 where: bonds (distance) C4'-P energy: -137.981 bonds (distance) P-C4' energy: -119.155 flat angles C4'-P-C4' energy: -135.939 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -176.225 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: 7 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1942.631560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.631560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.631560 (E_RNA) where: Base-Base interactions energy: -1323.868 where: short stacking energy: -582.522 Base-Backbone interact. energy: -1.254 local terms energy: -617.510169 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -112.998 flat angles C4'-P-C4' energy: -121.848 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -171.634 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: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1865.740824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.740824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.740824 (E_RNA) where: Base-Base interactions energy: -1259.188 where: short stacking energy: -559.312 Base-Backbone interact. energy: -5.588 local terms energy: -600.965015 where: bonds (distance) C4'-P energy: -120.456 bonds (distance) P-C4' energy: -102.578 flat angles C4'-P-C4' energy: -128.058 flat angles P-C4'-P energy: -97.879 tors. eta vs tors. theta energy: -151.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1669.231986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.231986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.231986 (E_RNA) where: Base-Base interactions energy: -1097.872 where: short stacking energy: -465.749 Base-Backbone interact. energy: -6.034 local terms energy: -565.326289 where: bonds (distance) C4'-P energy: -104.875 bonds (distance) P-C4' energy: -113.988 flat angles C4'-P-C4' energy: -133.532 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -114.731 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: 2 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1460.460744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.460744 (E_RNA) where: Base-Base interactions energy: -960.417 where: short stacking energy: -409.135 Base-Backbone interact. energy: -4.884 local terms energy: -495.159871 where: bonds (distance) C4'-P energy: -109.468 bonds (distance) P-C4' energy: -101.875 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -68.636 tors. eta vs tors. theta energy: -96.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1150.847093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.847093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.847093 (E_RNA) where: Base-Base interactions energy: -698.312 where: short stacking energy: -354.883 Base-Backbone interact. energy: -2.777 local terms energy: -449.758078 where: bonds (distance) C4'-P energy: -88.692 bonds (distance) P-C4' energy: -122.255 flat angles C4'-P-C4' energy: -112.611 flat angles P-C4'-P energy: -61.263 tors. eta vs tors. theta energy: -64.938 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: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1108.963704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.963704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.963704 (E_RNA) where: Base-Base interactions energy: -654.632 where: short stacking energy: -361.015 Base-Backbone interact. energy: -0.869 local terms energy: -453.462834 where: bonds (distance) C4'-P energy: -109.892 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -117.597 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -63.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -603.258994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.258994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.258994 (E_RNA) where: Base-Base interactions energy: -271.684 where: short stacking energy: -188.144 Base-Backbone interact. energy: 0.188 local terms energy: -331.763163 where: bonds (distance) C4'-P energy: -103.774 bonds (distance) P-C4' energy: -117.560 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: 13.271 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: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2356.404548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.404548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.404548 (E_RNA) where: Base-Base interactions energy: -1611.784 where: short stacking energy: -677.279 Base-Backbone interact. energy: -4.548 local terms energy: -740.071856 where: bonds (distance) C4'-P energy: -144.839 bonds (distance) P-C4' energy: -135.769 flat angles C4'-P-C4' energy: -146.370 flat angles P-C4'-P energy: -107.214 tors. eta vs tors. theta energy: -205.880 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: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2181.208668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.208668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.208668 (E_RNA) where: Base-Base interactions energy: -1503.813 where: short stacking energy: -625.224 Base-Backbone interact. energy: 0.104 local terms energy: -677.499111 where: bonds (distance) C4'-P energy: -120.879 bonds (distance) P-C4' energy: -141.726 flat angles C4'-P-C4' energy: -152.662 flat angles P-C4'-P energy: -95.407 tors. eta vs tors. theta energy: -166.826 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2071.836913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.836913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.836913 (E_RNA) where: Base-Base interactions energy: -1380.830 where: short stacking energy: -601.509 Base-Backbone interact. energy: -2.510 local terms energy: -688.496621 where: bonds (distance) C4'-P energy: -134.565 bonds (distance) P-C4' energy: -142.804 flat angles C4'-P-C4' energy: -135.937 flat angles P-C4'-P energy: -98.582 tors. eta vs tors. theta energy: -176.609 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: 7 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1985.718407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.718407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.718407 (E_RNA) where: Base-Base interactions energy: -1353.394 where: short stacking energy: -569.223 Base-Backbone interact. energy: -4.074 local terms energy: -628.250079 where: bonds (distance) C4'-P energy: -120.173 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -136.537 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -177.702 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: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1858.795210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.795210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.795210 (E_RNA) where: Base-Base interactions energy: -1253.250 where: short stacking energy: -532.189 Base-Backbone interact. energy: 3.569 local terms energy: -609.114257 where: bonds (distance) C4'-P energy: -113.068 bonds (distance) P-C4' energy: -137.895 flat angles C4'-P-C4' energy: -131.503 flat angles P-C4'-P energy: -83.853 tors. eta vs tors. theta energy: -142.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1628.383415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.383415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.383415 (E_RNA) where: Base-Base interactions energy: -1080.572 where: short stacking energy: -454.974 Base-Backbone interact. energy: -0.366 local terms energy: -547.445492 where: bonds (distance) C4'-P energy: -120.785 bonds (distance) P-C4' energy: -126.849 flat angles C4'-P-C4' energy: -116.382 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -110.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1566.929070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.929070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.929070 (E_RNA) where: Base-Base interactions energy: -1038.839 where: short stacking energy: -452.150 Base-Backbone interact. energy: -3.182 local terms energy: -524.908036 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -112.728 flat angles C4'-P-C4' energy: -118.183 flat angles P-C4'-P energy: -61.857 tors. eta vs tors. theta energy: -120.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1189.475922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.475922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.475922 (E_RNA) where: Base-Base interactions energy: -733.708 where: short stacking energy: -347.285 Base-Backbone interact. energy: -2.704 local terms energy: -453.063939 where: bonds (distance) C4'-P energy: -88.960 bonds (distance) P-C4' energy: -127.593 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -82.328 tors. eta vs tors. theta energy: -55.540 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: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1058.539742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.539742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.539742 (E_RNA) where: Base-Base interactions energy: -610.270 where: short stacking energy: -295.441 Base-Backbone interact. energy: -1.720 local terms energy: -446.548920 where: bonds (distance) C4'-P energy: -125.602 bonds (distance) P-C4' energy: -117.722 flat angles C4'-P-C4' energy: -114.196 flat angles P-C4'-P energy: -53.743 tors. eta vs tors. theta energy: -35.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -649.731607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.731607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.731607 (E_RNA) where: Base-Base interactions energy: -301.945 where: short stacking energy: -204.414 Base-Backbone interact. energy: -3.095 local terms energy: -344.690964 where: bonds (distance) C4'-P energy: -101.216 bonds (distance) P-C4' energy: -104.399 flat angles C4'-P-C4' energy: -105.567 flat angles P-C4'-P energy: -30.408 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2313.269337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.269337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.269337 (E_RNA) where: Base-Base interactions energy: -1594.384 where: short stacking energy: -654.563 Base-Backbone interact. energy: -5.750 local terms energy: -713.135450 where: bonds (distance) C4'-P energy: -122.919 bonds (distance) P-C4' energy: -139.754 flat angles C4'-P-C4' energy: -156.145 flat angles P-C4'-P energy: -89.155 tors. eta vs tors. theta energy: -205.163 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: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2180.613921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.613921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.613921 (E_RNA) where: Base-Base interactions energy: -1516.907 where: short stacking energy: -623.620 Base-Backbone interact. energy: 0.237 local terms energy: -663.943684 where: bonds (distance) C4'-P energy: -133.369 bonds (distance) P-C4' energy: -126.018 flat angles C4'-P-C4' energy: -141.564 flat angles P-C4'-P energy: -88.905 tors. eta vs tors. theta energy: -174.087 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: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2088.575511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.575511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.575511 (E_RNA) where: Base-Base interactions energy: -1399.076 where: short stacking energy: -626.354 Base-Backbone interact. energy: -3.126 local terms energy: -686.372963 where: bonds (distance) C4'-P energy: -128.509 bonds (distance) P-C4' energy: -123.914 flat angles C4'-P-C4' energy: -146.984 flat angles P-C4'-P energy: -99.186 tors. eta vs tors. theta energy: -187.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1980.971493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.971493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.971493 (E_RNA) where: Base-Base interactions energy: -1340.069 where: short stacking energy: -576.577 Base-Backbone interact. energy: -2.688 local terms energy: -638.214444 where: bonds (distance) C4'-P energy: -109.618 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -142.961 flat angles P-C4'-P energy: -92.504 tors. eta vs tors. theta energy: -167.775 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: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1863.517341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.517341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.517341 (E_RNA) where: Base-Base interactions energy: -1226.773 where: short stacking energy: -549.179 Base-Backbone interact. energy: -0.840 local terms energy: -635.905037 where: bonds (distance) C4'-P energy: -136.798 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -139.452 flat angles P-C4'-P energy: -88.777 tors. eta vs tors. theta energy: -149.242 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: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1672.202888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.202888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.202888 (E_RNA) where: Base-Base interactions energy: -1076.516 where: short stacking energy: -465.735 Base-Backbone interact. energy: -4.955 local terms energy: -590.731718 where: bonds (distance) C4'-P energy: -104.606 bonds (distance) P-C4' energy: -130.919 flat angles C4'-P-C4' energy: -139.319 flat angles P-C4'-P energy: -83.277 tors. eta vs tors. theta energy: -132.611 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: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1540.649352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.649352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.649352 (E_RNA) where: Base-Base interactions energy: -1019.082 where: short stacking energy: -452.415 Base-Backbone interact. energy: -2.446 local terms energy: -519.121839 where: bonds (distance) C4'-P energy: -109.731 bonds (distance) P-C4' energy: -105.561 flat angles C4'-P-C4' energy: -121.299 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -110.096 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: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1291.057464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.057464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.057464 (E_RNA) where: Base-Base interactions energy: -788.937 where: short stacking energy: -363.333 Base-Backbone interact. energy: -0.998 local terms energy: -501.123323 where: bonds (distance) C4'-P energy: -104.257 bonds (distance) P-C4' energy: -111.229 flat angles C4'-P-C4' energy: -129.644 flat angles P-C4'-P energy: -80.720 tors. eta vs tors. theta energy: -75.274 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: 9, replica: 6 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1087.394258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.394258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.394258 (E_RNA) where: Base-Base interactions energy: -671.904 where: short stacking energy: -328.689 Base-Backbone interact. energy: 4.320 local terms energy: -419.810173 where: bonds (distance) C4'-P energy: -100.642 bonds (distance) P-C4' energy: -98.650 flat angles C4'-P-C4' energy: -105.500 flat angles P-C4'-P energy: -71.528 tors. eta vs tors. theta energy: -43.490 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -563.009529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.009529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.009529 (E_RNA) where: Base-Base interactions energy: -221.139 where: short stacking energy: -160.372 Base-Backbone interact. energy: -3.928 local terms energy: -337.942202 where: bonds (distance) C4'-P energy: -94.157 bonds (distance) P-C4' energy: -108.594 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -64.485 tors. eta vs tors. theta energy: 8.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2303.246681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.246681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.246681 (E_RNA) where: Base-Base interactions energy: -1576.674 where: short stacking energy: -652.065 Base-Backbone interact. energy: -4.956 local terms energy: -721.616905 where: bonds (distance) C4'-P energy: -139.326 bonds (distance) P-C4' energy: -130.704 flat angles C4'-P-C4' energy: -149.840 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -197.194 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: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2150.208445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.208445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.208445 (E_RNA) where: Base-Base interactions energy: -1455.010 where: short stacking energy: -638.368 Base-Backbone interact. energy: -3.091 local terms energy: -692.107777 where: bonds (distance) C4'-P energy: -127.811 bonds (distance) P-C4' energy: -129.904 flat angles C4'-P-C4' energy: -148.490 flat angles P-C4'-P energy: -89.995 tors. eta vs tors. theta energy: -195.907 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: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2135.739584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.739584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.739584 (E_RNA) where: Base-Base interactions energy: -1504.528 where: short stacking energy: -574.855 Base-Backbone interact. energy: -0.720 local terms energy: -630.491673 where: bonds (distance) C4'-P energy: -118.187 bonds (distance) P-C4' energy: -132.276 flat angles C4'-P-C4' energy: -141.414 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: -158.063 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: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1964.625712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.625712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.625712 (E_RNA) where: Base-Base interactions energy: -1365.695 where: short stacking energy: -569.561 Base-Backbone interact. energy: 0.924 local terms energy: -599.855144 where: bonds (distance) C4'-P energy: -101.407 bonds (distance) P-C4' energy: -126.630 flat angles C4'-P-C4' energy: -126.487 flat angles P-C4'-P energy: -83.490 tors. eta vs tors. theta energy: -161.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1890.038560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.038560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.038560 (E_RNA) where: Base-Base interactions energy: -1279.351 where: short stacking energy: -560.323 Base-Backbone interact. energy: -5.812 local terms energy: -604.875205 where: bonds (distance) C4'-P energy: -107.330 bonds (distance) P-C4' energy: -124.134 flat angles C4'-P-C4' energy: -136.749 flat angles P-C4'-P energy: -78.878 tors. eta vs tors. theta energy: -157.784 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: 4 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1669.669122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.669122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.669122 (E_RNA) where: Base-Base interactions energy: -1142.903 where: short stacking energy: -503.914 Base-Backbone interact. energy: 0.748 local terms energy: -527.514237 where: bonds (distance) C4'-P energy: -96.526 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -105.987 flat angles P-C4'-P energy: -76.036 tors. eta vs tors. theta energy: -122.878 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: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1569.480507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.480507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.480507 (E_RNA) where: Base-Base interactions energy: -1006.231 where: short stacking energy: -443.413 Base-Backbone interact. energy: -3.296 local terms energy: -559.953733 where: bonds (distance) C4'-P energy: -123.725 bonds (distance) P-C4' energy: -123.930 flat angles C4'-P-C4' energy: -123.446 flat angles P-C4'-P energy: -68.995 tors. eta vs tors. theta energy: -119.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1269.290619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.290619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.290619 (E_RNA) where: Base-Base interactions energy: -809.141 where: short stacking energy: -365.693 Base-Backbone interact. energy: -1.036 local terms energy: -459.113724 where: bonds (distance) C4'-P energy: -106.920 bonds (distance) P-C4' energy: -118.805 flat angles C4'-P-C4' energy: -103.875 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -67.564 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: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1117.184284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.184284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.184284 (E_RNA) where: Base-Base interactions energy: -694.662 where: short stacking energy: -333.978 Base-Backbone interact. energy: -0.640 local terms energy: -421.881718 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -99.620 flat angles C4'-P-C4' energy: -96.264 flat angles P-C4'-P energy: -67.218 tors. eta vs tors. theta energy: -65.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -608.877070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.877070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.877070 (E_RNA) where: Base-Base interactions energy: -253.285 where: short stacking energy: -163.393 Base-Backbone interact. energy: -3.871 local terms energy: -351.721456 where: bonds (distance) C4'-P energy: -107.934 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -51.231 tors. eta vs tors. theta energy: 17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2291.792267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.792267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.792267 (E_RNA) where: Base-Base interactions energy: -1587.020 where: short stacking energy: -678.305 Base-Backbone interact. energy: -4.227 local terms energy: -700.545590 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -133.047 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -96.890 tors. eta vs tors. theta energy: -197.039 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: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2140.366114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.366114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.366114 (E_RNA) where: Base-Base interactions energy: -1448.071 where: short stacking energy: -635.517 Base-Backbone interact. energy: -2.309 local terms energy: -689.986277 where: bonds (distance) C4'-P energy: -131.849 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -149.981 flat angles P-C4'-P energy: -95.767 tors. eta vs tors. theta energy: -186.554 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: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2134.773297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.773297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.773297 (E_RNA) where: Base-Base interactions energy: -1459.176 where: short stacking energy: -605.772 Base-Backbone interact. energy: -2.789 local terms energy: -672.808145 where: bonds (distance) C4'-P energy: -132.160 bonds (distance) P-C4' energy: -129.537 flat angles C4'-P-C4' energy: -150.919 flat angles P-C4'-P energy: -91.689 tors. eta vs tors. theta energy: -168.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1990.789456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.789456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.789456 (E_RNA) where: Base-Base interactions energy: -1373.065 where: short stacking energy: -614.232 Base-Backbone interact. energy: -0.488 local terms energy: -617.236705 where: bonds (distance) C4'-P energy: -115.319 bonds (distance) P-C4' energy: -109.717 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -76.227 tors. eta vs tors. theta energy: -179.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1871.403113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.403113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.403113 (E_RNA) where: Base-Base interactions energy: -1273.657 where: short stacking energy: -562.609 Base-Backbone interact. energy: -1.519 local terms energy: -596.227717 where: bonds (distance) C4'-P energy: -113.093 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -132.307 flat angles P-C4'-P energy: -92.201 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: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1697.513645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.513645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.513645 (E_RNA) where: Base-Base interactions energy: -1138.248 where: short stacking energy: -486.036 Base-Backbone interact. energy: -4.269 local terms energy: -554.996818 where: bonds (distance) C4'-P energy: -102.440 bonds (distance) P-C4' energy: -106.235 flat angles C4'-P-C4' energy: -131.403 flat angles P-C4'-P energy: -86.709 tors. eta vs tors. theta energy: -128.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1526.877244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.877244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.877244 (E_RNA) where: Base-Base interactions energy: -1005.684 where: short stacking energy: -450.702 Base-Backbone interact. energy: -2.235 local terms energy: -518.958814 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -117.055 flat angles C4'-P-C4' energy: -125.040 flat angles P-C4'-P energy: -85.141 tors. eta vs tors. theta energy: -95.239 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: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1302.797031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.797031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.797031 (E_RNA) where: Base-Base interactions energy: -835.367 where: short stacking energy: -400.997 Base-Backbone interact. energy: -0.685 local terms energy: -466.744767 where: bonds (distance) C4'-P energy: -92.798 bonds (distance) P-C4' energy: -109.967 flat angles C4'-P-C4' energy: -126.359 flat angles P-C4'-P energy: -47.737 tors. eta vs tors. theta energy: -89.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1076.268983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.268983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.268983 (E_RNA) where: Base-Base interactions energy: -651.485 where: short stacking energy: -301.915 Base-Backbone interact. energy: 5.072 local terms energy: -429.856405 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -113.900 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -54.765 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: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -590.135284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.135284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.135284 (E_RNA) where: Base-Base interactions energy: -238.899 where: short stacking energy: -150.901 Base-Backbone interact. energy: 1.193 local terms energy: -352.429764 where: bonds (distance) C4'-P energy: -121.332 bonds (distance) P-C4' energy: -113.046 flat angles C4'-P-C4' energy: -102.583 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: 28.333 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: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2303.206163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.206163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.206163 (E_RNA) where: Base-Base interactions energy: -1588.477 where: short stacking energy: -650.831 Base-Backbone interact. energy: -0.135 local terms energy: -714.594380 where: bonds (distance) C4'-P energy: -132.377 bonds (distance) P-C4' energy: -144.698 flat angles C4'-P-C4' energy: -150.048 flat angles P-C4'-P energy: -99.495 tors. eta vs tors. theta energy: -187.977 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: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2176.469597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.469597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.469597 (E_RNA) where: Base-Base interactions energy: -1482.391 where: short stacking energy: -621.652 Base-Backbone interact. energy: -2.543 local terms energy: -691.535200 where: bonds (distance) C4'-P energy: -134.170 bonds (distance) P-C4' energy: -121.940 flat angles C4'-P-C4' energy: -148.686 flat angles P-C4'-P energy: -89.513 tors. eta vs tors. theta energy: -197.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2109.042212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.042212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.042212 (E_RNA) where: Base-Base interactions energy: -1473.211 where: short stacking energy: -584.645 Base-Backbone interact. energy: -0.291 local terms energy: -635.539762 where: bonds (distance) C4'-P energy: -131.218 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -152.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1952.029441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.029441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.029441 (E_RNA) where: Base-Base interactions energy: -1320.623 where: short stacking energy: -588.950 Base-Backbone interact. energy: -3.167 local terms energy: -628.238482 where: bonds (distance) C4'-P energy: -125.220 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -129.589 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: -177.873 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: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1875.156697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.156697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.156697 (E_RNA) where: Base-Base interactions energy: -1278.802 where: short stacking energy: -565.931 Base-Backbone interact. energy: -1.596 local terms energy: -594.758747 where: bonds (distance) C4'-P energy: -103.216 bonds (distance) P-C4' energy: -113.271 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -101.451 tors. eta vs tors. theta energy: -154.093 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: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1624.357079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.357079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.357079 (E_RNA) where: Base-Base interactions energy: -1053.051 where: short stacking energy: -470.766 Base-Backbone interact. energy: 0.980 local terms energy: -572.286098 where: bonds (distance) C4'-P energy: -119.131 bonds (distance) P-C4' energy: -130.726 flat angles C4'-P-C4' energy: -127.019 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -117.204 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: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1554.203324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.203324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.203324 (E_RNA) where: Base-Base interactions energy: -1012.609 where: short stacking energy: -439.540 Base-Backbone interact. energy: 1.030 local terms energy: -542.624172 where: bonds (distance) C4'-P energy: -107.355 bonds (distance) P-C4' energy: -97.964 flat angles C4'-P-C4' energy: -135.813 flat angles P-C4'-P energy: -91.686 tors. eta vs tors. theta energy: -109.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1271.180141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.180141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.180141 (E_RNA) where: Base-Base interactions energy: -814.490 where: short stacking energy: -403.347 Base-Backbone interact. energy: 0.984 local terms energy: -457.674613 where: bonds (distance) C4'-P energy: -103.697 bonds (distance) P-C4' energy: -106.799 flat angles C4'-P-C4' energy: -103.509 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -94.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1055.158947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.158947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.158947 (E_RNA) where: Base-Base interactions energy: -598.395 where: short stacking energy: -281.656 Base-Backbone interact. energy: 2.925 local terms energy: -459.689200 where: bonds (distance) C4'-P energy: -115.949 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -127.030 flat angles P-C4'-P energy: -56.268 tors. eta vs tors. theta energy: -46.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -567.224420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.224420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.224420 (E_RNA) where: Base-Base interactions energy: -227.643 where: short stacking energy: -145.448 Base-Backbone interact. energy: 0.707 local terms energy: -340.287621 where: bonds (distance) C4'-P energy: -98.071 bonds (distance) P-C4' energy: -103.205 flat angles C4'-P-C4' energy: -105.198 flat angles P-C4'-P energy: -52.799 tors. eta vs tors. theta energy: 18.986 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: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2293.107805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.107805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.107805 (E_RNA) where: Base-Base interactions energy: -1592.773 where: short stacking energy: -651.032 Base-Backbone interact. energy: -3.705 local terms energy: -696.629126 where: bonds (distance) C4'-P energy: -139.396 bonds (distance) P-C4' energy: -120.905 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -93.496 tors. eta vs tors. theta energy: -194.268 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: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2170.491990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.491990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.491990 (E_RNA) where: Base-Base interactions energy: -1480.471 where: short stacking energy: -645.291 Base-Backbone interact. energy: -1.140 local terms energy: -688.881087 where: bonds (distance) C4'-P energy: -129.811 bonds (distance) P-C4' energy: -129.387 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -189.005 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: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2102.924533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.924533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.924533 (E_RNA) where: Base-Base interactions energy: -1468.241 where: short stacking energy: -623.059 Base-Backbone interact. energy: -1.489 local terms energy: -633.194786 where: bonds (distance) C4'-P energy: -109.133 bonds (distance) P-C4' energy: -120.657 flat angles C4'-P-C4' energy: -136.104 flat angles P-C4'-P energy: -93.006 tors. eta vs tors. theta energy: -174.295 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: 4, replica: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1939.435500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.435500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.435500 (E_RNA) where: Base-Base interactions energy: -1301.992 where: short stacking energy: -591.470 Base-Backbone interact. energy: 0.256 local terms energy: -637.698802 where: bonds (distance) C4'-P energy: -132.619 bonds (distance) P-C4' energy: -125.110 flat angles C4'-P-C4' energy: -136.366 flat angles P-C4'-P energy: -72.308 tors. eta vs tors. theta energy: -171.296 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1921.083170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.083170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.083170 (E_RNA) where: Base-Base interactions energy: -1308.989 where: short stacking energy: -577.872 Base-Backbone interact. energy: 2.029 local terms energy: -614.123168 where: bonds (distance) C4'-P energy: -124.403 bonds (distance) P-C4' energy: -124.811 flat angles C4'-P-C4' energy: -131.794 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -161.841 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: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1659.717874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.717874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.717874 (E_RNA) where: Base-Base interactions energy: -1100.235 where: short stacking energy: -468.877 Base-Backbone interact. energy: -2.607 local terms energy: -556.875497 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -121.568 flat angles C4'-P-C4' energy: -113.130 flat angles P-C4'-P energy: -71.872 tors. eta vs tors. theta energy: -146.073 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: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1512.393655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.393655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.393655 (E_RNA) where: Base-Base interactions energy: -976.356 where: short stacking energy: -435.871 Base-Backbone interact. energy: -1.807 local terms energy: -534.231272 where: bonds (distance) C4'-P energy: -114.933 bonds (distance) P-C4' energy: -109.569 flat angles C4'-P-C4' energy: -130.413 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -107.109 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: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1268.030778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.030778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.030778 (E_RNA) where: Base-Base interactions energy: -795.246 where: short stacking energy: -392.092 Base-Backbone interact. energy: 2.369 local terms energy: -475.153392 where: bonds (distance) C4'-P energy: -103.777 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -107.509 flat angles P-C4'-P energy: -69.093 tors. eta vs tors. theta energy: -84.796 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: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1004.630502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.630502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.630502 (E_RNA) where: Base-Base interactions energy: -552.999 where: short stacking energy: -282.092 Base-Backbone interact. energy: -1.033 local terms energy: -450.598084 where: bonds (distance) C4'-P energy: -117.392 bonds (distance) P-C4' energy: -107.661 flat angles C4'-P-C4' energy: -117.793 flat angles P-C4'-P energy: -62.635 tors. eta vs tors. theta energy: -45.117 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: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -617.268603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.268603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.268603 (E_RNA) where: Base-Base interactions energy: -256.620 where: short stacking energy: -160.012 Base-Backbone interact. energy: 3.262 local terms energy: -363.910777 where: bonds (distance) C4'-P energy: -108.196 bonds (distance) P-C4' energy: -111.752 flat angles C4'-P-C4' energy: -115.738 flat angles P-C4'-P energy: -43.758 tors. eta vs tors. theta energy: 15.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2307.861980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.861980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.861980 (E_RNA) where: Base-Base interactions energy: -1594.706 where: short stacking energy: -659.899 Base-Backbone interact. energy: -0.069 local terms energy: -713.087011 where: bonds (distance) C4'-P energy: -140.705 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -158.871 flat angles P-C4'-P energy: -88.998 tors. eta vs tors. theta energy: -195.406 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: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2160.175857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.175857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.175857 (E_RNA) where: Base-Base interactions energy: -1452.953 where: short stacking energy: -660.170 Base-Backbone interact. energy: 0.109 local terms energy: -707.331752 where: bonds (distance) C4'-P energy: -130.371 bonds (distance) P-C4' energy: -125.403 flat angles C4'-P-C4' energy: -152.395 flat angles P-C4'-P energy: -98.508 tors. eta vs tors. theta energy: -200.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2105.848654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.848654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.848654 (E_RNA) where: Base-Base interactions energy: -1481.551 where: short stacking energy: -608.950 Base-Backbone interact. energy: -1.883 local terms energy: -622.414639 where: bonds (distance) C4'-P energy: -121.300 bonds (distance) P-C4' energy: -116.755 flat angles C4'-P-C4' energy: -132.858 flat angles P-C4'-P energy: -91.377 tors. eta vs tors. theta energy: -160.124 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: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2016.734463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.734463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.734463 (E_RNA) where: Base-Base interactions energy: -1339.566 where: short stacking energy: -602.853 Base-Backbone interact. energy: -0.915 local terms energy: -676.253631 where: bonds (distance) C4'-P energy: -130.892 bonds (distance) P-C4' energy: -129.970 flat angles C4'-P-C4' energy: -144.716 flat angles P-C4'-P energy: -100.777 tors. eta vs tors. theta energy: -169.898 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: 5, replica: 7 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1854.925201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.925201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.925201 (E_RNA) where: Base-Base interactions energy: -1244.114 where: short stacking energy: -543.102 Base-Backbone interact. energy: 0.491 local terms energy: -611.302137 where: bonds (distance) C4'-P energy: -121.256 bonds (distance) P-C4' energy: -109.601 flat angles C4'-P-C4' energy: -128.910 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -158.447 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: 6, replica: 4 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1698.407588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.407588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.407588 (E_RNA) where: Base-Base interactions energy: -1113.959 where: short stacking energy: -480.829 Base-Backbone interact. energy: -1.782 local terms energy: -582.667416 where: bonds (distance) C4'-P energy: -125.064 bonds (distance) P-C4' energy: -115.949 flat angles C4'-P-C4' energy: -138.821 flat angles P-C4'-P energy: -68.557 tors. eta vs tors. theta energy: -134.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1489.002258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.002258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.002258 (E_RNA) where: Base-Base interactions energy: -969.972 where: short stacking energy: -434.813 Base-Backbone interact. energy: 2.207 local terms energy: -521.236608 where: bonds (distance) C4'-P energy: -115.248 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -131.620 flat angles P-C4'-P energy: -66.225 tors. eta vs tors. theta energy: -107.455 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: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1373.469692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.469692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.469692 (E_RNA) where: Base-Base interactions energy: -861.826 where: short stacking energy: -417.969 Base-Backbone interact. energy: -1.822 local terms energy: -509.821579 where: bonds (distance) C4'-P energy: -74.667 bonds (distance) P-C4' energy: -130.215 flat angles C4'-P-C4' energy: -125.673 flat angles P-C4'-P energy: -78.286 tors. eta vs tors. theta energy: -100.981 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: 6 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -991.884924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.884924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.884924 (E_RNA) where: Base-Base interactions energy: -580.525 where: short stacking energy: -290.572 Base-Backbone interact. energy: -0.036 local terms energy: -411.324347 where: bonds (distance) C4'-P energy: -110.202 bonds (distance) P-C4' energy: -99.047 flat angles C4'-P-C4' energy: -102.131 flat angles P-C4'-P energy: -62.574 tors. eta vs tors. theta energy: -37.370 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: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -651.038256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.038256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.038256 (E_RNA) where: Base-Base interactions energy: -281.127 where: short stacking energy: -190.398 Base-Backbone interact. energy: 2.831 local terms energy: -372.741473 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -115.552 flat angles C4'-P-C4' energy: -99.417 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: 1.394 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: 1, replica: 10 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2308.545939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.545939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.545939 (E_RNA) where: Base-Base interactions energy: -1579.646 where: short stacking energy: -670.488 Base-Backbone interact. energy: -3.370 local terms energy: -725.530076 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -138.182 flat angles C4'-P-C4' energy: -152.089 flat angles P-C4'-P energy: -95.687 tors. eta vs tors. theta energy: -198.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2139.858935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.858935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.858935 (E_RNA) where: Base-Base interactions energy: -1482.923 where: short stacking energy: -639.265 Base-Backbone interact. energy: -1.728 local terms energy: -655.207760 where: bonds (distance) C4'-P energy: -115.522 bonds (distance) P-C4' energy: -125.045 flat angles C4'-P-C4' energy: -142.180 flat angles P-C4'-P energy: -92.313 tors. eta vs tors. theta energy: -180.149 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: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2127.608672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.608672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.608672 (E_RNA) where: Base-Base interactions energy: -1509.180 where: short stacking energy: -592.361 Base-Backbone interact. energy: -1.922 local terms energy: -616.506440 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -134.060 flat angles P-C4'-P energy: -72.692 tors. eta vs tors. theta energy: -146.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2018.186065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.186065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.186065 (E_RNA) where: Base-Base interactions energy: -1363.377 where: short stacking energy: -585.603 Base-Backbone interact. energy: -4.810 local terms energy: -649.998661 where: bonds (distance) C4'-P energy: -126.065 bonds (distance) P-C4' energy: -117.507 flat angles C4'-P-C4' energy: -146.493 flat angles P-C4'-P energy: -88.801 tors. eta vs tors. theta energy: -171.132 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: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1864.143216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.143216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.143216 (E_RNA) where: Base-Base interactions energy: -1245.091 where: short stacking energy: -553.238 Base-Backbone interact. energy: -1.690 local terms energy: -617.361989 where: bonds (distance) C4'-P energy: -108.988 bonds (distance) P-C4' energy: -118.155 flat angles C4'-P-C4' energy: -132.838 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -171.848 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: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1579.136978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.136978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.136978 (E_RNA) where: Base-Base interactions energy: -1041.112 where: short stacking energy: -480.476 Base-Backbone interact. energy: -3.878 local terms energy: -534.147392 where: bonds (distance) C4'-P energy: -117.817 bonds (distance) P-C4' energy: -118.884 flat angles C4'-P-C4' energy: -128.156 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -115.045 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: 7, replica: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1523.849479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.849479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.849479 (E_RNA) where: Base-Base interactions energy: -995.280 where: short stacking energy: -433.108 Base-Backbone interact. energy: -1.248 local terms energy: -527.321305 where: bonds (distance) C4'-P energy: -94.777 bonds (distance) P-C4' energy: -117.588 flat angles C4'-P-C4' energy: -122.332 flat angles P-C4'-P energy: -76.372 tors. eta vs tors. theta energy: -116.252 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: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1386.128706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.128706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.128706 (E_RNA) where: Base-Base interactions energy: -891.544 where: short stacking energy: -419.996 Base-Backbone interact. energy: -2.254 local terms energy: -492.330581 where: bonds (distance) C4'-P energy: -101.611 bonds (distance) P-C4' energy: -115.358 flat angles C4'-P-C4' energy: -120.738 flat angles P-C4'-P energy: -63.410 tors. eta vs tors. theta energy: -91.213 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: 6 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -962.832585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.832585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.832585 (E_RNA) where: Base-Base interactions energy: -556.942 where: short stacking energy: -272.880 Base-Backbone interact. energy: 0.911 local terms energy: -406.801125 where: bonds (distance) C4'-P energy: -108.680 bonds (distance) P-C4' energy: -102.515 flat angles C4'-P-C4' energy: -89.596 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -34.431 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: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -596.446759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.446759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.446759 (E_RNA) where: Base-Base interactions energy: -267.908 where: short stacking energy: -173.004 Base-Backbone interact. energy: 3.742 local terms energy: -332.280302 where: bonds (distance) C4'-P energy: -75.428 bonds (distance) P-C4' energy: -104.922 flat angles C4'-P-C4' energy: -103.966 flat angles P-C4'-P energy: -65.549 tors. eta vs tors. theta energy: 17.584 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: 10 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2312.489755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.489755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.489755 (E_RNA) where: Base-Base interactions energy: -1604.432 where: short stacking energy: -676.530 Base-Backbone interact. energy: -1.306 local terms energy: -706.751732 where: bonds (distance) C4'-P energy: -125.443 bonds (distance) P-C4' energy: -133.514 flat angles C4'-P-C4' energy: -153.072 flat angles P-C4'-P energy: -103.397 tors. eta vs tors. theta energy: -191.326 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: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2149.487718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.487718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.487718 (E_RNA) where: Base-Base interactions energy: -1465.951 where: short stacking energy: -648.491 Base-Backbone interact. energy: -2.751 local terms energy: -680.786053 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -135.053 flat angles C4'-P-C4' energy: -133.285 flat angles P-C4'-P energy: -89.668 tors. eta vs tors. theta energy: -198.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2092.417911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.417911 (E_RNA) where: Base-Base interactions energy: -1419.454 where: short stacking energy: -608.822 Base-Backbone interact. energy: -2.121 local terms energy: -670.842510 where: bonds (distance) C4'-P energy: -135.288 bonds (distance) P-C4' energy: -113.198 flat angles C4'-P-C4' energy: -144.853 flat angles P-C4'-P energy: -96.473 tors. eta vs tors. theta energy: -181.030 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: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1995.880080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.880080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.880080 (E_RNA) where: Base-Base interactions energy: -1358.832 where: short stacking energy: -579.032 Base-Backbone interact. energy: -4.077 local terms energy: -632.971100 where: bonds (distance) C4'-P energy: -113.840 bonds (distance) P-C4' energy: -120.066 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -92.781 tors. eta vs tors. theta energy: -165.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1913.622148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.622148 (E_RNA) where: Base-Base interactions energy: -1271.938 where: short stacking energy: -580.345 Base-Backbone interact. energy: -0.676 local terms energy: -641.007578 where: bonds (distance) C4'-P energy: -113.696 bonds (distance) P-C4' energy: -134.968 flat angles C4'-P-C4' energy: -140.760 flat angles P-C4'-P energy: -82.649 tors. eta vs tors. theta energy: -168.935 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: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1588.882503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.882503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.882503 (E_RNA) where: Base-Base interactions energy: -1055.154 where: short stacking energy: -459.077 Base-Backbone interact. energy: 0.459 local terms energy: -534.187656 where: bonds (distance) C4'-P energy: -112.097 bonds (distance) P-C4' energy: -109.642 flat angles C4'-P-C4' energy: -132.008 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -108.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1511.500217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.500217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.500217 (E_RNA) where: Base-Base interactions energy: -989.549 where: short stacking energy: -412.730 Base-Backbone interact. energy: -4.041 local terms energy: -517.910143 where: bonds (distance) C4'-P energy: -105.275 bonds (distance) P-C4' energy: -115.015 flat angles C4'-P-C4' energy: -124.790 flat angles P-C4'-P energy: -70.238 tors. eta vs tors. theta energy: -102.593 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: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1322.762952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.762952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.762952 (E_RNA) where: Base-Base interactions energy: -842.496 where: short stacking energy: -361.739 Base-Backbone interact. energy: -0.178 local terms energy: -480.088770 where: bonds (distance) C4'-P energy: -103.895 bonds (distance) P-C4' energy: -107.528 flat angles C4'-P-C4' energy: -117.119 flat angles P-C4'-P energy: -71.263 tors. eta vs tors. theta energy: -80.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -964.649150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.649150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.649150 (E_RNA) where: Base-Base interactions energy: -530.428 where: short stacking energy: -273.831 Base-Backbone interact. energy: -1.900 local terms energy: -432.320898 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -107.748 flat angles C4'-P-C4' energy: -122.540 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: -33.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -583.675533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.675533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.675533 (E_RNA) where: Base-Base interactions energy: -249.928 where: short stacking energy: -148.770 Base-Backbone interact. energy: -3.276 local terms energy: -330.471211 where: bonds (distance) C4'-P energy: -115.564 bonds (distance) P-C4' energy: -94.187 flat angles C4'-P-C4' energy: -83.679 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: 31.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2302.901801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.901801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.901801 (E_RNA) where: Base-Base interactions energy: -1582.819 where: short stacking energy: -666.169 Base-Backbone interact. energy: -3.411 local terms energy: -716.672193 where: bonds (distance) C4'-P energy: -134.440 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -152.759 flat angles P-C4'-P energy: -110.323 tors. eta vs tors. theta energy: -192.566 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: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2146.713821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.713821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.713821 (E_RNA) where: Base-Base interactions energy: -1456.705 where: short stacking energy: -608.862 Base-Backbone interact. energy: -4.263 local terms energy: -685.745483 where: bonds (distance) C4'-P energy: -132.706 bonds (distance) P-C4' energy: -130.033 flat angles C4'-P-C4' energy: -142.088 flat angles P-C4'-P energy: -92.197 tors. eta vs tors. theta energy: -188.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2066.592098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.592098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.592098 (E_RNA) where: Base-Base interactions energy: -1438.199 where: short stacking energy: -597.244 Base-Backbone interact. energy: 2.434 local terms energy: -630.827181 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -116.236 flat angles C4'-P-C4' energy: -143.114 flat angles P-C4'-P energy: -86.918 tors. eta vs tors. theta energy: -155.056 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: 3 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2036.483778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.483778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.483778 (E_RNA) where: Base-Base interactions energy: -1408.046 where: short stacking energy: -611.857 Base-Backbone interact. energy: -2.440 local terms energy: -625.998208 where: bonds (distance) C4'-P energy: -104.320 bonds (distance) P-C4' energy: -121.641 flat angles C4'-P-C4' energy: -141.357 flat angles P-C4'-P energy: -84.763 tors. eta vs tors. theta energy: -173.918 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: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1881.946178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.946178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.946178 (E_RNA) where: Base-Base interactions energy: -1253.295 where: short stacking energy: -541.214 Base-Backbone interact. energy: -1.526 local terms energy: -627.124781 where: bonds (distance) C4'-P energy: -117.387 bonds (distance) P-C4' energy: -127.065 flat angles C4'-P-C4' energy: -142.672 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -153.552 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: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1595.329928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.329928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.329928 (E_RNA) where: Base-Base interactions energy: -1029.852 where: short stacking energy: -446.260 Base-Backbone interact. energy: -2.383 local terms energy: -563.094288 where: bonds (distance) C4'-P energy: -106.615 bonds (distance) P-C4' energy: -138.203 flat angles C4'-P-C4' energy: -136.690 flat angles P-C4'-P energy: -80.694 tors. eta vs tors. theta energy: -100.893 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: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1463.886922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.886922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.886922 (E_RNA) where: Base-Base interactions energy: -955.339 where: short stacking energy: -428.387 Base-Backbone interact. energy: 0.874 local terms energy: -509.422207 where: bonds (distance) C4'-P energy: -106.675 bonds (distance) P-C4' energy: -96.400 flat angles C4'-P-C4' energy: -122.507 flat angles P-C4'-P energy: -77.453 tors. eta vs tors. theta energy: -106.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1385.202025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.202025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.202025 (E_RNA) where: Base-Base interactions energy: -904.930 where: short stacking energy: -376.275 Base-Backbone interact. energy: -1.717 local terms energy: -478.554660 where: bonds (distance) C4'-P energy: -104.895 bonds (distance) P-C4' energy: -105.525 flat angles C4'-P-C4' energy: -107.242 flat angles P-C4'-P energy: -81.122 tors. eta vs tors. theta energy: -79.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1065.691405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.691405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.691405 (E_RNA) where: Base-Base interactions energy: -594.006 where: short stacking energy: -314.220 Base-Backbone interact. energy: -0.921 local terms energy: -470.764859 where: bonds (distance) C4'-P energy: -114.295 bonds (distance) P-C4' energy: -124.105 flat angles C4'-P-C4' energy: -105.885 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -51.726 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: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -575.730698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.730698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.730698 (E_RNA) where: Base-Base interactions energy: -244.719 where: short stacking energy: -177.924 Base-Backbone interact. energy: -1.521 local terms energy: -329.490453 where: bonds (distance) C4'-P energy: -116.020 bonds (distance) P-C4' energy: -84.874 flat angles C4'-P-C4' energy: -106.166 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: 28.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2272.377952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.377952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.377952 (E_RNA) where: Base-Base interactions energy: -1539.269 where: short stacking energy: -648.586 Base-Backbone interact. energy: 0.068 local terms energy: -733.176746 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -141.311 flat angles C4'-P-C4' energy: -150.588 flat angles P-C4'-P energy: -103.924 tors. eta vs tors. theta energy: -198.606 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: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2168.836925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.836925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.836925 (E_RNA) where: Base-Base interactions energy: -1498.588 where: short stacking energy: -641.037 Base-Backbone interact. energy: -2.702 local terms energy: -667.547292 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -134.418 flat angles C4'-P-C4' energy: -152.359 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: -174.396 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: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2084.668775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.668775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.668775 (E_RNA) where: Base-Base interactions energy: -1470.810 where: short stacking energy: -581.588 Base-Backbone interact. energy: -3.730 local terms energy: -610.128779 where: bonds (distance) C4'-P energy: -124.386 bonds (distance) P-C4' energy: -112.224 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -84.034 tors. eta vs tors. theta energy: -156.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1989.190907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.190907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.190907 (E_RNA) where: Base-Base interactions energy: -1382.662 where: short stacking energy: -584.743 Base-Backbone interact. energy: -3.594 local terms energy: -602.934925 where: bonds (distance) C4'-P energy: -114.595 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -131.303 flat angles P-C4'-P energy: -86.693 tors. eta vs tors. theta energy: -160.358 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: 5, replica: 7 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1895.293142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.293142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.293142 (E_RNA) where: Base-Base interactions energy: -1253.043 where: short stacking energy: -546.123 Base-Backbone interact. energy: -3.183 local terms energy: -639.066822 where: bonds (distance) C4'-P energy: -123.501 bonds (distance) P-C4' energy: -137.319 flat angles C4'-P-C4' energy: -148.280 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -151.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1700.817772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.817772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.817772 (E_RNA) where: Base-Base interactions energy: -1118.924 where: short stacking energy: -499.084 Base-Backbone interact. energy: -0.831 local terms energy: -581.062902 where: bonds (distance) C4'-P energy: -98.334 bonds (distance) P-C4' energy: -131.347 flat angles C4'-P-C4' energy: -128.743 flat angles P-C4'-P energy: -82.561 tors. eta vs tors. theta energy: -140.078 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: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1539.011302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.011302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.011302 (E_RNA) where: Base-Base interactions energy: -1024.616 where: short stacking energy: -456.134 Base-Backbone interact. energy: 2.179 local terms energy: -516.574489 where: bonds (distance) C4'-P energy: -106.455 bonds (distance) P-C4' energy: -103.270 flat angles C4'-P-C4' energy: -113.764 flat angles P-C4'-P energy: -72.202 tors. eta vs tors. theta energy: -120.883 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: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1393.963989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.963989 (E_RNA) where: Base-Base interactions energy: -902.245 where: short stacking energy: -370.549 Base-Backbone interact. energy: 4.441 local terms energy: -496.160419 where: bonds (distance) C4'-P energy: -107.364 bonds (distance) P-C4' energy: -127.100 flat angles C4'-P-C4' energy: -109.658 flat angles P-C4'-P energy: -75.379 tors. eta vs tors. theta energy: -76.659 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: 6 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -954.656356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.656356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.656356 (E_RNA) where: Base-Base interactions energy: -569.121 where: short stacking energy: -289.670 Base-Backbone interact. energy: -2.836 local terms energy: -382.699173 where: bonds (distance) C4'-P energy: -99.688 bonds (distance) P-C4' energy: -86.293 flat angles C4'-P-C4' energy: -110.047 flat angles P-C4'-P energy: -50.703 tors. eta vs tors. theta energy: -35.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -629.358731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.358731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.358731 (E_RNA) where: Base-Base interactions energy: -280.569 where: short stacking energy: -162.729 Base-Backbone interact. energy: 4.623 local terms energy: -353.413149 where: bonds (distance) C4'-P energy: -99.205 bonds (distance) P-C4' energy: -105.294 flat angles C4'-P-C4' energy: -101.218 flat angles P-C4'-P energy: -66.434 tors. eta vs tors. theta energy: 18.737 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: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2277.036121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.036121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.036121 (E_RNA) where: Base-Base interactions energy: -1550.251 where: short stacking energy: -650.033 Base-Backbone interact. energy: -4.735 local terms energy: -722.049543 where: bonds (distance) C4'-P energy: -130.135 bonds (distance) P-C4' energy: -136.487 flat angles C4'-P-C4' energy: -152.504 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -199.084 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: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2169.077624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.077624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.077624 (E_RNA) where: Base-Base interactions energy: -1486.342 where: short stacking energy: -634.988 Base-Backbone interact. energy: -0.510 local terms energy: -682.225074 where: bonds (distance) C4'-P energy: -116.056 bonds (distance) P-C4' energy: -133.075 flat angles C4'-P-C4' energy: -142.111 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -187.436 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: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2037.922455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.922455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.922455 (E_RNA) where: Base-Base interactions energy: -1384.882 where: short stacking energy: -600.419 Base-Backbone interact. energy: -5.082 local terms energy: -647.958782 where: bonds (distance) C4'-P energy: -110.777 bonds (distance) P-C4' energy: -124.047 flat angles C4'-P-C4' energy: -136.289 flat angles P-C4'-P energy: -98.903 tors. eta vs tors. theta energy: -177.943 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: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2028.267674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.267674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.267674 (E_RNA) where: Base-Base interactions energy: -1399.029 where: short stacking energy: -572.950 Base-Backbone interact. energy: 1.347 local terms energy: -630.585911 where: bonds (distance) C4'-P energy: -115.192 bonds (distance) P-C4' energy: -133.903 flat angles C4'-P-C4' energy: -132.850 flat angles P-C4'-P energy: -93.511 tors. eta vs tors. theta energy: -155.129 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: 5, replica: 7 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1861.329906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.329906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.329906 (E_RNA) where: Base-Base interactions energy: -1223.279 where: short stacking energy: -538.724 Base-Backbone interact. energy: -0.450 local terms energy: -637.600899 where: bonds (distance) C4'-P energy: -119.880 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -127.460 flat angles P-C4'-P energy: -93.156 tors. eta vs tors. theta energy: -167.907 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: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1681.169837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.169837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.169837 (E_RNA) where: Base-Base interactions energy: -1109.215 where: short stacking energy: -497.806 Base-Backbone interact. energy: -2.617 local terms energy: -569.337126 where: bonds (distance) C4'-P energy: -113.389 bonds (distance) P-C4' energy: -118.685 flat angles C4'-P-C4' energy: -127.122 flat angles P-C4'-P energy: -87.356 tors. eta vs tors. theta energy: -122.785 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: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1558.554702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.554702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.554702 (E_RNA) where: Base-Base interactions energy: -1037.306 where: short stacking energy: -472.928 Base-Backbone interact. energy: -3.722 local terms energy: -517.526882 where: bonds (distance) C4'-P energy: -109.220 bonds (distance) P-C4' energy: -85.339 flat angles C4'-P-C4' energy: -114.642 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -132.469 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: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1476.110692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.110692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.110692 (E_RNA) where: Base-Base interactions energy: -954.463 where: short stacking energy: -413.888 Base-Backbone interact. energy: -3.499 local terms energy: -518.148365 where: bonds (distance) C4'-P energy: -100.835 bonds (distance) P-C4' energy: -126.345 flat angles C4'-P-C4' energy: -124.430 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: -95.300 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: 6 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -956.075110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.075110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.075110 (E_RNA) where: Base-Base interactions energy: -584.300 where: short stacking energy: -266.866 Base-Backbone interact. energy: 2.922 local terms energy: -374.696770 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -111.212 flat angles C4'-P-C4' energy: -81.266 flat angles P-C4'-P energy: -63.453 tors. eta vs tors. theta energy: -24.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -640.737875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.737875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.737875 (E_RNA) where: Base-Base interactions energy: -295.476 where: short stacking energy: -171.503 Base-Backbone interact. energy: -1.536 local terms energy: -343.725751 where: bonds (distance) C4'-P energy: -94.612 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -85.341 flat angles P-C4'-P energy: -62.460 tors. eta vs tors. theta energy: 13.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2310.799973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.799973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.799973 (E_RNA) where: Base-Base interactions energy: -1577.457 where: short stacking energy: -664.549 Base-Backbone interact. energy: 0.270 local terms energy: -733.613346 where: bonds (distance) C4'-P energy: -136.966 bonds (distance) P-C4' energy: -134.300 flat angles C4'-P-C4' energy: -142.578 flat angles P-C4'-P energy: -111.097 tors. eta vs tors. theta energy: -208.673 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: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2170.657907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.657907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.657907 (E_RNA) where: Base-Base interactions energy: -1482.195 where: short stacking energy: -635.036 Base-Backbone interact. energy: 0.149 local terms energy: -688.611866 where: bonds (distance) C4'-P energy: -124.164 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -149.837 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -187.471 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: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2072.388684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.388684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.388684 (E_RNA) where: Base-Base interactions energy: -1414.275 where: short stacking energy: -609.801 Base-Backbone interact. energy: -4.822 local terms energy: -653.291823 where: bonds (distance) C4'-P energy: -104.563 bonds (distance) P-C4' energy: -125.097 flat angles C4'-P-C4' energy: -148.723 flat angles P-C4'-P energy: -99.908 tors. eta vs tors. theta energy: -175.002 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: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2016.108580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.108580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.108580 (E_RNA) where: Base-Base interactions energy: -1383.013 where: short stacking energy: -585.097 Base-Backbone interact. energy: 0.183 local terms energy: -633.277881 where: bonds (distance) C4'-P energy: -125.605 bonds (distance) P-C4' energy: -111.724 flat angles C4'-P-C4' energy: -138.297 flat angles P-C4'-P energy: -106.098 tors. eta vs tors. theta energy: -151.554 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: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1860.627025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.627025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.627025 (E_RNA) where: Base-Base interactions energy: -1242.641 where: short stacking energy: -522.299 Base-Backbone interact. energy: -2.611 local terms energy: -615.374748 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -119.029 flat angles C4'-P-C4' energy: -136.710 flat angles P-C4'-P energy: -83.734 tors. eta vs tors. theta energy: -147.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1697.199055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.199055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.199055 (E_RNA) where: Base-Base interactions energy: -1153.795 where: short stacking energy: -510.849 Base-Backbone interact. energy: -1.852 local terms energy: -541.552356 where: bonds (distance) C4'-P energy: -92.341 bonds (distance) P-C4' energy: -104.358 flat angles C4'-P-C4' energy: -126.813 flat angles P-C4'-P energy: -84.806 tors. eta vs tors. theta energy: -133.235 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: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1486.333888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.333888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.333888 (E_RNA) where: Base-Base interactions energy: -961.743 where: short stacking energy: -425.936 Base-Backbone interact. energy: 1.260 local terms energy: -525.851324 where: bonds (distance) C4'-P energy: -112.827 bonds (distance) P-C4' energy: -110.809 flat angles C4'-P-C4' energy: -119.439 flat angles P-C4'-P energy: -69.991 tors. eta vs tors. theta energy: -112.785 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: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1413.996498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.996498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.996498 (E_RNA) where: Base-Base interactions energy: -904.152 where: short stacking energy: -364.303 Base-Backbone interact. energy: -0.820 local terms energy: -509.024951 where: bonds (distance) C4'-P energy: -116.805 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -112.253 flat angles P-C4'-P energy: -75.359 tors. eta vs tors. theta energy: -83.379 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: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -967.500217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.500217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.500217 (E_RNA) where: Base-Base interactions energy: -532.714 where: short stacking energy: -244.188 Base-Backbone interact. energy: -1.854 local terms energy: -432.932180 where: bonds (distance) C4'-P energy: -112.798 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -96.988 flat angles P-C4'-P energy: -79.631 tors. eta vs tors. theta energy: -23.637 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: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -569.485442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.485442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.485442 (E_RNA) where: Base-Base interactions energy: -243.071 where: short stacking energy: -165.304 Base-Backbone interact. energy: 1.893 local terms energy: -328.307350 where: bonds (distance) C4'-P energy: -109.544 bonds (distance) P-C4' energy: -99.483 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -60.640 tors. eta vs tors. theta energy: 24.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2286.459942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.459942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.459942 (E_RNA) where: Base-Base interactions energy: -1553.358 where: short stacking energy: -651.304 Base-Backbone interact. energy: -0.934 local terms energy: -732.168185 where: bonds (distance) C4'-P energy: -138.695 bonds (distance) P-C4' energy: -140.581 flat angles C4'-P-C4' energy: -150.412 flat angles P-C4'-P energy: -105.850 tors. eta vs tors. theta energy: -196.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2167.672441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.672441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.672441 (E_RNA) where: Base-Base interactions energy: -1472.165 where: short stacking energy: -641.666 Base-Backbone interact. energy: -3.571 local terms energy: -691.936404 where: bonds (distance) C4'-P energy: -135.556 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -143.563 flat angles P-C4'-P energy: -101.806 tors. eta vs tors. theta energy: -175.000 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: 3, replica: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2086.517925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.517925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.517925 (E_RNA) where: Base-Base interactions energy: -1428.901 where: short stacking energy: -600.057 Base-Backbone interact. energy: -4.202 local terms energy: -653.414582 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -133.851 flat angles C4'-P-C4' energy: -144.911 flat angles P-C4'-P energy: -90.254 tors. eta vs tors. theta energy: -167.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2032.217930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.217930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.217930 (E_RNA) where: Base-Base interactions energy: -1390.094 where: short stacking energy: -579.879 Base-Backbone interact. energy: -3.395 local terms energy: -638.729583 where: bonds (distance) C4'-P energy: -117.269 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -140.645 flat angles P-C4'-P energy: -82.230 tors. eta vs tors. theta energy: -167.404 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1871.033143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.033143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.033143 (E_RNA) where: Base-Base interactions energy: -1259.495 where: short stacking energy: -550.346 Base-Backbone interact. energy: -3.931 local terms energy: -607.607312 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -108.718 flat angles C4'-P-C4' energy: -145.453 flat angles P-C4'-P energy: -90.143 tors. eta vs tors. theta energy: -157.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1672.764353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.764353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.764353 (E_RNA) where: Base-Base interactions energy: -1090.049 where: short stacking energy: -493.709 Base-Backbone interact. energy: -1.443 local terms energy: -581.272567 where: bonds (distance) C4'-P energy: -112.575 bonds (distance) P-C4' energy: -124.469 flat angles C4'-P-C4' energy: -129.945 flat angles P-C4'-P energy: -80.475 tors. eta vs tors. theta energy: -133.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1571.090831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.090831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.090831 (E_RNA) where: Base-Base interactions energy: -1020.072 where: short stacking energy: -449.493 Base-Backbone interact. energy: -0.240 local terms energy: -550.779146 where: bonds (distance) C4'-P energy: -110.715 bonds (distance) P-C4' energy: -133.917 flat angles C4'-P-C4' energy: -129.067 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -106.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1400.264334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.264334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.264334 (E_RNA) where: Base-Base interactions energy: -921.620 where: short stacking energy: -411.313 Base-Backbone interact. energy: -1.465 local terms energy: -477.179398 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -115.775 flat angles P-C4'-P energy: -69.260 tors. eta vs tors. theta energy: -98.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1009.887646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.887646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.887646 (E_RNA) where: Base-Base interactions energy: -608.491 where: short stacking energy: -283.232 Base-Backbone interact. energy: -2.395 local terms energy: -399.001752 where: bonds (distance) C4'-P energy: -100.678 bonds (distance) P-C4' energy: -108.443 flat angles C4'-P-C4' energy: -103.339 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -26.654 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: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -588.046457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.046457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.046457 (E_RNA) where: Base-Base interactions energy: -251.912 where: short stacking energy: -174.552 Base-Backbone interact. energy: -4.997 local terms energy: -331.137474 where: bonds (distance) C4'-P energy: -109.492 bonds (distance) P-C4' energy: -108.967 flat angles C4'-P-C4' energy: -88.416 flat angles P-C4'-P energy: -36.760 tors. eta vs tors. theta energy: 12.498 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: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2301.864268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.864268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.864268 (E_RNA) where: Base-Base interactions energy: -1598.666 where: short stacking energy: -645.891 Base-Backbone interact. energy: -3.724 local terms energy: -699.474136 where: bonds (distance) C4'-P energy: -127.195 bonds (distance) P-C4' energy: -132.594 flat angles C4'-P-C4' energy: -146.091 flat angles P-C4'-P energy: -95.037 tors. eta vs tors. theta energy: -198.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2179.759252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.759252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.759252 (E_RNA) where: Base-Base interactions energy: -1506.447 where: short stacking energy: -638.191 Base-Backbone interact. energy: -5.364 local terms energy: -667.948331 where: bonds (distance) C4'-P energy: -130.648 bonds (distance) P-C4' energy: -124.123 flat angles C4'-P-C4' energy: -156.442 flat angles P-C4'-P energy: -86.335 tors. eta vs tors. theta energy: -170.401 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: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2070.042284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.042284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.042284 (E_RNA) where: Base-Base interactions energy: -1423.352 where: short stacking energy: -613.034 Base-Backbone interact. energy: -5.496 local terms energy: -641.193907 where: bonds (distance) C4'-P energy: -116.490 bonds (distance) P-C4' energy: -133.565 flat angles C4'-P-C4' energy: -136.580 flat angles P-C4'-P energy: -88.296 tors. eta vs tors. theta energy: -166.262 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: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2004.379905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.379905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.379905 (E_RNA) where: Base-Base interactions energy: -1382.841 where: short stacking energy: -564.970 Base-Backbone interact. energy: -2.858 local terms energy: -618.680186 where: bonds (distance) C4'-P energy: -116.637 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -139.976 flat angles P-C4'-P energy: -74.130 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: 165 Temperature: 1.100000 Total energy: -1930.056469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.056469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.056469 (E_RNA) where: Base-Base interactions energy: -1315.453 where: short stacking energy: -567.421 Base-Backbone interact. energy: -1.252 local terms energy: -613.352271 where: bonds (distance) C4'-P energy: -102.937 bonds (distance) P-C4' energy: -115.047 flat angles C4'-P-C4' energy: -136.361 flat angles P-C4'-P energy: -95.763 tors. eta vs tors. theta energy: -163.244 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: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1632.097695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.097695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.097695 (E_RNA) where: Base-Base interactions energy: -1071.472 where: short stacking energy: -454.218 Base-Backbone interact. energy: -3.262 local terms energy: -557.363795 where: bonds (distance) C4'-P energy: -104.748 bonds (distance) P-C4' energy: -117.513 flat angles C4'-P-C4' energy: -133.228 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: -120.744 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: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1550.668374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.668374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.668374 (E_RNA) where: Base-Base interactions energy: -1015.682 where: short stacking energy: -474.840 Base-Backbone interact. energy: 2.354 local terms energy: -537.340882 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -114.811 flat angles C4'-P-C4' energy: -128.643 flat angles P-C4'-P energy: -66.855 tors. eta vs tors. theta energy: -122.330 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: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1338.054352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.054352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.054352 (E_RNA) where: Base-Base interactions energy: -852.325 where: short stacking energy: -367.606 Base-Backbone interact. energy: -3.059 local terms energy: -482.671151 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -115.965 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -85.039 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: 6 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -978.634124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.634124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.634124 (E_RNA) where: Base-Base interactions energy: -573.240 where: short stacking energy: -288.066 Base-Backbone interact. energy: 1.251 local terms energy: -406.645022 where: bonds (distance) C4'-P energy: -95.573 bonds (distance) P-C4' energy: -125.565 flat angles C4'-P-C4' energy: -103.381 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -25.125 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: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -603.062365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.062365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.062365 (E_RNA) where: Base-Base interactions energy: -212.395 where: short stacking energy: -141.589 Base-Backbone interact. energy: -1.938 local terms energy: -388.729705 where: bonds (distance) C4'-P energy: -114.768 bonds (distance) P-C4' energy: -107.944 flat angles C4'-P-C4' energy: -108.303 flat angles P-C4'-P energy: -73.585 tors. eta vs tors. theta energy: 15.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2314.829182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.829182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.829182 (E_RNA) where: Base-Base interactions energy: -1581.035 where: short stacking energy: -656.038 Base-Backbone interact. energy: -1.989 local terms energy: -731.805495 where: bonds (distance) C4'-P energy: -140.258 bonds (distance) P-C4' energy: -137.887 flat angles C4'-P-C4' energy: -156.378 flat angles P-C4'-P energy: -107.891 tors. eta vs tors. theta energy: -189.392 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: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2194.764250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.764250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.764250 (E_RNA) where: Base-Base interactions energy: -1493.802 where: short stacking energy: -652.454 Base-Backbone interact. energy: -1.602 local terms energy: -699.360977 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -123.317 flat angles C4'-P-C4' energy: -151.567 flat angles P-C4'-P energy: -105.476 tors. eta vs tors. theta energy: -186.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2057.941469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.941469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.941469 (E_RNA) where: Base-Base interactions energy: -1401.274 where: short stacking energy: -606.396 Base-Backbone interact. energy: 0.633 local terms energy: -657.300036 where: bonds (distance) C4'-P energy: -122.794 bonds (distance) P-C4' energy: -125.699 flat angles C4'-P-C4' energy: -140.033 flat angles P-C4'-P energy: -103.706 tors. eta vs tors. theta energy: -165.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1990.675038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.675038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.675038 (E_RNA) where: Base-Base interactions energy: -1374.055 where: short stacking energy: -550.305 Base-Backbone interact. energy: -1.512 local terms energy: -615.107721 where: bonds (distance) C4'-P energy: -127.635 bonds (distance) P-C4' energy: -96.067 flat angles C4'-P-C4' energy: -125.850 flat angles P-C4'-P energy: -108.125 tors. eta vs tors. theta energy: -157.431 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: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1882.918153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.918153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.918153 (E_RNA) where: Base-Base interactions energy: -1240.026 where: short stacking energy: -538.726 Base-Backbone interact. energy: -0.079 local terms energy: -642.812248 where: bonds (distance) C4'-P energy: -122.661 bonds (distance) P-C4' energy: -110.174 flat angles C4'-P-C4' energy: -143.549 flat angles P-C4'-P energy: -95.587 tors. eta vs tors. theta energy: -170.841 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: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1592.466253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.466253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.466253 (E_RNA) where: Base-Base interactions energy: -1035.489 where: short stacking energy: -462.155 Base-Backbone interact. energy: -1.925 local terms energy: -555.052675 where: bonds (distance) C4'-P energy: -102.398 bonds (distance) P-C4' energy: -141.498 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -119.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1519.185320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.185320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.185320 (E_RNA) where: Base-Base interactions energy: -998.334 where: short stacking energy: -444.223 Base-Backbone interact. energy: -2.949 local terms energy: -517.902551 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -109.591 flat angles C4'-P-C4' energy: -117.828 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -99.016 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: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1400.129055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.129055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.129055 (E_RNA) where: Base-Base interactions energy: -905.952 where: short stacking energy: -415.041 Base-Backbone interact. energy: 1.547 local terms energy: -495.723603 where: bonds (distance) C4'-P energy: -105.657 bonds (distance) P-C4' energy: -99.467 flat angles C4'-P-C4' energy: -119.769 flat angles P-C4'-P energy: -77.868 tors. eta vs tors. theta energy: -92.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1052.173136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.173136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.173136 (E_RNA) where: Base-Base interactions energy: -588.370 where: short stacking energy: -273.645 Base-Backbone interact. energy: 4.783 local terms energy: -468.585749 where: bonds (distance) C4'-P energy: -106.461 bonds (distance) P-C4' energy: -129.645 flat angles C4'-P-C4' energy: -120.364 flat angles P-C4'-P energy: -76.358 tors. eta vs tors. theta energy: -35.758 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: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -596.690656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.690656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.690656 (E_RNA) where: Base-Base interactions energy: -248.204 where: short stacking energy: -163.218 Base-Backbone interact. energy: -4.801 local terms energy: -343.685790 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -104.271 flat angles C4'-P-C4' energy: -90.062 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: 6.218 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: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2280.391534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.391534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.391534 (E_RNA) where: Base-Base interactions energy: -1590.705 where: short stacking energy: -657.954 Base-Backbone interact. energy: -0.199 local terms energy: -689.487344 where: bonds (distance) C4'-P energy: -123.793 bonds (distance) P-C4' energy: -125.627 flat angles C4'-P-C4' energy: -147.558 flat angles P-C4'-P energy: -105.958 tors. eta vs tors. theta energy: -186.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2200.266570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.266570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.266570 (E_RNA) where: Base-Base interactions energy: -1502.719 where: short stacking energy: -635.024 Base-Backbone interact. energy: -0.070 local terms energy: -697.477233 where: bonds (distance) C4'-P energy: -124.907 bonds (distance) P-C4' energy: -139.958 flat angles C4'-P-C4' energy: -143.663 flat angles P-C4'-P energy: -100.980 tors. eta vs tors. theta energy: -187.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2074.086217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.086217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.086217 (E_RNA) where: Base-Base interactions energy: -1428.011 where: short stacking energy: -613.123 Base-Backbone interact. energy: -2.810 local terms energy: -643.265126 where: bonds (distance) C4'-P energy: -140.152 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -139.262 flat angles P-C4'-P energy: -68.146 tors. eta vs tors. theta energy: -165.379 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1959.860559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.860559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.860559 (E_RNA) where: Base-Base interactions energy: -1346.207 where: short stacking energy: -552.882 Base-Backbone interact. energy: -0.474 local terms energy: -613.179555 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -126.641 flat angles C4'-P-C4' energy: -128.937 flat angles P-C4'-P energy: -82.288 tors. eta vs tors. theta energy: -147.229 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: 5, replica: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1898.378330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.378330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.378330 (E_RNA) where: Base-Base interactions energy: -1306.108 where: short stacking energy: -561.870 Base-Backbone interact. energy: 1.540 local terms energy: -593.810154 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -122.077 flat angles C4'-P-C4' energy: -129.011 flat angles P-C4'-P energy: -79.373 tors. eta vs tors. theta energy: -149.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1599.742317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.742317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.742317 (E_RNA) where: Base-Base interactions energy: -1039.162 where: short stacking energy: -466.946 Base-Backbone interact. energy: -0.968 local terms energy: -559.612629 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -118.318 flat angles C4'-P-C4' energy: -121.950 flat angles P-C4'-P energy: -96.844 tors. eta vs tors. theta energy: -117.724 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: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1563.412341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.412341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.412341 (E_RNA) where: Base-Base interactions energy: -1028.220 where: short stacking energy: -456.241 Base-Backbone interact. energy: -1.553 local terms energy: -533.639294 where: bonds (distance) C4'-P energy: -121.647 bonds (distance) P-C4' energy: -113.617 flat angles C4'-P-C4' energy: -116.910 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: -116.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1322.637708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.637708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.637708 (E_RNA) where: Base-Base interactions energy: -849.910 where: short stacking energy: -361.982 Base-Backbone interact. energy: 8.144 local terms energy: -480.871620 where: bonds (distance) C4'-P energy: -103.721 bonds (distance) P-C4' energy: -111.862 flat angles C4'-P-C4' energy: -124.754 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -65.019 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: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1025.970074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.970074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.970074 (E_RNA) where: Base-Base interactions energy: -602.994 where: short stacking energy: -296.054 Base-Backbone interact. energy: -0.927 local terms energy: -422.048856 where: bonds (distance) C4'-P energy: -125.166 bonds (distance) P-C4' energy: -126.342 flat angles C4'-P-C4' energy: -66.367 flat angles P-C4'-P energy: -58.455 tors. eta vs tors. theta energy: -45.719 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: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -587.739693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.739693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.739693 (E_RNA) where: Base-Base interactions energy: -236.081 where: short stacking energy: -156.692 Base-Backbone interact. energy: 1.018 local terms energy: -352.676235 where: bonds (distance) C4'-P energy: -103.086 bonds (distance) P-C4' energy: -120.305 flat angles C4'-P-C4' energy: -96.140 flat angles P-C4'-P energy: -59.272 tors. eta vs tors. theta energy: 26.127 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: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2300.041483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.041483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.041483 (E_RNA) where: Base-Base interactions energy: -1602.276 where: short stacking energy: -676.298 Base-Backbone interact. energy: -0.985 local terms energy: -696.781169 where: bonds (distance) C4'-P energy: -125.320 bonds (distance) P-C4' energy: -127.529 flat angles C4'-P-C4' energy: -140.439 flat angles P-C4'-P energy: -103.139 tors. eta vs tors. theta energy: -200.353 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: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2181.773455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.773455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.773455 (E_RNA) where: Base-Base interactions energy: -1497.652 where: short stacking energy: -640.717 Base-Backbone interact. energy: -2.273 local terms energy: -681.848994 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -127.466 flat angles C4'-P-C4' energy: -147.485 flat angles P-C4'-P energy: -94.373 tors. eta vs tors. theta energy: -186.161 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: 3, replica: 3 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2058.806154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.806154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.806154 (E_RNA) where: Base-Base interactions energy: -1376.005 where: short stacking energy: -587.969 Base-Backbone interact. energy: -1.551 local terms energy: -681.250817 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -139.743 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -98.523 tors. eta vs tors. theta energy: -168.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1972.658404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.658404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.658404 (E_RNA) where: Base-Base interactions energy: -1340.766 where: short stacking energy: -546.749 Base-Backbone interact. energy: -3.085 local terms energy: -628.807177 where: bonds (distance) C4'-P energy: -127.778 bonds (distance) P-C4' energy: -121.640 flat angles C4'-P-C4' energy: -140.742 flat angles P-C4'-P energy: -86.888 tors. eta vs tors. theta energy: -151.760 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: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1887.452868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.452868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.452868 (E_RNA) where: Base-Base interactions energy: -1250.952 where: short stacking energy: -525.868 Base-Backbone interact. energy: 2.195 local terms energy: -638.695121 where: bonds (distance) C4'-P energy: -124.124 bonds (distance) P-C4' energy: -136.229 flat angles C4'-P-C4' energy: -140.877 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -148.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1643.035558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.035558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.035558 (E_RNA) where: Base-Base interactions energy: -1063.010 where: short stacking energy: -491.413 Base-Backbone interact. energy: 0.191 local terms energy: -580.216070 where: bonds (distance) C4'-P energy: -109.021 bonds (distance) P-C4' energy: -120.215 flat angles C4'-P-C4' energy: -134.637 flat angles P-C4'-P energy: -77.699 tors. eta vs tors. theta energy: -138.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1516.104120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.104120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.104120 (E_RNA) where: Base-Base interactions energy: -989.564 where: short stacking energy: -465.993 Base-Backbone interact. energy: -2.285 local terms energy: -524.255130 where: bonds (distance) C4'-P energy: -103.547 bonds (distance) P-C4' energy: -125.932 flat angles C4'-P-C4' energy: -108.533 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -108.006 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: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1195.207469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.207469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.207469 (E_RNA) where: Base-Base interactions energy: -725.032 where: short stacking energy: -324.859 Base-Backbone interact. energy: 0.185 local terms energy: -470.360607 where: bonds (distance) C4'-P energy: -117.966 bonds (distance) P-C4' energy: -100.798 flat angles C4'-P-C4' energy: -123.176 flat angles P-C4'-P energy: -63.639 tors. eta vs tors. theta energy: -64.782 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: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -963.115181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.115181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.115181 (E_RNA) where: Base-Base interactions energy: -549.382 where: short stacking energy: -257.805 Base-Backbone interact. energy: 0.030 local terms energy: -413.763091 where: bonds (distance) C4'-P energy: -105.524 bonds (distance) P-C4' energy: -120.254 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -61.247 tors. eta vs tors. theta energy: -20.838 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: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -630.103195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.103195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.103195 (E_RNA) where: Base-Base interactions energy: -265.132 where: short stacking energy: -168.402 Base-Backbone interact. energy: 2.144 local terms energy: -367.115002 where: bonds (distance) C4'-P energy: -99.019 bonds (distance) P-C4' energy: -120.501 flat angles C4'-P-C4' energy: -109.058 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: 5.035 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: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2300.622779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.622779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.622779 (E_RNA) where: Base-Base interactions energy: -1573.528 where: short stacking energy: -662.407 Base-Backbone interact. energy: -1.658 local terms energy: -725.436855 where: bonds (distance) C4'-P energy: -136.565 bonds (distance) P-C4' energy: -128.682 flat angles C4'-P-C4' energy: -159.017 flat angles P-C4'-P energy: -106.448 tors. eta vs tors. theta energy: -194.725 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: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2187.378558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.378558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.378558 (E_RNA) where: Base-Base interactions energy: -1489.287 where: short stacking energy: -625.910 Base-Backbone interact. energy: -3.626 local terms energy: -694.466091 where: bonds (distance) C4'-P energy: -125.810 bonds (distance) P-C4' energy: -129.283 flat angles C4'-P-C4' energy: -147.466 flat angles P-C4'-P energy: -108.002 tors. eta vs tors. theta energy: -183.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2047.300117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.300117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.300117 (E_RNA) where: Base-Base interactions energy: -1400.283 where: short stacking energy: -596.887 Base-Backbone interact. energy: 0.290 local terms energy: -647.307571 where: bonds (distance) C4'-P energy: -119.541 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -135.607 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -170.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1966.753614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.753614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.753614 (E_RNA) where: Base-Base interactions energy: -1378.921 where: short stacking energy: -561.614 Base-Backbone interact. energy: -1.637 local terms energy: -586.195357 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -114.372 flat angles P-C4'-P energy: -100.753 tors. eta vs tors. theta energy: -148.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1926.704995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.704995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.704995 (E_RNA) where: Base-Base interactions energy: -1324.277 where: short stacking energy: -557.345 Base-Backbone interact. energy: -3.894 local terms energy: -598.534013 where: bonds (distance) C4'-P energy: -121.745 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -131.583 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -158.258 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: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1645.964918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.964918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.964918 (E_RNA) where: Base-Base interactions energy: -1086.453 where: short stacking energy: -486.195 Base-Backbone interact. energy: -0.978 local terms energy: -558.534120 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -116.291 flat angles C4'-P-C4' energy: -127.538 flat angles P-C4'-P energy: -72.704 tors. eta vs tors. theta energy: -124.465 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: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1466.029878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.029878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.029878 (E_RNA) where: Base-Base interactions energy: -953.070 where: short stacking energy: -440.319 Base-Backbone interact. energy: -0.480 local terms energy: -512.479696 where: bonds (distance) C4'-P energy: -104.912 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -119.694 flat angles P-C4'-P energy: -66.011 tors. eta vs tors. theta energy: -112.718 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: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1149.512604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.512604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.512604 (E_RNA) where: Base-Base interactions energy: -669.968 where: short stacking energy: -309.447 Base-Backbone interact. energy: 0.830 local terms energy: -480.374832 where: bonds (distance) C4'-P energy: -111.399 bonds (distance) P-C4' energy: -128.837 flat angles C4'-P-C4' energy: -122.639 flat angles P-C4'-P energy: -56.943 tors. eta vs tors. theta energy: -60.556 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: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1010.405643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.405643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.405643 (E_RNA) where: Base-Base interactions energy: -568.406 where: short stacking energy: -270.550 Base-Backbone interact. energy: -1.986 local terms energy: -440.013786 where: bonds (distance) C4'-P energy: -122.142 bonds (distance) P-C4' energy: -119.837 flat angles C4'-P-C4' energy: -89.758 flat angles P-C4'-P energy: -73.840 tors. eta vs tors. theta energy: -34.436 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: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -574.949328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.949328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.949328 (E_RNA) where: Base-Base interactions energy: -231.871 where: short stacking energy: -163.967 Base-Backbone interact. energy: 2.158 local terms energy: -345.236309 where: bonds (distance) C4'-P energy: -86.987 bonds (distance) P-C4' energy: -129.414 flat angles C4'-P-C4' energy: -94.283 flat angles P-C4'-P energy: -54.188 tors. eta vs tors. theta energy: 19.636 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: 170 Temperature: 0.900000 Total energy: -2307.656279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.656279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.656279 (E_RNA) where: Base-Base interactions energy: -1587.058 where: short stacking energy: -652.447 Base-Backbone interact. energy: -2.963 local terms energy: -717.635550 where: bonds (distance) C4'-P energy: -132.072 bonds (distance) P-C4' energy: -145.218 flat angles C4'-P-C4' energy: -145.013 flat angles P-C4'-P energy: -107.265 tors. eta vs tors. theta energy: -188.067 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: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2221.630697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.630697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.630697 (E_RNA) where: Base-Base interactions energy: -1525.965 where: short stacking energy: -654.204 Base-Backbone interact. energy: -3.225 local terms energy: -692.440566 where: bonds (distance) C4'-P energy: -117.348 bonds (distance) P-C4' energy: -128.578 flat angles C4'-P-C4' energy: -146.787 flat angles P-C4'-P energy: -100.742 tors. eta vs tors. theta energy: -198.985 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: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2079.801991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.801991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.801991 (E_RNA) where: Base-Base interactions energy: -1385.149 where: short stacking energy: -589.772 Base-Backbone interact. energy: -2.941 local terms energy: -691.711660 where: bonds (distance) C4'-P energy: -136.487 bonds (distance) P-C4' energy: -124.744 flat angles C4'-P-C4' energy: -159.336 flat angles P-C4'-P energy: -93.168 tors. eta vs tors. theta energy: -177.976 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: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1937.535122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.535122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.535122 (E_RNA) where: Base-Base interactions energy: -1344.302 where: short stacking energy: -582.509 Base-Backbone interact. energy: -0.544 local terms energy: -592.688767 where: bonds (distance) C4'-P energy: -101.552 bonds (distance) P-C4' energy: -122.586 flat angles C4'-P-C4' energy: -131.196 flat angles P-C4'-P energy: -80.685 tors. eta vs tors. theta energy: -156.670 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1962.071833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.071833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.071833 (E_RNA) where: Base-Base interactions energy: -1345.745 where: short stacking energy: -564.948 Base-Backbone interact. energy: -2.085 local terms energy: -614.242649 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -142.152 flat angles P-C4'-P energy: -86.075 tors. eta vs tors. theta energy: -156.100 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: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1638.546892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.546892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.546892 (E_RNA) where: Base-Base interactions energy: -1084.059 where: short stacking energy: -501.254 Base-Backbone interact. energy: -1.372 local terms energy: -553.116008 where: bonds (distance) C4'-P energy: -109.817 bonds (distance) P-C4' energy: -109.349 flat angles C4'-P-C4' energy: -133.177 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -131.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1529.133240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.133240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.133240 (E_RNA) where: Base-Base interactions energy: -1008.145 where: short stacking energy: -452.658 Base-Backbone interact. energy: -2.748 local terms energy: -518.239866 where: bonds (distance) C4'-P energy: -101.374 bonds (distance) P-C4' energy: -119.216 flat angles C4'-P-C4' energy: -119.924 flat angles P-C4'-P energy: -69.288 tors. eta vs tors. theta energy: -108.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1108.221146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.221146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.221146 (E_RNA) where: Base-Base interactions energy: -664.889 where: short stacking energy: -328.167 Base-Backbone interact. energy: -0.840 local terms energy: -442.492064 where: bonds (distance) C4'-P energy: -104.040 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -109.027 flat angles P-C4'-P energy: -61.797 tors. eta vs tors. theta energy: -46.423 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: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1014.565373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.565373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.565373 (E_RNA) where: Base-Base interactions energy: -601.322 where: short stacking energy: -295.147 Base-Backbone interact. energy: 1.623 local terms energy: -414.866561 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -103.896 flat angles C4'-P-C4' energy: -90.864 flat angles P-C4'-P energy: -53.591 tors. eta vs tors. theta energy: -52.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -600.411148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.411148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.411148 (E_RNA) where: Base-Base interactions energy: -235.845 where: short stacking energy: -164.075 Base-Backbone interact. energy: 2.168 local terms energy: -366.734632 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -113.022 flat angles C4'-P-C4' energy: -95.628 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -8.366 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: 171 Temperature: 0.900000 Total energy: -2296.576174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.576174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.576174 (E_RNA) where: Base-Base interactions energy: -1570.298 where: short stacking energy: -671.820 Base-Backbone interact. energy: -2.910 local terms energy: -723.368217 where: bonds (distance) C4'-P energy: -131.122 bonds (distance) P-C4' energy: -132.845 flat angles C4'-P-C4' energy: -161.248 flat angles P-C4'-P energy: -98.038 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: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2197.756804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.756804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.756804 (E_RNA) where: Base-Base interactions energy: -1481.925 where: short stacking energy: -618.298 Base-Backbone interact. energy: -2.327 local terms energy: -713.505567 where: bonds (distance) C4'-P energy: -135.220 bonds (distance) P-C4' energy: -137.520 flat angles C4'-P-C4' energy: -152.225 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: -196.781 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: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2094.989979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.989979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.989979 (E_RNA) where: Base-Base interactions energy: -1442.061 where: short stacking energy: -621.481 Base-Backbone interact. energy: -0.887 local terms energy: -652.042287 where: bonds (distance) C4'-P energy: -127.270 bonds (distance) P-C4' energy: -129.031 flat angles C4'-P-C4' energy: -142.155 flat angles P-C4'-P energy: -92.007 tors. eta vs tors. theta energy: -161.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1980.798974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.798974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.798974 (E_RNA) where: Base-Base interactions energy: -1350.493 where: short stacking energy: -544.732 Base-Backbone interact. energy: -0.942 local terms energy: -629.363439 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -123.916 flat angles C4'-P-C4' energy: -148.047 flat angles P-C4'-P energy: -93.104 tors. eta vs tors. theta energy: -144.489 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: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1982.824707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.824707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.824707 (E_RNA) where: Base-Base interactions energy: -1340.061 where: short stacking energy: -578.453 Base-Backbone interact. energy: 2.042 local terms energy: -644.806354 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -139.084 flat angles C4'-P-C4' energy: -131.262 flat angles P-C4'-P energy: -85.154 tors. eta vs tors. theta energy: -177.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1606.924704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.924704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.924704 (E_RNA) where: Base-Base interactions energy: -1025.074 where: short stacking energy: -471.631 Base-Backbone interact. energy: -2.643 local terms energy: -579.208493 where: bonds (distance) C4'-P energy: -123.703 bonds (distance) P-C4' energy: -117.415 flat angles C4'-P-C4' energy: -132.227 flat angles P-C4'-P energy: -80.072 tors. eta vs tors. theta energy: -125.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1546.938063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.938063 (E_RNA) where: Base-Base interactions energy: -1003.264 where: short stacking energy: -451.870 Base-Backbone interact. energy: -5.043 local terms energy: -538.631243 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -107.727 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -114.718 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: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1060.301687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.301687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.301687 (E_RNA) where: Base-Base interactions energy: -600.265 where: short stacking energy: -273.877 Base-Backbone interact. energy: -2.790 local terms energy: -457.246812 where: bonds (distance) C4'-P energy: -106.640 bonds (distance) P-C4' energy: -115.787 flat angles C4'-P-C4' energy: -128.080 flat angles P-C4'-P energy: -78.687 tors. eta vs tors. theta energy: -28.052 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: 4 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -999.891691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.891691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.891691 (E_RNA) where: Base-Base interactions energy: -621.647 where: short stacking energy: -277.561 Base-Backbone interact. energy: 3.909 local terms energy: -382.153768 where: bonds (distance) C4'-P energy: -84.104 bonds (distance) P-C4' energy: -114.105 flat angles C4'-P-C4' energy: -108.446 flat angles P-C4'-P energy: -58.097 tors. eta vs tors. theta energy: -17.402 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: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -625.778976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.778976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.778976 (E_RNA) where: Base-Base interactions energy: -271.676 where: short stacking energy: -173.570 Base-Backbone interact. energy: 3.064 local terms energy: -357.167025 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -130.447 flat angles C4'-P-C4' energy: -79.106 flat angles P-C4'-P energy: -48.627 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: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2284.293612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.293612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.293612 (E_RNA) where: Base-Base interactions energy: -1570.475 where: short stacking energy: -664.199 Base-Backbone interact. energy: -2.172 local terms energy: -711.646207 where: bonds (distance) C4'-P energy: -130.389 bonds (distance) P-C4' energy: -119.443 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -109.567 tors. eta vs tors. theta energy: -200.763 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: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2163.401056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.401056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.401056 (E_RNA) where: Base-Base interactions energy: -1499.722 where: short stacking energy: -645.150 Base-Backbone interact. energy: -3.467 local terms energy: -660.211941 where: bonds (distance) C4'-P energy: -120.166 bonds (distance) P-C4' energy: -117.119 flat angles C4'-P-C4' energy: -143.638 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -190.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2086.646956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.646956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.646956 (E_RNA) where: Base-Base interactions energy: -1407.363 where: short stacking energy: -591.655 Base-Backbone interact. energy: -3.841 local terms energy: -675.442971 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -132.683 flat angles C4'-P-C4' energy: -149.351 flat angles P-C4'-P energy: -92.896 tors. eta vs tors. theta energy: -173.327 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: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1945.327568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.327568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.327568 (E_RNA) where: Base-Base interactions energy: -1304.726 where: short stacking energy: -544.479 Base-Backbone interact. energy: -1.550 local terms energy: -639.051717 where: bonds (distance) C4'-P energy: -109.145 bonds (distance) P-C4' energy: -125.913 flat angles C4'-P-C4' energy: -143.815 flat angles P-C4'-P energy: -103.904 tors. eta vs tors. theta energy: -156.274 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: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1892.567054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.567054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.567054 (E_RNA) where: Base-Base interactions energy: -1277.843 where: short stacking energy: -548.553 Base-Backbone interact. energy: -5.097 local terms energy: -609.626846 where: bonds (distance) C4'-P energy: -130.736 bonds (distance) P-C4' energy: -120.766 flat angles C4'-P-C4' energy: -123.684 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -151.246 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: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1619.155240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.155240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.155240 (E_RNA) where: Base-Base interactions energy: -1054.882 where: short stacking energy: -482.612 Base-Backbone interact. energy: -1.154 local terms energy: -563.120116 where: bonds (distance) C4'-P energy: -106.859 bonds (distance) P-C4' energy: -115.663 flat angles C4'-P-C4' energy: -128.427 flat angles P-C4'-P energy: -87.025 tors. eta vs tors. theta energy: -125.147 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: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1473.430935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.430935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.430935 (E_RNA) where: Base-Base interactions energy: -943.025 where: short stacking energy: -429.522 Base-Backbone interact. energy: -2.816 local terms energy: -527.589574 where: bonds (distance) C4'-P energy: -124.448 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -133.462 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -102.888 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: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1128.522318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.522318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.522318 (E_RNA) where: Base-Base interactions energy: -655.225 where: short stacking energy: -317.872 Base-Backbone interact. energy: -0.575 local terms energy: -472.722325 where: bonds (distance) C4'-P energy: -120.257 bonds (distance) P-C4' energy: -108.606 flat angles C4'-P-C4' energy: -107.105 flat angles P-C4'-P energy: -71.615 tors. eta vs tors. theta energy: -65.139 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: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1005.010864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.010864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.010864 (E_RNA) where: Base-Base interactions energy: -567.418 where: short stacking energy: -268.405 Base-Backbone interact. energy: 8.876 local terms energy: -446.468711 where: bonds (distance) C4'-P energy: -101.842 bonds (distance) P-C4' energy: -114.055 flat angles C4'-P-C4' energy: -117.931 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -39.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -619.501389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.501389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.501389 (E_RNA) where: Base-Base interactions energy: -261.425 where: short stacking energy: -164.356 Base-Backbone interact. energy: 5.735 local terms energy: -363.810472 where: bonds (distance) C4'-P energy: -101.647 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: 1.802 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: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2305.501586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.501586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.501586 (E_RNA) where: Base-Base interactions energy: -1585.287 where: short stacking energy: -669.939 Base-Backbone interact. energy: -2.658 local terms energy: -717.556313 where: bonds (distance) C4'-P energy: -125.872 bonds (distance) P-C4' energy: -142.462 flat angles C4'-P-C4' energy: -157.024 flat angles P-C4'-P energy: -92.891 tors. eta vs tors. theta energy: -199.307 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: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2202.880677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.880677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.880677 (E_RNA) where: Base-Base interactions energy: -1526.508 where: short stacking energy: -662.451 Base-Backbone interact. energy: -1.498 local terms energy: -674.874187 where: bonds (distance) C4'-P energy: -124.841 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -143.110 flat angles P-C4'-P energy: -93.777 tors. eta vs tors. theta energy: -184.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2106.191074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.191074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.191074 (E_RNA) where: Base-Base interactions energy: -1458.171 where: short stacking energy: -603.189 Base-Backbone interact. energy: -4.395 local terms energy: -643.625875 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -137.596 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -171.718 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: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1977.415930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.415930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.415930 (E_RNA) where: Base-Base interactions energy: -1365.534 where: short stacking energy: -567.873 Base-Backbone interact. energy: -2.313 local terms energy: -609.569447 where: bonds (distance) C4'-P energy: -109.435 bonds (distance) P-C4' energy: -127.485 flat angles C4'-P-C4' energy: -143.894 flat angles P-C4'-P energy: -79.461 tors. eta vs tors. theta energy: -149.296 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: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1971.937826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.937826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.937826 (E_RNA) where: Base-Base interactions energy: -1350.775 where: short stacking energy: -571.010 Base-Backbone interact. energy: -4.070 local terms energy: -617.092671 where: bonds (distance) C4'-P energy: -112.078 bonds (distance) P-C4' energy: -121.799 flat angles C4'-P-C4' energy: -135.199 flat angles P-C4'-P energy: -79.851 tors. eta vs tors. theta energy: -168.165 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: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1642.346904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.346904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.346904 (E_RNA) where: Base-Base interactions energy: -1085.197 where: short stacking energy: -477.009 Base-Backbone interact. energy: 0.555 local terms energy: -557.704645 where: bonds (distance) C4'-P energy: -116.055 bonds (distance) P-C4' energy: -123.335 flat angles C4'-P-C4' energy: -129.240 flat angles P-C4'-P energy: -66.351 tors. eta vs tors. theta energy: -122.724 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: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1579.148646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.148646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.148646 (E_RNA) where: Base-Base interactions energy: -1038.941 where: short stacking energy: -442.245 Base-Backbone interact. energy: 1.865 local terms energy: -542.072638 where: bonds (distance) C4'-P energy: -107.294 bonds (distance) P-C4' energy: -112.703 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: -113.174 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: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1076.801206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.801206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.801206 (E_RNA) where: Base-Base interactions energy: -640.751 where: short stacking energy: -321.572 Base-Backbone interact. energy: 0.202 local terms energy: -436.252539 where: bonds (distance) C4'-P energy: -115.058 bonds (distance) P-C4' energy: -104.935 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -71.926 tors. eta vs tors. theta energy: -51.340 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: 9, replica: 6 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1058.893091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.893091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.893091 (E_RNA) where: Base-Base interactions energy: -622.868 where: short stacking energy: -330.855 Base-Backbone interact. energy: -1.085 local terms energy: -434.940175 where: bonds (distance) C4'-P energy: -93.249 bonds (distance) P-C4' energy: -127.692 flat angles C4'-P-C4' energy: -98.941 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -62.396 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: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -617.914396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.914396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.914396 (E_RNA) where: Base-Base interactions energy: -244.017 where: short stacking energy: -163.686 Base-Backbone interact. energy: -4.687 local terms energy: -369.210205 where: bonds (distance) C4'-P energy: -102.279 bonds (distance) P-C4' energy: -112.163 flat angles C4'-P-C4' energy: -100.007 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: 9.761 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: 1, replica: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2302.296382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.296382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.296382 (E_RNA) where: Base-Base interactions energy: -1576.114 where: short stacking energy: -652.939 Base-Backbone interact. energy: -0.373 local terms energy: -725.809995 where: bonds (distance) C4'-P energy: -145.865 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -147.692 flat angles P-C4'-P energy: -105.236 tors. eta vs tors. theta energy: -195.813 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: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2165.230238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.230238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.230238 (E_RNA) where: Base-Base interactions energy: -1470.873 where: short stacking energy: -626.310 Base-Backbone interact. energy: -5.323 local terms energy: -689.034080 where: bonds (distance) C4'-P energy: -122.232 bonds (distance) P-C4' energy: -138.628 flat angles C4'-P-C4' energy: -135.718 flat angles P-C4'-P energy: -99.406 tors. eta vs tors. theta energy: -193.050 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: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2111.034807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.034807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.034807 (E_RNA) where: Base-Base interactions energy: -1447.313 where: short stacking energy: -618.037 Base-Backbone interact. energy: -7.250 local terms energy: -656.471459 where: bonds (distance) C4'-P energy: -119.602 bonds (distance) P-C4' energy: -121.661 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -92.374 tors. eta vs tors. theta energy: -180.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1957.750774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.750774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.750774 (E_RNA) where: Base-Base interactions energy: -1358.892 where: short stacking energy: -574.781 Base-Backbone interact. energy: -3.207 local terms energy: -595.652009 where: bonds (distance) C4'-P energy: -114.808 bonds (distance) P-C4' energy: -124.491 flat angles C4'-P-C4' energy: -140.772 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: -148.474 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: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1980.624596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.624596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.624596 (E_RNA) where: Base-Base interactions energy: -1352.731 where: short stacking energy: -557.921 Base-Backbone interact. energy: -0.781 local terms energy: -627.112953 where: bonds (distance) C4'-P energy: -132.058 bonds (distance) P-C4' energy: -108.835 flat angles C4'-P-C4' energy: -133.807 flat angles P-C4'-P energy: -90.260 tors. eta vs tors. theta energy: -162.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1644.581114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.581114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.581114 (E_RNA) where: Base-Base interactions energy: -1051.405 where: short stacking energy: -472.372 Base-Backbone interact. energy: -1.339 local terms energy: -591.837390 where: bonds (distance) C4'-P energy: -114.553 bonds (distance) P-C4' energy: -124.702 flat angles C4'-P-C4' energy: -134.267 flat angles P-C4'-P energy: -87.266 tors. eta vs tors. theta energy: -131.049 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: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1568.282877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.282877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.282877 (E_RNA) where: Base-Base interactions energy: -1009.858 where: short stacking energy: -447.640 Base-Backbone interact. energy: -0.945 local terms energy: -557.479900 where: bonds (distance) C4'-P energy: -120.014 bonds (distance) P-C4' energy: -120.151 flat angles C4'-P-C4' energy: -140.151 flat angles P-C4'-P energy: -70.534 tors. eta vs tors. theta energy: -106.630 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: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1025.406996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.406996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.406996 (E_RNA) where: Base-Base interactions energy: -579.965 where: short stacking energy: -295.777 Base-Backbone interact. energy: -2.897 local terms energy: -442.544679 where: bonds (distance) C4'-P energy: -94.095 bonds (distance) P-C4' energy: -123.594 flat angles C4'-P-C4' energy: -124.633 flat angles P-C4'-P energy: -74.262 tors. eta vs tors. theta energy: -25.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -963.921562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.921562 (E_RNA) where: Base-Base interactions energy: -545.925 where: short stacking energy: -275.130 Base-Backbone interact. energy: -2.580 local terms energy: -415.416450 where: bonds (distance) C4'-P energy: -101.763 bonds (distance) P-C4' energy: -118.039 flat angles C4'-P-C4' energy: -110.856 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: -39.518 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: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -616.906157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.906157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.906157 (E_RNA) where: Base-Base interactions energy: -258.802 where: short stacking energy: -179.280 Base-Backbone interact. energy: -1.840 local terms energy: -356.264346 where: bonds (distance) C4'-P energy: -114.324 bonds (distance) P-C4' energy: -120.569 flat angles C4'-P-C4' energy: -94.589 flat angles P-C4'-P energy: -20.878 tors. eta vs tors. theta energy: -5.904 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: 175 Temperature: 0.900000 Total energy: -2299.605808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.605808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.605808 (E_RNA) where: Base-Base interactions energy: -1579.004 where: short stacking energy: -634.811 Base-Backbone interact. energy: -0.742 local terms energy: -719.859674 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -131.084 flat angles C4'-P-C4' energy: -150.037 flat angles P-C4'-P energy: -103.149 tors. eta vs tors. theta energy: -192.530 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: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2194.694194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.694194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.694194 (E_RNA) where: Base-Base interactions energy: -1459.098 where: short stacking energy: -627.419 Base-Backbone interact. energy: -6.081 local terms energy: -729.515536 where: bonds (distance) C4'-P energy: -137.880 bonds (distance) P-C4' energy: -142.361 flat angles C4'-P-C4' energy: -144.215 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -195.465 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: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2099.718368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.718368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.718368 (E_RNA) where: Base-Base interactions energy: -1439.629 where: short stacking energy: -597.451 Base-Backbone interact. energy: -4.790 local terms energy: -655.299302 where: bonds (distance) C4'-P energy: -125.463 bonds (distance) P-C4' energy: -126.652 flat angles C4'-P-C4' energy: -142.556 flat angles P-C4'-P energy: -97.829 tors. eta vs tors. theta energy: -162.800 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: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1950.973446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.973446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.973446 (E_RNA) where: Base-Base interactions energy: -1347.679 where: short stacking energy: -572.520 Base-Backbone interact. energy: -1.545 local terms energy: -601.749619 where: bonds (distance) C4'-P energy: -117.258 bonds (distance) P-C4' energy: -138.179 flat angles C4'-P-C4' energy: -124.217 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: -144.696 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: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2016.392449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.392449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.392449 (E_RNA) where: Base-Base interactions energy: -1376.158 where: short stacking energy: -571.325 Base-Backbone interact. energy: -3.625 local terms energy: -636.609161 where: bonds (distance) C4'-P energy: -119.582 bonds (distance) P-C4' energy: -118.438 flat angles C4'-P-C4' energy: -144.592 flat angles P-C4'-P energy: -91.038 tors. eta vs tors. theta energy: -162.959 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1637.168524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.168524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.168524 (E_RNA) where: Base-Base interactions energy: -1116.690 where: short stacking energy: -512.826 Base-Backbone interact. energy: 1.011 local terms energy: -521.489879 where: bonds (distance) C4'-P energy: -95.659 bonds (distance) P-C4' energy: -89.409 flat angles C4'-P-C4' energy: -120.467 flat angles P-C4'-P energy: -88.218 tors. eta vs tors. theta energy: -127.737 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: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1509.226416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.226416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.226416 (E_RNA) where: Base-Base interactions energy: -955.445 where: short stacking energy: -449.295 Base-Backbone interact. energy: -2.879 local terms energy: -550.902760 where: bonds (distance) C4'-P energy: -116.730 bonds (distance) P-C4' energy: -111.705 flat angles C4'-P-C4' energy: -137.215 flat angles P-C4'-P energy: -71.189 tors. eta vs tors. theta energy: -114.063 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: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1066.827507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.827507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.827507 (E_RNA) where: Base-Base interactions energy: -622.242 where: short stacking energy: -333.429 Base-Backbone interact. energy: 0.750 local terms energy: -445.335195 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -101.647 flat angles C4'-P-C4' energy: -114.641 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -57.523 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: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -991.937352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.937352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.937352 (E_RNA) where: Base-Base interactions energy: -563.219 where: short stacking energy: -289.527 Base-Backbone interact. energy: -1.289 local terms energy: -427.428849 where: bonds (distance) C4'-P energy: -118.795 bonds (distance) P-C4' energy: -106.967 flat angles C4'-P-C4' energy: -104.616 flat angles P-C4'-P energy: -56.748 tors. eta vs tors. theta energy: -40.304 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: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -641.754200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.754200 (E_RNA) where: Base-Base interactions energy: -279.737 where: short stacking energy: -190.394 Base-Backbone interact. energy: -1.515 local terms energy: -360.502467 where: bonds (distance) C4'-P energy: -103.956 bonds (distance) P-C4' energy: -85.205 flat angles C4'-P-C4' energy: -111.389 flat angles P-C4'-P energy: -50.891 tors. eta vs tors. theta energy: -9.061 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: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2306.364828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.364828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.364828 (E_RNA) where: Base-Base interactions energy: -1582.052 where: short stacking energy: -657.339 Base-Backbone interact. energy: -1.410 local terms energy: -722.903471 where: bonds (distance) C4'-P energy: -141.854 bonds (distance) P-C4' energy: -135.303 flat angles C4'-P-C4' energy: -158.682 flat angles P-C4'-P energy: -102.268 tors. eta vs tors. theta energy: -184.797 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: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2151.486196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.486196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.486196 (E_RNA) where: Base-Base interactions energy: -1488.528 where: short stacking energy: -635.272 Base-Backbone interact. energy: -1.850 local terms energy: -661.108281 where: bonds (distance) C4'-P energy: -116.853 bonds (distance) P-C4' energy: -128.616 flat angles C4'-P-C4' energy: -150.097 flat angles P-C4'-P energy: -83.499 tors. eta vs tors. theta energy: -182.044 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: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2156.196329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.196329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.196329 (E_RNA) where: Base-Base interactions energy: -1454.418 where: short stacking energy: -644.985 Base-Backbone interact. energy: -4.143 local terms energy: -697.635259 where: bonds (distance) C4'-P energy: -127.507 bonds (distance) P-C4' energy: -130.835 flat angles C4'-P-C4' energy: -156.805 flat angles P-C4'-P energy: -99.307 tors. eta vs tors. theta energy: -183.181 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: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2038.148459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.148459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.148459 (E_RNA) where: Base-Base interactions energy: -1400.064 where: short stacking energy: -613.510 Base-Backbone interact. energy: 2.887 local terms energy: -640.971579 where: bonds (distance) C4'-P energy: -123.461 bonds (distance) P-C4' energy: -128.702 flat angles C4'-P-C4' energy: -135.530 flat angles P-C4'-P energy: -85.801 tors. eta vs tors. theta energy: -167.477 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: 7 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2033.497470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.497470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.497470 (E_RNA) where: Base-Base interactions energy: -1401.535 where: short stacking energy: -575.014 Base-Backbone interact. energy: -1.761 local terms energy: -630.200801 where: bonds (distance) C4'-P energy: -106.620 bonds (distance) P-C4' energy: -114.317 flat angles C4'-P-C4' energy: -144.531 flat angles P-C4'-P energy: -94.791 tors. eta vs tors. theta energy: -169.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1653.062818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.062818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.062818 (E_RNA) where: Base-Base interactions energy: -1112.535 where: short stacking energy: -499.812 Base-Backbone interact. energy: -1.451 local terms energy: -539.076389 where: bonds (distance) C4'-P energy: -99.711 bonds (distance) P-C4' energy: -99.411 flat angles C4'-P-C4' energy: -131.724 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: -130.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1491.855316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.855316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.855316 (E_RNA) where: Base-Base interactions energy: -981.045 where: short stacking energy: -447.690 Base-Backbone interact. energy: 1.654 local terms energy: -512.464305 where: bonds (distance) C4'-P energy: -107.233 bonds (distance) P-C4' energy: -119.417 flat angles C4'-P-C4' energy: -121.725 flat angles P-C4'-P energy: -66.146 tors. eta vs tors. theta energy: -97.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1076.460792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.460792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.460792 (E_RNA) where: Base-Base interactions energy: -611.221 where: short stacking energy: -319.279 Base-Backbone interact. energy: 1.598 local terms energy: -466.837438 where: bonds (distance) C4'-P energy: -123.116 bonds (distance) P-C4' energy: -116.188 flat angles C4'-P-C4' energy: -108.816 flat angles P-C4'-P energy: -66.147 tors. eta vs tors. theta energy: -52.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -939.417750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.417750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.417750 (E_RNA) where: Base-Base interactions energy: -536.388 where: short stacking energy: -264.028 Base-Backbone interact. energy: 0.398 local terms energy: -403.427246 where: bonds (distance) C4'-P energy: -104.339 bonds (distance) P-C4' energy: -121.785 flat angles C4'-P-C4' energy: -105.293 flat angles P-C4'-P energy: -61.569 tors. eta vs tors. theta energy: -10.442 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: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -613.870460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.870460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.870460 (E_RNA) where: Base-Base interactions energy: -275.500 where: short stacking energy: -171.627 Base-Backbone interact. energy: 0.868 local terms energy: -339.238984 where: bonds (distance) C4'-P energy: -111.037 bonds (distance) P-C4' energy: -98.052 flat angles C4'-P-C4' energy: -90.854 flat angles P-C4'-P energy: -45.792 tors. eta vs tors. theta energy: 6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2315.191663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.191663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.191663 (E_RNA) where: Base-Base interactions energy: -1620.966 where: short stacking energy: -670.174 Base-Backbone interact. energy: 0.458 local terms energy: -694.683802 where: bonds (distance) C4'-P energy: -132.693 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -154.803 flat angles P-C4'-P energy: -85.725 tors. eta vs tors. theta energy: -195.980 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: 2, replica: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2194.276197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.276197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.276197 (E_RNA) where: Base-Base interactions energy: -1498.277 where: short stacking energy: -650.484 Base-Backbone interact. energy: -5.712 local terms energy: -690.287385 where: bonds (distance) C4'-P energy: -130.504 bonds (distance) P-C4' energy: -130.342 flat angles C4'-P-C4' energy: -151.940 flat angles P-C4'-P energy: -85.133 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: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2106.610569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.610569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.610569 (E_RNA) where: Base-Base interactions energy: -1419.918 where: short stacking energy: -615.816 Base-Backbone interact. energy: -2.908 local terms energy: -683.784927 where: bonds (distance) C4'-P energy: -110.452 bonds (distance) P-C4' energy: -134.336 flat angles C4'-P-C4' energy: -157.182 flat angles P-C4'-P energy: -95.536 tors. eta vs tors. theta energy: -186.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2065.246387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.246387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.246387 (E_RNA) where: Base-Base interactions energy: -1413.430 where: short stacking energy: -606.755 Base-Backbone interact. energy: -1.547 local terms energy: -650.269947 where: bonds (distance) C4'-P energy: -119.492 bonds (distance) P-C4' energy: -129.864 flat angles C4'-P-C4' energy: -135.554 flat angles P-C4'-P energy: -90.882 tors. eta vs tors. theta energy: -174.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1934.703125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.703125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.703125 (E_RNA) where: Base-Base interactions energy: -1343.362 where: short stacking energy: -558.966 Base-Backbone interact. energy: -3.359 local terms energy: -587.981490 where: bonds (distance) C4'-P energy: -109.135 bonds (distance) P-C4' energy: -129.581 flat angles C4'-P-C4' energy: -131.804 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -159.227 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: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1644.252734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.252734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.252734 (E_RNA) where: Base-Base interactions energy: -1064.781 where: short stacking energy: -485.035 Base-Backbone interact. energy: -2.319 local terms energy: -577.152716 where: bonds (distance) C4'-P energy: -111.496 bonds (distance) P-C4' energy: -117.546 flat angles C4'-P-C4' energy: -123.717 flat angles P-C4'-P energy: -82.012 tors. eta vs tors. theta energy: -142.382 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: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1513.198523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.198523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.198523 (E_RNA) where: Base-Base interactions energy: -994.055 where: short stacking energy: -461.877 Base-Backbone interact. energy: -1.270 local terms energy: -517.873453 where: bonds (distance) C4'-P energy: -110.593 bonds (distance) P-C4' energy: -114.294 flat angles C4'-P-C4' energy: -124.787 flat angles P-C4'-P energy: -63.293 tors. eta vs tors. theta energy: -104.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1085.424661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.424661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.424661 (E_RNA) where: Base-Base interactions energy: -621.552 where: short stacking energy: -351.835 Base-Backbone interact. energy: 0.422 local terms energy: -464.293901 where: bonds (distance) C4'-P energy: -99.859 bonds (distance) P-C4' energy: -105.947 flat angles C4'-P-C4' energy: -109.716 flat angles P-C4'-P energy: -84.537 tors. eta vs tors. theta energy: -64.235 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: 9, replica: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -885.233571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.233571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.233571 (E_RNA) where: Base-Base interactions energy: -484.629 where: short stacking energy: -234.324 Base-Backbone interact. energy: 0.484 local terms energy: -401.088028 where: bonds (distance) C4'-P energy: -122.261 bonds (distance) P-C4' energy: -107.468 flat angles C4'-P-C4' energy: -111.464 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -16.160 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: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -617.574192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.574192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.574192 (E_RNA) where: Base-Base interactions energy: -285.128 where: short stacking energy: -145.528 Base-Backbone interact. energy: -1.451 local terms energy: -330.994663 where: bonds (distance) C4'-P energy: -115.533 bonds (distance) P-C4' energy: -106.401 flat angles C4'-P-C4' energy: -82.825 flat angles P-C4'-P energy: -63.327 tors. eta vs tors. theta energy: 37.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2296.866018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.866018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.866018 (E_RNA) where: Base-Base interactions energy: -1572.187 where: short stacking energy: -665.143 Base-Backbone interact. energy: -2.186 local terms energy: -722.492611 where: bonds (distance) C4'-P energy: -127.429 bonds (distance) P-C4' energy: -136.483 flat angles C4'-P-C4' energy: -155.506 flat angles P-C4'-P energy: -97.771 tors. eta vs tors. theta energy: -205.304 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: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2206.516737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.516737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.516737 (E_RNA) where: Base-Base interactions energy: -1514.720 where: short stacking energy: -658.474 Base-Backbone interact. energy: -0.353 local terms energy: -691.443559 where: bonds (distance) C4'-P energy: -131.433 bonds (distance) P-C4' energy: -119.276 flat angles C4'-P-C4' energy: -142.028 flat angles P-C4'-P energy: -99.117 tors. eta vs tors. theta energy: -199.591 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: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2134.734517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.734517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.734517 (E_RNA) where: Base-Base interactions energy: -1427.595 where: short stacking energy: -640.477 Base-Backbone interact. energy: -5.200 local terms energy: -701.939909 where: bonds (distance) C4'-P energy: -136.868 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -151.435 flat angles P-C4'-P energy: -101.720 tors. eta vs tors. theta energy: -186.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2078.245921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.245921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.245921 (E_RNA) where: Base-Base interactions energy: -1429.102 where: short stacking energy: -620.755 Base-Backbone interact. energy: 0.284 local terms energy: -649.427362 where: bonds (distance) C4'-P energy: -112.966 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -138.197 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -178.196 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: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1932.050087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.050087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.050087 (E_RNA) where: Base-Base interactions energy: -1361.293 where: short stacking energy: -551.142 Base-Backbone interact. energy: -0.692 local terms energy: -570.064702 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -117.677 flat angles C4'-P-C4' energy: -126.063 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -144.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1673.343178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.343178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.343178 (E_RNA) where: Base-Base interactions energy: -1110.702 where: short stacking energy: -498.182 Base-Backbone interact. energy: -2.461 local terms energy: -560.180651 where: bonds (distance) C4'-P energy: -115.001 bonds (distance) P-C4' energy: -105.018 flat angles C4'-P-C4' energy: -128.692 flat angles P-C4'-P energy: -83.960 tors. eta vs tors. theta energy: -127.509 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: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1495.662898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.662898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.662898 (E_RNA) where: Base-Base interactions energy: -963.425 where: short stacking energy: -423.296 Base-Backbone interact. energy: -1.103 local terms energy: -531.135712 where: bonds (distance) C4'-P energy: -101.435 bonds (distance) P-C4' energy: -87.851 flat angles C4'-P-C4' energy: -136.421 flat angles P-C4'-P energy: -95.084 tors. eta vs tors. theta energy: -110.345 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: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1047.893446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.893446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.893446 (E_RNA) where: Base-Base interactions energy: -591.784 where: short stacking energy: -293.739 Base-Backbone interact. energy: 3.573 local terms energy: -459.682765 where: bonds (distance) C4'-P energy: -102.790 bonds (distance) P-C4' energy: -115.733 flat angles C4'-P-C4' energy: -120.101 flat angles P-C4'-P energy: -64.355 tors. eta vs tors. theta energy: -56.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -868.401915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.401915 (E_RNA) where: Base-Base interactions energy: -503.573 where: short stacking energy: -268.944 Base-Backbone interact. energy: 2.898 local terms energy: -367.727007 where: bonds (distance) C4'-P energy: -104.755 bonds (distance) P-C4' energy: -106.861 flat angles C4'-P-C4' energy: -95.542 flat angles P-C4'-P energy: -40.409 tors. eta vs tors. theta energy: -20.160 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: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -600.304781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.304781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.304781 (E_RNA) where: Base-Base interactions energy: -243.512 where: short stacking energy: -150.464 Base-Backbone interact. energy: 1.462 local terms energy: -358.254879 where: bonds (distance) C4'-P energy: -97.797 bonds (distance) P-C4' energy: -120.067 flat angles C4'-P-C4' energy: -100.058 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: 14.753 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: 10 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2322.998114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.998114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.998114 (E_RNA) where: Base-Base interactions energy: -1578.173 where: short stacking energy: -670.054 Base-Backbone interact. energy: -2.741 local terms energy: -742.084459 where: bonds (distance) C4'-P energy: -139.254 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -158.706 flat angles P-C4'-P energy: -110.575 tors. eta vs tors. theta energy: -201.603 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: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2202.489275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.489275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.489275 (E_RNA) where: Base-Base interactions energy: -1489.070 where: short stacking energy: -634.606 Base-Backbone interact. energy: -2.510 local terms energy: -710.908431 where: bonds (distance) C4'-P energy: -124.395 bonds (distance) P-C4' energy: -138.024 flat angles C4'-P-C4' energy: -146.646 flat angles P-C4'-P energy: -111.335 tors. eta vs tors. theta energy: -190.509 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: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2137.893561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.893561 (E_RNA) where: Base-Base interactions energy: -1488.176 where: short stacking energy: -648.677 Base-Backbone interact. energy: -3.404 local terms energy: -646.313561 where: bonds (distance) C4'-P energy: -119.766 bonds (distance) P-C4' energy: -134.557 flat angles C4'-P-C4' energy: -140.249 flat angles P-C4'-P energy: -80.129 tors. eta vs tors. theta energy: -171.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2069.264134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.264134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.264134 (E_RNA) where: Base-Base interactions energy: -1426.380 where: short stacking energy: -606.534 Base-Backbone interact. energy: -3.617 local terms energy: -639.266972 where: bonds (distance) C4'-P energy: -112.127 bonds (distance) P-C4' energy: -122.422 flat angles C4'-P-C4' energy: -143.864 flat angles P-C4'-P energy: -90.138 tors. eta vs tors. theta energy: -170.717 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1961.475868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.475868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.475868 (E_RNA) where: Base-Base interactions energy: -1340.190 where: short stacking energy: -586.888 Base-Backbone interact. energy: -1.694 local terms energy: -619.591163 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -118.153 flat angles C4'-P-C4' energy: -139.432 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -151.597 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: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1737.856657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.856657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.856657 (E_RNA) where: Base-Base interactions energy: -1144.288 where: short stacking energy: -517.750 Base-Backbone interact. energy: 2.549 local terms energy: -596.117252 where: bonds (distance) C4'-P energy: -99.446 bonds (distance) P-C4' energy: -126.248 flat angles C4'-P-C4' energy: -140.306 flat angles P-C4'-P energy: -85.407 tors. eta vs tors. theta energy: -144.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1491.606416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.606416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.606416 (E_RNA) where: Base-Base interactions energy: -1002.349 where: short stacking energy: -451.282 Base-Backbone interact. energy: -0.092 local terms energy: -489.165407 where: bonds (distance) C4'-P energy: -107.293 bonds (distance) P-C4' energy: -124.736 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -65.209 tors. eta vs tors. theta energy: -90.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1039.601680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.601680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.601680 (E_RNA) where: Base-Base interactions energy: -613.226 where: short stacking energy: -324.533 Base-Backbone interact. energy: 0.157 local terms energy: -426.533366 where: bonds (distance) C4'-P energy: -88.828 bonds (distance) P-C4' energy: -107.964 flat angles C4'-P-C4' energy: -105.303 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -57.748 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: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -789.930038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.930038 (E_RNA) where: Base-Base interactions energy: -428.713 where: short stacking energy: -222.193 Base-Backbone interact. energy: -0.250 local terms energy: -360.966617 where: bonds (distance) C4'-P energy: -88.848 bonds (distance) P-C4' energy: -115.233 flat angles C4'-P-C4' energy: -95.503 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -595.537478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.537478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.537478 (E_RNA) where: Base-Base interactions energy: -266.992 where: short stacking energy: -165.849 Base-Backbone interact. energy: 0.538 local terms energy: -329.084121 where: bonds (distance) C4'-P energy: -101.977 bonds (distance) P-C4' energy: -115.540 flat angles C4'-P-C4' energy: -87.309 flat angles P-C4'-P energy: -37.346 tors. eta vs tors. theta energy: 13.087 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: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2308.354575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.354575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.354575 (E_RNA) where: Base-Base interactions energy: -1598.253 where: short stacking energy: -657.411 Base-Backbone interact. energy: 4.397 local terms energy: -714.498210 where: bonds (distance) C4'-P energy: -126.662 bonds (distance) P-C4' energy: -133.954 flat angles C4'-P-C4' energy: -157.183 flat angles P-C4'-P energy: -107.597 tors. eta vs tors. theta energy: -189.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2229.002687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.002687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.002687 (E_RNA) where: Base-Base interactions energy: -1534.870 where: short stacking energy: -671.527 Base-Backbone interact. energy: -4.591 local terms energy: -689.542116 where: bonds (distance) C4'-P energy: -128.141 bonds (distance) P-C4' energy: -125.260 flat angles C4'-P-C4' energy: -153.082 flat angles P-C4'-P energy: -87.562 tors. eta vs tors. theta energy: -195.498 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: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2130.135628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.135628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.135628 (E_RNA) where: Base-Base interactions energy: -1452.499 where: short stacking energy: -627.684 Base-Backbone interact. energy: -0.904 local terms energy: -676.732684 where: bonds (distance) C4'-P energy: -125.122 bonds (distance) P-C4' energy: -125.463 flat angles C4'-P-C4' energy: -151.556 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -182.942 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: 180 Temperature: 1.050000 Total energy: -2108.241401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.241401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.241401 (E_RNA) where: Base-Base interactions energy: -1448.019 where: short stacking energy: -629.108 Base-Backbone interact. energy: -0.295 local terms energy: -659.927132 where: bonds (distance) C4'-P energy: -117.925 bonds (distance) P-C4' energy: -121.154 flat angles C4'-P-C4' energy: -147.228 flat angles P-C4'-P energy: -93.710 tors. eta vs tors. theta energy: -179.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1923.588839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.588839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.588839 (E_RNA) where: Base-Base interactions energy: -1322.784 where: short stacking energy: -562.951 Base-Backbone interact. energy: -3.467 local terms energy: -597.337808 where: bonds (distance) C4'-P energy: -104.511 bonds (distance) P-C4' energy: -117.645 flat angles C4'-P-C4' energy: -129.806 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -158.489 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: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1718.580989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.580989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.580989 (E_RNA) where: Base-Base interactions energy: -1100.457 where: short stacking energy: -501.700 Base-Backbone interact. energy: -1.303 local terms energy: -616.821651 where: bonds (distance) C4'-P energy: -115.387 bonds (distance) P-C4' energy: -138.027 flat angles C4'-P-C4' energy: -139.976 flat angles P-C4'-P energy: -81.046 tors. eta vs tors. theta energy: -142.385 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: 180 Temperature: 1.200000 Total energy: -1486.693333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.693333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.693333 (E_RNA) where: Base-Base interactions energy: -966.123 where: short stacking energy: -427.634 Base-Backbone interact. energy: -1.566 local terms energy: -519.004647 where: bonds (distance) C4'-P energy: -128.142 bonds (distance) P-C4' energy: -113.135 flat angles C4'-P-C4' energy: -100.016 flat angles P-C4'-P energy: -87.894 tors. eta vs tors. theta energy: -89.818 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: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1044.355175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.355175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.355175 (E_RNA) where: Base-Base interactions energy: -583.361 where: short stacking energy: -303.776 Base-Backbone interact. energy: -2.396 local terms energy: -458.598672 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -125.176 flat angles C4'-P-C4' energy: -111.982 flat angles P-C4'-P energy: -67.106 tors. eta vs tors. theta energy: -49.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -841.980519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.980519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.980519 (E_RNA) where: Base-Base interactions energy: -448.114 where: short stacking energy: -236.449 Base-Backbone interact. energy: -2.470 local terms energy: -391.397077 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -109.857 flat angles C4'-P-C4' energy: -109.827 flat angles P-C4'-P energy: -60.214 tors. eta vs tors. theta energy: -0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -606.312161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.312161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.312161 (E_RNA) where: Base-Base interactions energy: -292.698 where: short stacking energy: -185.281 Base-Backbone interact. energy: 6.748 local terms energy: -320.362756 where: bonds (distance) C4'-P energy: -90.625 bonds (distance) P-C4' energy: -125.505 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: 12.649 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: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2313.690258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.690258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.690258 (E_RNA) where: Base-Base interactions energy: -1578.869 where: short stacking energy: -681.412 Base-Backbone interact. energy: -0.024 local terms energy: -734.797455 where: bonds (distance) C4'-P energy: -136.443 bonds (distance) P-C4' energy: -142.045 flat angles C4'-P-C4' energy: -157.271 flat angles P-C4'-P energy: -105.152 tors. eta vs tors. theta energy: -193.887 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: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2209.385100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.385100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.385100 (E_RNA) where: Base-Base interactions energy: -1497.078 where: short stacking energy: -648.364 Base-Backbone interact. energy: -3.164 local terms energy: -709.143602 where: bonds (distance) C4'-P energy: -131.309 bonds (distance) P-C4' energy: -143.152 flat angles C4'-P-C4' energy: -151.179 flat angles P-C4'-P energy: -91.584 tors. eta vs tors. theta energy: -191.920 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: 3, replica: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2077.135048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.135048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.135048 (E_RNA) where: Base-Base interactions energy: -1420.945 where: short stacking energy: -599.880 Base-Backbone interact. energy: -0.242 local terms energy: -655.948044 where: bonds (distance) C4'-P energy: -133.761 bonds (distance) P-C4' energy: -123.462 flat angles C4'-P-C4' energy: -134.371 flat angles P-C4'-P energy: -91.064 tors. eta vs tors. theta energy: -173.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2099.762890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.762890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.762890 (E_RNA) where: Base-Base interactions energy: -1452.246 where: short stacking energy: -592.316 Base-Backbone interact. energy: -0.391 local terms energy: -647.125366 where: bonds (distance) C4'-P energy: -109.572 bonds (distance) P-C4' energy: -129.321 flat angles C4'-P-C4' energy: -139.241 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -175.717 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1955.685956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.685956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.685956 (E_RNA) where: Base-Base interactions energy: -1343.822 where: short stacking energy: -555.221 Base-Backbone interact. energy: 1.264 local terms energy: -613.128191 where: bonds (distance) C4'-P energy: -115.849 bonds (distance) P-C4' energy: -123.649 flat angles C4'-P-C4' energy: -132.998 flat angles P-C4'-P energy: -90.081 tors. eta vs tors. theta energy: -150.551 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: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1729.099065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.099065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.099065 (E_RNA) where: Base-Base interactions energy: -1146.573 where: short stacking energy: -547.393 Base-Backbone interact. energy: -1.503 local terms energy: -581.023869 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -133.793 flat angles P-C4'-P energy: -77.823 tors. eta vs tors. theta energy: -156.410 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: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1503.136570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.136570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.136570 (E_RNA) where: Base-Base interactions energy: -970.078 where: short stacking energy: -421.988 Base-Backbone interact. energy: -2.056 local terms energy: -531.002398 where: bonds (distance) C4'-P energy: -109.498 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -139.965 flat angles P-C4'-P energy: -73.247 tors. eta vs tors. theta energy: -93.856 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: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1024.000765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.000765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.000765 (E_RNA) where: Base-Base interactions energy: -574.567 where: short stacking energy: -283.541 Base-Backbone interact. energy: -0.332 local terms energy: -449.101186 where: bonds (distance) C4'-P energy: -111.381 bonds (distance) P-C4' energy: -117.126 flat angles C4'-P-C4' energy: -101.218 flat angles P-C4'-P energy: -64.610 tors. eta vs tors. theta energy: -54.767 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: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -850.318901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.318901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.318901 (E_RNA) where: Base-Base interactions energy: -449.087 where: short stacking energy: -264.317 Base-Backbone interact. energy: -1.896 local terms energy: -399.335898 where: bonds (distance) C4'-P energy: -105.603 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -99.062 flat angles P-C4'-P energy: -55.146 tors. eta vs tors. theta energy: -25.496 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: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -643.693271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.693271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.693271 (E_RNA) where: Base-Base interactions energy: -276.528 where: short stacking energy: -185.066 Base-Backbone interact. energy: -0.002 local terms energy: -367.163056 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -95.024 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: 11.223 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: 10 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2312.791608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.791608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.791608 (E_RNA) where: Base-Base interactions energy: -1585.967 where: short stacking energy: -658.226 Base-Backbone interact. energy: -5.115 local terms energy: -721.709094 where: bonds (distance) C4'-P energy: -134.687 bonds (distance) P-C4' energy: -135.443 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -194.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2186.317713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.317713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.317713 (E_RNA) where: Base-Base interactions energy: -1482.209 where: short stacking energy: -630.698 Base-Backbone interact. energy: -0.708 local terms energy: -703.400531 where: bonds (distance) C4'-P energy: -122.730 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -148.321 flat angles P-C4'-P energy: -96.044 tors. eta vs tors. theta energy: -190.878 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: 182 Temperature: 1.000000 Total energy: -2188.541303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.541303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.541303 (E_RNA) where: Base-Base interactions energy: -1524.705 where: short stacking energy: -646.601 Base-Backbone interact. energy: -2.960 local terms energy: -660.876099 where: bonds (distance) C4'-P energy: -108.133 bonds (distance) P-C4' energy: -122.217 flat angles C4'-P-C4' energy: -144.091 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -185.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2055.461226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.461226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.461226 (E_RNA) where: Base-Base interactions energy: -1385.985 where: short stacking energy: -607.816 Base-Backbone interact. energy: -3.894 local terms energy: -665.582440 where: bonds (distance) C4'-P energy: -122.902 bonds (distance) P-C4' energy: -130.871 flat angles C4'-P-C4' energy: -138.990 flat angles P-C4'-P energy: -92.557 tors. eta vs tors. theta energy: -180.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1974.205969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.205969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.205969 (E_RNA) where: Base-Base interactions energy: -1376.648 where: short stacking energy: -606.220 Base-Backbone interact. energy: -2.777 local terms energy: -594.781183 where: bonds (distance) C4'-P energy: -114.715 bonds (distance) P-C4' energy: -125.780 flat angles C4'-P-C4' energy: -134.791 flat angles P-C4'-P energy: -69.760 tors. eta vs tors. theta energy: -149.735 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: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1708.509600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.509600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.509600 (E_RNA) where: Base-Base interactions energy: -1114.956 where: short stacking energy: -500.236 Base-Backbone interact. energy: -3.052 local terms energy: -590.501727 where: bonds (distance) C4'-P energy: -109.919 bonds (distance) P-C4' energy: -118.373 flat angles C4'-P-C4' energy: -137.227 flat angles P-C4'-P energy: -91.043 tors. eta vs tors. theta energy: -133.939 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: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1459.382153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.382153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.382153 (E_RNA) where: Base-Base interactions energy: -945.777 where: short stacking energy: -447.440 Base-Backbone interact. energy: 0.428 local terms energy: -514.032757 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -120.850 flat angles C4'-P-C4' energy: -120.669 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -102.990 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: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1045.162251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.162251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.162251 (E_RNA) where: Base-Base interactions energy: -643.551 where: short stacking energy: -315.082 Base-Backbone interact. energy: -3.861 local terms energy: -397.750052 where: bonds (distance) C4'-P energy: -87.842 bonds (distance) P-C4' energy: -97.750 flat angles C4'-P-C4' energy: -82.882 flat angles P-C4'-P energy: -98.997 tors. eta vs tors. theta energy: -30.279 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: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -633.453671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.453671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.453671 (E_RNA) where: Base-Base interactions energy: -268.481 where: short stacking energy: -185.112 Base-Backbone interact. energy: -1.711 local terms energy: -363.262227 where: bonds (distance) C4'-P energy: -82.843 bonds (distance) P-C4' energy: -122.108 flat angles C4'-P-C4' energy: -105.983 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: -8.744 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: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -818.174273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.174273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.174273 (E_RNA) where: Base-Base interactions energy: -476.781 where: short stacking energy: -230.062 Base-Backbone interact. energy: 4.885 local terms energy: -346.278722 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -87.226 flat angles C4'-P-C4' energy: -91.941 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: -16.333 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: 10 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2309.827415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.827415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.827415 (E_RNA) where: Base-Base interactions energy: -1589.484 where: short stacking energy: -665.264 Base-Backbone interact. energy: -2.428 local terms energy: -717.915361 where: bonds (distance) C4'-P energy: -137.861 bonds (distance) P-C4' energy: -138.552 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -96.453 tors. eta vs tors. theta energy: -192.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2243.881573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.881573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.881573 (E_RNA) where: Base-Base interactions energy: -1545.793 where: short stacking energy: -671.476 Base-Backbone interact. energy: -4.115 local terms energy: -693.973748 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -121.254 flat angles C4'-P-C4' energy: -141.012 flat angles P-C4'-P energy: -94.174 tors. eta vs tors. theta energy: -197.243 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: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2179.325546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.325546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.325546 (E_RNA) where: Base-Base interactions energy: -1489.055 where: short stacking energy: -638.701 Base-Backbone interact. energy: -4.470 local terms energy: -685.801020 where: bonds (distance) C4'-P energy: -124.067 bonds (distance) P-C4' energy: -130.129 flat angles C4'-P-C4' energy: -137.819 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -187.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1937.028722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.028722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.028722 (E_RNA) where: Base-Base interactions energy: -1312.919 where: short stacking energy: -561.714 Base-Backbone interact. energy: -5.315 local terms energy: -618.795031 where: bonds (distance) C4'-P energy: -109.232 bonds (distance) P-C4' energy: -121.341 flat angles C4'-P-C4' energy: -139.065 flat angles P-C4'-P energy: -84.141 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: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1875.607715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.607715 (E_RNA) where: Base-Base interactions energy: -1294.802 where: short stacking energy: -555.108 Base-Backbone interact. energy: 1.391 local terms energy: -582.196731 where: bonds (distance) C4'-P energy: -128.009 bonds (distance) P-C4' energy: -104.592 flat angles C4'-P-C4' energy: -141.938 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -145.530 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: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1685.725752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.725752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.725752 (E_RNA) where: Base-Base interactions energy: -1091.707 where: short stacking energy: -474.579 Base-Backbone interact. energy: 1.354 local terms energy: -595.372633 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -128.027 flat angles C4'-P-C4' energy: -136.956 flat angles P-C4'-P energy: -87.435 tors. eta vs tors. theta energy: -116.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1448.376140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.376140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.376140 (E_RNA) where: Base-Base interactions energy: -945.376 where: short stacking energy: -417.324 Base-Backbone interact. energy: -0.603 local terms energy: -502.397201 where: bonds (distance) C4'-P energy: -102.313 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -123.157 flat angles P-C4'-P energy: -64.432 tors. eta vs tors. theta energy: -98.838 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: 183 Temperature: 1.250000 Total energy: -931.106481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.106481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.106481 (E_RNA) where: Base-Base interactions energy: -523.467 where: short stacking energy: -255.958 Base-Backbone interact. energy: -1.399 local terms energy: -406.240171 where: bonds (distance) C4'-P energy: -97.714 bonds (distance) P-C4' energy: -111.403 flat angles C4'-P-C4' energy: -108.717 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -14.504 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: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -622.267702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.267702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.267702 (E_RNA) where: Base-Base interactions energy: -235.932 where: short stacking energy: -174.216 Base-Backbone interact. energy: 0.320 local terms energy: -386.655787 where: bonds (distance) C4'-P energy: -92.136 bonds (distance) P-C4' energy: -122.213 flat angles C4'-P-C4' energy: -100.667 flat angles P-C4'-P energy: -71.408 tors. eta vs tors. theta energy: -0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -760.898135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.898135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.898135 (E_RNA) where: Base-Base interactions energy: -405.322 where: short stacking energy: -203.496 Base-Backbone interact. energy: 0.216 local terms energy: -355.792539 where: bonds (distance) C4'-P energy: -91.410 bonds (distance) P-C4' energy: -103.876 flat angles C4'-P-C4' energy: -91.132 flat angles P-C4'-P energy: -55.426 tors. eta vs tors. theta energy: -13.948 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: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2295.845491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.845491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.845491 (E_RNA) where: Base-Base interactions energy: -1598.955 where: short stacking energy: -644.383 Base-Backbone interact. energy: -1.474 local terms energy: -695.416693 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -121.012 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -94.047 tors. eta vs tors. theta energy: -191.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2250.809766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.809766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.809766 (E_RNA) where: Base-Base interactions energy: -1554.572 where: short stacking energy: -639.253 Base-Backbone interact. energy: -2.612 local terms energy: -693.625837 where: bonds (distance) C4'-P energy: -122.336 bonds (distance) P-C4' energy: -135.823 flat angles C4'-P-C4' energy: -142.041 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -198.813 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: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2139.069186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.069186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.069186 (E_RNA) where: Base-Base interactions energy: -1426.464 where: short stacking energy: -619.806 Base-Backbone interact. energy: -0.830 local terms energy: -711.775198 where: bonds (distance) C4'-P energy: -131.564 bonds (distance) P-C4' energy: -136.004 flat angles C4'-P-C4' energy: -143.325 flat angles P-C4'-P energy: -108.256 tors. eta vs tors. theta energy: -192.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2012.906481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.906481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.906481 (E_RNA) where: Base-Base interactions energy: -1359.030 where: short stacking energy: -565.731 Base-Backbone interact. energy: -4.612 local terms energy: -649.264385 where: bonds (distance) C4'-P energy: -124.518 bonds (distance) P-C4' energy: -125.456 flat angles C4'-P-C4' energy: -138.739 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -158.775 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: 5, replica: 5 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1889.600592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.600592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.600592 (E_RNA) where: Base-Base interactions energy: -1318.975 where: short stacking energy: -529.140 Base-Backbone interact. energy: -4.086 local terms energy: -566.540300 where: bonds (distance) C4'-P energy: -110.211 bonds (distance) P-C4' energy: -122.308 flat angles C4'-P-C4' energy: -125.661 flat angles P-C4'-P energy: -81.145 tors. eta vs tors. theta energy: -127.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1664.058085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.058085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.058085 (E_RNA) where: Base-Base interactions energy: -1094.492 where: short stacking energy: -507.046 Base-Backbone interact. energy: 1.339 local terms energy: -570.905114 where: bonds (distance) C4'-P energy: -112.850 bonds (distance) P-C4' energy: -114.446 flat angles C4'-P-C4' energy: -120.945 flat angles P-C4'-P energy: -80.925 tors. eta vs tors. theta energy: -141.739 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: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1446.104375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.104375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.104375 (E_RNA) where: Base-Base interactions energy: -966.823 where: short stacking energy: -422.072 Base-Backbone interact. energy: -1.081 local terms energy: -478.200244 where: bonds (distance) C4'-P energy: -104.261 bonds (distance) P-C4' energy: -104.522 flat angles C4'-P-C4' energy: -113.389 flat angles P-C4'-P energy: -78.848 tors. eta vs tors. theta energy: -77.180 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: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -984.736074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.736074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.736074 (E_RNA) where: Base-Base interactions energy: -569.467 where: short stacking energy: -281.703 Base-Backbone interact. energy: 0.350 local terms energy: -415.619437 where: bonds (distance) C4'-P energy: -103.816 bonds (distance) P-C4' energy: -115.603 flat angles C4'-P-C4' energy: -105.623 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -18.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -725.490938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.490938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.490938 (E_RNA) where: Base-Base interactions energy: -376.104 where: short stacking energy: -213.460 Base-Backbone interact. energy: -0.312 local terms energy: -349.074295 where: bonds (distance) C4'-P energy: -75.431 bonds (distance) P-C4' energy: -110.550 flat angles C4'-P-C4' energy: -108.626 flat angles P-C4'-P energy: -53.605 tors. eta vs tors. theta energy: -0.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -606.232485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.232485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.232485 (E_RNA) where: Base-Base interactions energy: -250.271 where: short stacking energy: -174.425 Base-Backbone interact. energy: -4.562 local terms energy: -351.399394 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -111.063 flat angles C4'-P-C4' energy: -101.472 flat angles P-C4'-P energy: -54.307 tors. eta vs tors. theta energy: 12.393 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: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2303.100146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.100146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.100146 (E_RNA) where: Base-Base interactions energy: -1575.592 where: short stacking energy: -663.340 Base-Backbone interact. energy: 1.744 local terms energy: -729.252100 where: bonds (distance) C4'-P energy: -133.662 bonds (distance) P-C4' energy: -138.432 flat angles C4'-P-C4' energy: -165.439 flat angles P-C4'-P energy: -93.042 tors. eta vs tors. theta energy: -198.677 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: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2205.098258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.098258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.098258 (E_RNA) where: Base-Base interactions energy: -1531.033 where: short stacking energy: -659.760 Base-Backbone interact. energy: -2.878 local terms energy: -671.187248 where: bonds (distance) C4'-P energy: -117.921 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -140.268 flat angles P-C4'-P energy: -91.801 tors. eta vs tors. theta energy: -185.329 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: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2159.544854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.544854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.544854 (E_RNA) where: Base-Base interactions energy: -1474.499 where: short stacking energy: -614.898 Base-Backbone interact. energy: -3.175 local terms energy: -681.870845 where: bonds (distance) C4'-P energy: -112.900 bonds (distance) P-C4' energy: -134.609 flat angles C4'-P-C4' energy: -143.204 flat angles P-C4'-P energy: -109.113 tors. eta vs tors. theta energy: -182.046 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1994.249031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.249031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.249031 (E_RNA) where: Base-Base interactions energy: -1363.051 where: short stacking energy: -591.548 Base-Backbone interact. energy: -3.356 local terms energy: -627.842445 where: bonds (distance) C4'-P energy: -119.396 bonds (distance) P-C4' energy: -116.712 flat angles C4'-P-C4' energy: -129.518 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -174.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1902.833708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.833708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.833708 (E_RNA) where: Base-Base interactions energy: -1313.902 where: short stacking energy: -542.502 Base-Backbone interact. energy: -2.637 local terms energy: -586.293988 where: bonds (distance) C4'-P energy: -121.776 bonds (distance) P-C4' energy: -102.244 flat angles C4'-P-C4' energy: -132.529 flat angles P-C4'-P energy: -75.865 tors. eta vs tors. theta energy: -153.880 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: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1739.613238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.613238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.613238 (E_RNA) where: Base-Base interactions energy: -1163.768 where: short stacking energy: -520.099 Base-Backbone interact. energy: 2.577 local terms energy: -578.421821 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -121.319 flat angles C4'-P-C4' energy: -126.845 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -140.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1422.192005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.192005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.192005 (E_RNA) where: Base-Base interactions energy: -931.214 where: short stacking energy: -413.144 Base-Backbone interact. energy: -2.251 local terms energy: -488.726393 where: bonds (distance) C4'-P energy: -104.693 bonds (distance) P-C4' energy: -128.241 flat angles C4'-P-C4' energy: -99.438 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -85.675 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: 8, replica: 6 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1021.962268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.962268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.962268 (E_RNA) where: Base-Base interactions energy: -593.509 where: short stacking energy: -303.973 Base-Backbone interact. energy: 2.379 local terms energy: -430.832666 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -110.084 flat angles C4'-P-C4' energy: -114.326 flat angles P-C4'-P energy: -59.265 tors. eta vs tors. theta energy: -45.301 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: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -745.878076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.878076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.878076 (E_RNA) where: Base-Base interactions energy: -380.324 where: short stacking energy: -233.869 Base-Backbone interact. energy: 1.373 local terms energy: -366.927034 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -99.161 flat angles C4'-P-C4' energy: -115.371 flat angles P-C4'-P energy: -75.383 tors. eta vs tors. theta energy: -9.334 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: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -586.691739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.691739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.691739 (E_RNA) where: Base-Base interactions energy: -246.286 where: short stacking energy: -167.982 Base-Backbone interact. energy: 6.870 local terms energy: -347.275615 where: bonds (distance) C4'-P energy: -105.008 bonds (distance) P-C4' energy: -107.257 flat angles C4'-P-C4' energy: -84.101 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: 16.478 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: 10 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2299.622706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.622706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.622706 (E_RNA) where: Base-Base interactions energy: -1593.820 where: short stacking energy: -643.256 Base-Backbone interact. energy: -6.268 local terms energy: -699.534156 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -135.396 flat angles C4'-P-C4' energy: -138.572 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -186.948 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: 186 Temperature: 0.950000 Total energy: -2225.187705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.187705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.187705 (E_RNA) where: Base-Base interactions energy: -1519.414 where: short stacking energy: -626.175 Base-Backbone interact. energy: -1.710 local terms energy: -704.064545 where: bonds (distance) C4'-P energy: -138.947 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -153.427 flat angles P-C4'-P energy: -100.593 tors. eta vs tors. theta energy: -174.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2154.442294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.442294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.442294 (E_RNA) where: Base-Base interactions energy: -1461.840 where: short stacking energy: -624.174 Base-Backbone interact. energy: -3.337 local terms energy: -689.265609 where: bonds (distance) C4'-P energy: -125.619 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -153.572 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -182.471 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: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1958.231437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.231437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.231437 (E_RNA) where: Base-Base interactions energy: -1321.301 where: short stacking energy: -559.200 Base-Backbone interact. energy: -3.546 local terms energy: -633.383939 where: bonds (distance) C4'-P energy: -122.343 bonds (distance) P-C4' energy: -135.375 flat angles C4'-P-C4' energy: -137.390 flat angles P-C4'-P energy: -81.372 tors. eta vs tors. theta energy: -156.905 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: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1917.049825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.049825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.049825 (E_RNA) where: Base-Base interactions energy: -1328.289 where: short stacking energy: -545.856 Base-Backbone interact. energy: -0.332 local terms energy: -588.428793 where: bonds (distance) C4'-P energy: -109.814 bonds (distance) P-C4' energy: -120.949 flat angles C4'-P-C4' energy: -129.489 flat angles P-C4'-P energy: -81.978 tors. eta vs tors. theta energy: -146.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1694.390749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.390749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.390749 (E_RNA) where: Base-Base interactions energy: -1098.185 where: short stacking energy: -505.973 Base-Backbone interact. energy: 1.246 local terms energy: -597.451611 where: bonds (distance) C4'-P energy: -102.926 bonds (distance) P-C4' energy: -114.524 flat angles C4'-P-C4' energy: -148.712 flat angles P-C4'-P energy: -90.104 tors. eta vs tors. theta energy: -141.186 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: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1536.158368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.158368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.158368 (E_RNA) where: Base-Base interactions energy: -1005.769 where: short stacking energy: -460.056 Base-Backbone interact. energy: -3.700 local terms energy: -526.689420 where: bonds (distance) C4'-P energy: -119.881 bonds (distance) P-C4' energy: -110.700 flat angles C4'-P-C4' energy: -127.247 flat angles P-C4'-P energy: -68.408 tors. eta vs tors. theta energy: -100.453 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: 186 Temperature: 1.250000 Total energy: -1139.348924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.348924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.348924 (E_RNA) where: Base-Base interactions energy: -697.417 where: short stacking energy: -343.143 Base-Backbone interact. energy: 0.150 local terms energy: -442.082055 where: bonds (distance) C4'-P energy: -115.460 bonds (distance) P-C4' energy: -107.289 flat angles C4'-P-C4' energy: -97.186 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -61.199 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: 4 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -775.539647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.539647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.539647 (E_RNA) where: Base-Base interactions energy: -396.346 where: short stacking energy: -235.618 Base-Backbone interact. energy: 6.714 local terms energy: -385.908065 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -108.365 flat angles C4'-P-C4' energy: -91.768 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -18.342 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: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -632.674873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.674873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.674873 (E_RNA) where: Base-Base interactions energy: -298.162 where: short stacking energy: -196.463 Base-Backbone interact. energy: 4.892 local terms energy: -339.405314 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -107.539 flat angles C4'-P-C4' energy: -80.157 flat angles P-C4'-P energy: -51.388 tors. eta vs tors. theta energy: -3.352 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: 1, replica: 10 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2313.375735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.375735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.375735 (E_RNA) where: Base-Base interactions energy: -1616.091 where: short stacking energy: -655.563 Base-Backbone interact. energy: -6.528 local terms energy: -690.757059 where: bonds (distance) C4'-P energy: -125.791 bonds (distance) P-C4' energy: -126.576 flat angles C4'-P-C4' energy: -136.125 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -200.255 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: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2242.670162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.670162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.670162 (E_RNA) where: Base-Base interactions energy: -1537.051 where: short stacking energy: -645.206 Base-Backbone interact. energy: -4.168 local terms energy: -701.450886 where: bonds (distance) C4'-P energy: -119.772 bonds (distance) P-C4' energy: -132.822 flat angles C4'-P-C4' energy: -159.722 flat angles P-C4'-P energy: -99.985 tors. eta vs tors. theta energy: -189.150 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: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2152.018919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.018919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.018919 (E_RNA) where: Base-Base interactions energy: -1475.120 where: short stacking energy: -618.085 Base-Backbone interact. energy: -1.631 local terms energy: -675.268062 where: bonds (distance) C4'-P energy: -139.739 bonds (distance) P-C4' energy: -135.954 flat angles C4'-P-C4' energy: -129.646 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -181.842 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: 4, replica: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1980.598381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.598381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.598381 (E_RNA) where: Base-Base interactions energy: -1374.769 where: short stacking energy: -555.995 Base-Backbone interact. energy: -0.289 local terms energy: -605.539658 where: bonds (distance) C4'-P energy: -124.575 bonds (distance) P-C4' energy: -129.269 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -79.153 tors. eta vs tors. theta energy: -137.807 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: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1930.833981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.833981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.833981 (E_RNA) where: Base-Base interactions energy: -1331.950 where: short stacking energy: -561.555 Base-Backbone interact. energy: -2.070 local terms energy: -596.813902 where: bonds (distance) C4'-P energy: -104.167 bonds (distance) P-C4' energy: -113.391 flat angles C4'-P-C4' energy: -145.540 flat angles P-C4'-P energy: -82.560 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: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1676.596558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.596558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.596558 (E_RNA) where: Base-Base interactions energy: -1102.695 where: short stacking energy: -505.250 Base-Backbone interact. energy: 0.211 local terms energy: -574.112548 where: bonds (distance) C4'-P energy: -132.247 bonds (distance) P-C4' energy: -112.418 flat angles C4'-P-C4' energy: -114.638 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -128.262 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: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1517.588858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.588858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.588858 (E_RNA) where: Base-Base interactions energy: -989.763 where: short stacking energy: -432.201 Base-Backbone interact. energy: 0.165 local terms energy: -527.990728 where: bonds (distance) C4'-P energy: -114.525 bonds (distance) P-C4' energy: -128.703 flat angles C4'-P-C4' energy: -135.653 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -105.794 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: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1094.954650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.954650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.954650 (E_RNA) where: Base-Base interactions energy: -637.678 where: short stacking energy: -326.204 Base-Backbone interact. energy: -1.110 local terms energy: -456.167362 where: bonds (distance) C4'-P energy: -126.903 bonds (distance) P-C4' energy: -111.706 flat angles C4'-P-C4' energy: -103.843 flat angles P-C4'-P energy: -75.877 tors. eta vs tors. theta energy: -37.839 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: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -746.969924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.969924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.969924 (E_RNA) where: Base-Base interactions energy: -382.325 where: short stacking energy: -241.016 Base-Backbone interact. energy: 0.947 local terms energy: -365.591927 where: bonds (distance) C4'-P energy: -101.530 bonds (distance) P-C4' energy: -120.894 flat angles C4'-P-C4' energy: -75.156 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -16.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -617.471221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.471221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.471221 (E_RNA) where: Base-Base interactions energy: -286.043 where: short stacking energy: -211.055 Base-Backbone interact. energy: -0.705 local terms energy: -330.723431 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -128.580 flat angles C4'-P-C4' energy: -88.087 flat angles P-C4'-P energy: -34.029 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: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2307.214278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.214278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.214278 (E_RNA) where: Base-Base interactions energy: -1585.210 where: short stacking energy: -647.601 Base-Backbone interact. energy: -2.951 local terms energy: -719.053698 where: bonds (distance) C4'-P energy: -120.106 bonds (distance) P-C4' energy: -139.745 flat angles C4'-P-C4' energy: -158.122 flat angles P-C4'-P energy: -101.261 tors. eta vs tors. theta energy: -199.820 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: 188 Temperature: 0.950000 Total energy: -2202.819712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.819712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.819712 (E_RNA) where: Base-Base interactions energy: -1504.697 where: short stacking energy: -627.933 Base-Backbone interact. energy: -4.620 local terms energy: -693.503293 where: bonds (distance) C4'-P energy: -126.460 bonds (distance) P-C4' energy: -130.554 flat angles C4'-P-C4' energy: -150.192 flat angles P-C4'-P energy: -94.574 tors. eta vs tors. theta energy: -191.724 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: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2177.300977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.300977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.300977 (E_RNA) where: Base-Base interactions energy: -1490.650 where: short stacking energy: -618.801 Base-Backbone interact. energy: -1.466 local terms energy: -685.184181 where: bonds (distance) C4'-P energy: -127.339 bonds (distance) P-C4' energy: -123.859 flat angles C4'-P-C4' energy: -153.927 flat angles P-C4'-P energy: -83.861 tors. eta vs tors. theta energy: -196.198 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: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1924.054169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.054169 (E_RNA) where: Base-Base interactions energy: -1306.651 where: short stacking energy: -518.589 Base-Backbone interact. energy: -2.854 local terms energy: -614.548621 where: bonds (distance) C4'-P energy: -117.123 bonds (distance) P-C4' energy: -135.921 flat angles C4'-P-C4' energy: -134.040 flat angles P-C4'-P energy: -90.593 tors. eta vs tors. theta energy: -136.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1901.431708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.431708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.431708 (E_RNA) where: Base-Base interactions energy: -1285.342 where: short stacking energy: -597.315 Base-Backbone interact. energy: -2.947 local terms energy: -613.142266 where: bonds (distance) C4'-P energy: -118.384 bonds (distance) P-C4' energy: -120.546 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -84.474 tors. eta vs tors. theta energy: -162.614 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: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1638.886234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.886234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.886234 (E_RNA) where: Base-Base interactions energy: -1065.935 where: short stacking energy: -484.275 Base-Backbone interact. energy: -1.717 local terms energy: -571.233961 where: bonds (distance) C4'-P energy: -122.009 bonds (distance) P-C4' energy: -122.291 flat angles C4'-P-C4' energy: -119.875 flat angles P-C4'-P energy: -84.049 tors. eta vs tors. theta energy: -123.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1548.203123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.203123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.203123 (E_RNA) where: Base-Base interactions energy: -1018.996 where: short stacking energy: -455.944 Base-Backbone interact. energy: -1.081 local terms energy: -528.126642 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -107.286 flat angles C4'-P-C4' energy: -126.100 flat angles P-C4'-P energy: -91.650 tors. eta vs tors. theta energy: -102.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1143.947021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.947021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.947021 (E_RNA) where: Base-Base interactions energy: -649.059 where: short stacking energy: -328.811 Base-Backbone interact. energy: -1.484 local terms energy: -493.403398 where: bonds (distance) C4'-P energy: -124.299 bonds (distance) P-C4' energy: -127.009 flat angles C4'-P-C4' energy: -104.442 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -61.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -761.624895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.624895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.624895 (E_RNA) where: Base-Base interactions energy: -365.104 where: short stacking energy: -200.815 Base-Backbone interact. energy: 10.874 local terms energy: -407.394735 where: bonds (distance) C4'-P energy: -112.377 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -93.353 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: -3.507 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: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -599.802800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.802800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.802800 (E_RNA) where: Base-Base interactions energy: -275.335 where: short stacking energy: -165.855 Base-Backbone interact. energy: 1.603 local terms energy: -326.070989 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -108.027 flat angles C4'-P-C4' energy: -94.336 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: 23.827 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: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2298.421552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.421552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.421552 (E_RNA) where: Base-Base interactions energy: -1591.153 where: short stacking energy: -632.745 Base-Backbone interact. energy: 1.909 local terms energy: -709.177645 where: bonds (distance) C4'-P energy: -131.591 bonds (distance) P-C4' energy: -133.428 flat angles C4'-P-C4' energy: -149.339 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -197.563 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: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2252.924949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.924949 (E_RNA) where: Base-Base interactions energy: -1558.685 where: short stacking energy: -661.957 Base-Backbone interact. energy: -1.404 local terms energy: -692.836237 where: bonds (distance) C4'-P energy: -128.305 bonds (distance) P-C4' energy: -127.105 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -97.444 tors. eta vs tors. theta energy: -189.452 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: 8 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2128.324068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.324068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.324068 (E_RNA) where: Base-Base interactions energy: -1469.584 where: short stacking energy: -628.829 Base-Backbone interact. energy: -1.544 local terms energy: -657.196259 where: bonds (distance) C4'-P energy: -113.865 bonds (distance) P-C4' energy: -119.641 flat angles C4'-P-C4' energy: -143.517 flat angles P-C4'-P energy: -91.670 tors. eta vs tors. theta energy: -188.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1975.109341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.109341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.109341 (E_RNA) where: Base-Base interactions energy: -1358.628 where: short stacking energy: -587.577 Base-Backbone interact. energy: 0.800 local terms energy: -617.280926 where: bonds (distance) C4'-P energy: -116.384 bonds (distance) P-C4' energy: -119.533 flat angles C4'-P-C4' energy: -134.500 flat angles P-C4'-P energy: -81.846 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: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1955.973057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.973057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.973057 (E_RNA) where: Base-Base interactions energy: -1361.914 where: short stacking energy: -543.051 Base-Backbone interact. energy: -0.369 local terms energy: -593.689768 where: bonds (distance) C4'-P energy: -118.770 bonds (distance) P-C4' energy: -112.795 flat angles C4'-P-C4' energy: -137.415 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -142.184 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: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1767.108829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.108829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.108829 (E_RNA) where: Base-Base interactions energy: -1151.237 where: short stacking energy: -522.666 Base-Backbone interact. energy: -1.720 local terms energy: -614.151872 where: bonds (distance) C4'-P energy: -128.250 bonds (distance) P-C4' energy: -98.189 flat angles C4'-P-C4' energy: -145.439 flat angles P-C4'-P energy: -96.094 tors. eta vs tors. theta energy: -146.180 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: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1573.569093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.569093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.569093 (E_RNA) where: Base-Base interactions energy: -1030.150 where: short stacking energy: -459.412 Base-Backbone interact. energy: -0.441 local terms energy: -542.977990 where: bonds (distance) C4'-P energy: -112.015 bonds (distance) P-C4' energy: -125.946 flat angles C4'-P-C4' energy: -116.715 flat angles P-C4'-P energy: -81.303 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: 8, replica: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1086.890602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.890602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.890602 (E_RNA) where: Base-Base interactions energy: -627.439 where: short stacking energy: -332.879 Base-Backbone interact. energy: 1.939 local terms energy: -461.390840 where: bonds (distance) C4'-P energy: -112.070 bonds (distance) P-C4' energy: -125.415 flat angles C4'-P-C4' energy: -104.972 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -57.492 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: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -809.201083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.201083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.201083 (E_RNA) where: Base-Base interactions energy: -411.906 where: short stacking energy: -208.831 Base-Backbone interact. energy: -2.199 local terms energy: -395.096482 where: bonds (distance) C4'-P energy: -93.319 bonds (distance) P-C4' energy: -131.275 flat angles C4'-P-C4' energy: -98.812 flat angles P-C4'-P energy: -60.933 tors. eta vs tors. theta energy: -10.758 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: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -599.414364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.414364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.414364 (E_RNA) where: Base-Base interactions energy: -270.405 where: short stacking energy: -184.069 Base-Backbone interact. energy: -4.137 local terms energy: -324.872593 where: bonds (distance) C4'-P energy: -110.089 bonds (distance) P-C4' energy: -88.098 flat angles C4'-P-C4' energy: -90.284 flat angles P-C4'-P energy: -51.950 tors. eta vs tors. theta energy: 15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2299.146517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.146517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.146517 (E_RNA) where: Base-Base interactions energy: -1570.312 where: short stacking energy: -654.288 Base-Backbone interact. energy: 2.377 local terms energy: -731.212241 where: bonds (distance) C4'-P energy: -136.477 bonds (distance) P-C4' energy: -141.536 flat angles C4'-P-C4' energy: -159.924 flat angles P-C4'-P energy: -98.504 tors. eta vs tors. theta energy: -194.771 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: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2246.030087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.030087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.030087 (E_RNA) where: Base-Base interactions energy: -1529.486 where: short stacking energy: -651.052 Base-Backbone interact. energy: -2.943 local terms energy: -713.600841 where: bonds (distance) C4'-P energy: -150.101 bonds (distance) P-C4' energy: -125.972 flat angles C4'-P-C4' energy: -149.641 flat angles P-C4'-P energy: -85.825 tors. eta vs tors. theta energy: -202.062 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: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2141.972769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.972769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.972769 (E_RNA) where: Base-Base interactions energy: -1447.017 where: short stacking energy: -605.458 Base-Backbone interact. energy: -0.135 local terms energy: -694.820362 where: bonds (distance) C4'-P energy: -123.754 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -140.234 flat angles P-C4'-P energy: -102.342 tors. eta vs tors. theta energy: -186.492 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: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2012.636861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.636861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.636861 (E_RNA) where: Base-Base interactions energy: -1396.389 where: short stacking energy: -577.412 Base-Backbone interact. energy: -2.752 local terms energy: -613.496742 where: bonds (distance) C4'-P energy: -119.079 bonds (distance) P-C4' energy: -116.464 flat angles C4'-P-C4' energy: -133.983 flat angles P-C4'-P energy: -85.973 tors. eta vs tors. theta energy: -157.997 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: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1921.823906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.823906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.823906 (E_RNA) where: Base-Base interactions energy: -1342.008 where: short stacking energy: -541.103 Base-Backbone interact. energy: -3.943 local terms energy: -575.872765 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -123.018 flat angles C4'-P-C4' energy: -138.375 flat angles P-C4'-P energy: -78.475 tors. eta vs tors. theta energy: -132.540 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: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1754.651197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.651197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.651197 (E_RNA) where: Base-Base interactions energy: -1153.997 where: short stacking energy: -511.813 Base-Backbone interact. energy: 0.649 local terms energy: -601.303053 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -117.320 flat angles C4'-P-C4' energy: -137.371 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -147.663 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: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1543.810723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.810723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.810723 (E_RNA) where: Base-Base interactions energy: -1033.527 where: short stacking energy: -462.360 Base-Backbone interact. energy: -4.256 local terms energy: -506.028558 where: bonds (distance) C4'-P energy: -107.241 bonds (distance) P-C4' energy: -90.742 flat angles C4'-P-C4' energy: -122.765 flat angles P-C4'-P energy: -68.856 tors. eta vs tors. theta energy: -116.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1091.790580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.790580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.790580 (E_RNA) where: Base-Base interactions energy: -665.139 where: short stacking energy: -319.072 Base-Backbone interact. energy: 6.698 local terms energy: -433.349469 where: bonds (distance) C4'-P energy: -115.775 bonds (distance) P-C4' energy: -123.814 flat angles C4'-P-C4' energy: -86.961 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -39.350 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: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -949.959103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.959103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.959103 (E_RNA) where: Base-Base interactions energy: -517.811 where: short stacking energy: -266.793 Base-Backbone interact. energy: -0.173 local terms energy: -431.974774 where: bonds (distance) C4'-P energy: -113.365 bonds (distance) P-C4' energy: -114.436 flat angles C4'-P-C4' energy: -102.334 flat angles P-C4'-P energy: -75.001 tors. eta vs tors. theta energy: -26.840 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: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -576.943267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.943267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.943267 (E_RNA) where: Base-Base interactions energy: -251.096 where: short stacking energy: -162.286 Base-Backbone interact. energy: 5.953 local terms energy: -331.800114 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -106.366 flat angles C4'-P-C4' energy: -76.239 flat angles P-C4'-P energy: -53.757 tors. eta vs tors. theta energy: 34.939 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: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2259.850277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.850277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.850277 (E_RNA) where: Base-Base interactions energy: -1537.939 where: short stacking energy: -663.471 Base-Backbone interact. energy: -4.803 local terms energy: -717.108220 where: bonds (distance) C4'-P energy: -132.063 bonds (distance) P-C4' energy: -132.683 flat angles C4'-P-C4' energy: -154.668 flat angles P-C4'-P energy: -105.023 tors. eta vs tors. theta energy: -192.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2249.254366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.254366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.254366 (E_RNA) where: Base-Base interactions energy: -1527.041 where: short stacking energy: -679.889 Base-Backbone interact. energy: 1.379 local terms energy: -723.592898 where: bonds (distance) C4'-P energy: -128.516 bonds (distance) P-C4' energy: -142.984 flat angles C4'-P-C4' energy: -139.908 flat angles P-C4'-P energy: -104.630 tors. eta vs tors. theta energy: -207.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2147.777422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.777422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.777422 (E_RNA) where: Base-Base interactions energy: -1462.745 where: short stacking energy: -618.058 Base-Backbone interact. energy: -1.515 local terms energy: -683.517338 where: bonds (distance) C4'-P energy: -123.834 bonds (distance) P-C4' energy: -131.437 flat angles C4'-P-C4' energy: -151.096 flat angles P-C4'-P energy: -91.144 tors. eta vs tors. theta energy: -186.006 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: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1992.503328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.503328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.503328 (E_RNA) where: Base-Base interactions energy: -1316.207 where: short stacking energy: -598.741 Base-Backbone interact. energy: -2.486 local terms energy: -673.810041 where: bonds (distance) C4'-P energy: -131.833 bonds (distance) P-C4' energy: -140.734 flat angles C4'-P-C4' energy: -131.612 flat angles P-C4'-P energy: -90.323 tors. eta vs tors. theta energy: -179.308 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: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1876.772905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.772905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.772905 (E_RNA) where: Base-Base interactions energy: -1274.156 where: short stacking energy: -526.373 Base-Backbone interact. energy: -0.446 local terms energy: -602.171546 where: bonds (distance) C4'-P energy: -122.632 bonds (distance) P-C4' energy: -134.223 flat angles C4'-P-C4' energy: -132.726 flat angles P-C4'-P energy: -81.461 tors. eta vs tors. theta energy: -131.130 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: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1787.329079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.329079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.329079 (E_RNA) where: Base-Base interactions energy: -1206.145 where: short stacking energy: -539.479 Base-Backbone interact. energy: -3.756 local terms energy: -577.427398 where: bonds (distance) C4'-P energy: -99.163 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -127.598 flat angles P-C4'-P energy: -95.382 tors. eta vs tors. theta energy: -143.764 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: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1509.302316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.302316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.302316 (E_RNA) where: Base-Base interactions energy: -974.923 where: short stacking energy: -451.908 Base-Backbone interact. energy: -0.852 local terms energy: -533.527247 where: bonds (distance) C4'-P energy: -99.883 bonds (distance) P-C4' energy: -123.541 flat angles C4'-P-C4' energy: -130.851 flat angles P-C4'-P energy: -82.510 tors. eta vs tors. theta energy: -96.743 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: 8, replica: 6 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1173.583245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.583245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.583245 (E_RNA) where: Base-Base interactions energy: -731.885 where: short stacking energy: -350.918 Base-Backbone interact. energy: -0.919 local terms energy: -440.779387 where: bonds (distance) C4'-P energy: -99.515 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -65.152 tors. eta vs tors. theta energy: -65.465 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: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -859.635555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.635555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.635555 (E_RNA) where: Base-Base interactions energy: -473.897 where: short stacking energy: -231.892 Base-Backbone interact. energy: -2.406 local terms energy: -383.332139 where: bonds (distance) C4'-P energy: -110.456 bonds (distance) P-C4' energy: -117.232 flat angles C4'-P-C4' energy: -94.798 flat angles P-C4'-P energy: -50.443 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -591.496994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.496994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.496994 (E_RNA) where: Base-Base interactions energy: -252.688 where: short stacking energy: -172.207 Base-Backbone interact. energy: 2.643 local terms energy: -341.451627 where: bonds (distance) C4'-P energy: -97.550 bonds (distance) P-C4' energy: -118.312 flat angles C4'-P-C4' energy: -97.649 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: 30.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2276.279170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.279170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.279170 (E_RNA) where: Base-Base interactions energy: -1560.974 where: short stacking energy: -681.623 Base-Backbone interact. energy: -3.232 local terms energy: -712.073907 where: bonds (distance) C4'-P energy: -136.837 bonds (distance) P-C4' energy: -134.342 flat angles C4'-P-C4' energy: -145.820 flat angles P-C4'-P energy: -102.422 tors. eta vs tors. theta energy: -192.653 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: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2283.647431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.647431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.647431 (E_RNA) where: Base-Base interactions energy: -1558.730 where: short stacking energy: -687.822 Base-Backbone interact. energy: -1.834 local terms energy: -723.083325 where: bonds (distance) C4'-P energy: -128.193 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -153.856 flat angles P-C4'-P energy: -108.340 tors. eta vs tors. theta energy: -207.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2164.228659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.228659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.228659 (E_RNA) where: Base-Base interactions energy: -1511.288 where: short stacking energy: -652.402 Base-Backbone interact. energy: 2.743 local terms energy: -655.684234 where: bonds (distance) C4'-P energy: -119.223 bonds (distance) P-C4' energy: -127.816 flat angles C4'-P-C4' energy: -146.677 flat angles P-C4'-P energy: -85.420 tors. eta vs tors. theta energy: -176.548 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: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1988.575625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.575625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.575625 (E_RNA) where: Base-Base interactions energy: -1374.064 where: short stacking energy: -571.474 Base-Backbone interact. energy: 0.104 local terms energy: -614.615899 where: bonds (distance) C4'-P energy: -113.525 bonds (distance) P-C4' energy: -113.417 flat angles C4'-P-C4' energy: -133.658 flat angles P-C4'-P energy: -91.748 tors. eta vs tors. theta energy: -162.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1897.243444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.243444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.243444 (E_RNA) where: Base-Base interactions energy: -1316.712 where: short stacking energy: -540.298 Base-Backbone interact. energy: 0.760 local terms energy: -581.291452 where: bonds (distance) C4'-P energy: -112.523 bonds (distance) P-C4' energy: -119.516 flat angles C4'-P-C4' energy: -124.139 flat angles P-C4'-P energy: -81.211 tors. eta vs tors. theta energy: -143.902 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: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1783.541146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.541146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.541146 (E_RNA) where: Base-Base interactions energy: -1177.416 where: short stacking energy: -498.789 Base-Backbone interact. energy: -0.853 local terms energy: -605.272492 where: bonds (distance) C4'-P energy: -139.937 bonds (distance) P-C4' energy: -111.649 flat angles C4'-P-C4' energy: -123.152 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -142.396 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: 2 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1522.711144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.711144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.711144 (E_RNA) where: Base-Base interactions energy: -1006.621 where: short stacking energy: -447.863 Base-Backbone interact. energy: -2.871 local terms energy: -513.219493 where: bonds (distance) C4'-P energy: -110.302 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -124.185 flat angles P-C4'-P energy: -64.456 tors. eta vs tors. theta energy: -105.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1117.916748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.916748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.916748 (E_RNA) where: Base-Base interactions energy: -683.481 where: short stacking energy: -326.261 Base-Backbone interact. energy: -3.303 local terms energy: -431.132726 where: bonds (distance) C4'-P energy: -103.225 bonds (distance) P-C4' energy: -114.048 flat angles C4'-P-C4' energy: -104.297 flat angles P-C4'-P energy: -66.516 tors. eta vs tors. theta energy: -43.047 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: 9, replica: 4 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -884.520642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.520642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.520642 (E_RNA) where: Base-Base interactions energy: -486.852 where: short stacking energy: -259.254 Base-Backbone interact. energy: 0.932 local terms energy: -398.601146 where: bonds (distance) C4'-P energy: -115.733 bonds (distance) P-C4' energy: -95.642 flat angles C4'-P-C4' energy: -100.541 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -10.758 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: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -620.806372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.806372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.806372 (E_RNA) where: Base-Base interactions energy: -278.054 where: short stacking energy: -160.671 Base-Backbone interact. energy: 1.903 local terms energy: -344.655470 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -100.601 flat angles C4'-P-C4' energy: -91.471 flat angles P-C4'-P energy: -59.653 tors. eta vs tors. theta energy: 4.239 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: 1, replica: 10 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2307.916916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.916916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.916916 (E_RNA) where: Base-Base interactions energy: -1563.472 where: short stacking energy: -677.749 Base-Backbone interact. energy: -1.653 local terms energy: -742.791965 where: bonds (distance) C4'-P energy: -150.598 bonds (distance) P-C4' energy: -136.342 flat angles C4'-P-C4' energy: -145.319 flat angles P-C4'-P energy: -111.732 tors. eta vs tors. theta energy: -198.801 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: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2257.299885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.299885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.299885 (E_RNA) where: Base-Base interactions energy: -1532.978 where: short stacking energy: -664.373 Base-Backbone interact. energy: -2.259 local terms energy: -722.062351 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -135.878 flat angles C4'-P-C4' energy: -153.398 flat angles P-C4'-P energy: -93.678 tors. eta vs tors. theta energy: -199.777 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: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2164.434333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.434333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.434333 (E_RNA) where: Base-Base interactions energy: -1487.292 where: short stacking energy: -623.632 Base-Backbone interact. energy: -0.050 local terms energy: -677.091908 where: bonds (distance) C4'-P energy: -140.983 bonds (distance) P-C4' energy: -124.893 flat angles C4'-P-C4' energy: -136.901 flat angles P-C4'-P energy: -99.406 tors. eta vs tors. theta energy: -174.909 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: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2045.015609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.015609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.015609 (E_RNA) where: Base-Base interactions energy: -1387.143 where: short stacking energy: -622.716 Base-Backbone interact. energy: -3.177 local terms energy: -654.695870 where: bonds (distance) C4'-P energy: -127.962 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -85.231 tors. eta vs tors. theta energy: -180.266 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: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1873.619621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.619621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.619621 (E_RNA) where: Base-Base interactions energy: -1279.985 where: short stacking energy: -493.936 Base-Backbone interact. energy: -1.220 local terms energy: -592.414681 where: bonds (distance) C4'-P energy: -119.767 bonds (distance) P-C4' energy: -112.710 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -77.186 tors. eta vs tors. theta energy: -143.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1788.060754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.060754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.060754 (E_RNA) where: Base-Base interactions energy: -1219.112 where: short stacking energy: -557.677 Base-Backbone interact. energy: 1.440 local terms energy: -570.389287 where: bonds (distance) C4'-P energy: -92.948 bonds (distance) P-C4' energy: -128.031 flat angles C4'-P-C4' energy: -115.939 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -149.201 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: 2 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1570.843103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.843103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.843103 (E_RNA) where: Base-Base interactions energy: -1061.042 where: short stacking energy: -488.697 Base-Backbone interact. energy: 2.093 local terms energy: -511.893929 where: bonds (distance) C4'-P energy: -110.195 bonds (distance) P-C4' energy: -113.496 flat angles C4'-P-C4' energy: -103.622 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -124.666 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: 8, replica: 6 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1100.964588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.964588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.964588 (E_RNA) where: Base-Base interactions energy: -638.396 where: short stacking energy: -328.498 Base-Backbone interact. energy: 7.367 local terms energy: -469.935469 where: bonds (distance) C4'-P energy: -109.508 bonds (distance) P-C4' energy: -123.783 flat angles C4'-P-C4' energy: -114.247 flat angles P-C4'-P energy: -63.009 tors. eta vs tors. theta energy: -59.389 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: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -833.854898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.854898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.854898 (E_RNA) where: Base-Base interactions energy: -432.567 where: short stacking energy: -237.946 Base-Backbone interact. energy: -2.950 local terms energy: -398.338406 where: bonds (distance) C4'-P energy: -104.721 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -97.538 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -22.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -623.254341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.254341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.254341 (E_RNA) where: Base-Base interactions energy: -276.145 where: short stacking energy: -176.895 Base-Backbone interact. energy: -5.056 local terms energy: -342.052941 where: bonds (distance) C4'-P energy: -114.339 bonds (distance) P-C4' energy: -101.119 flat angles C4'-P-C4' energy: -97.650 flat angles P-C4'-P energy: -29.409 tors. eta vs tors. theta energy: 0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2274.130168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.130168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.130168 (E_RNA) where: Base-Base interactions energy: -1547.016 where: short stacking energy: -650.551 Base-Backbone interact. energy: -0.112 local terms energy: -727.003072 where: bonds (distance) C4'-P energy: -141.767 bonds (distance) P-C4' energy: -136.779 flat angles C4'-P-C4' energy: -153.184 flat angles P-C4'-P energy: -95.381 tors. eta vs tors. theta energy: -199.893 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: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2231.809629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.809629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.809629 (E_RNA) where: Base-Base interactions energy: -1511.521 where: short stacking energy: -660.044 Base-Backbone interact. energy: -4.332 local terms energy: -715.956603 where: bonds (distance) C4'-P energy: -135.496 bonds (distance) P-C4' energy: -126.204 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -107.748 tors. eta vs tors. theta energy: -203.959 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: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2163.242620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.242620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.242620 (E_RNA) where: Base-Base interactions energy: -1482.382 where: short stacking energy: -642.280 Base-Backbone interact. energy: -1.408 local terms energy: -679.452651 where: bonds (distance) C4'-P energy: -125.084 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -156.531 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -179.832 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: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2046.306665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.306665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.306665 (E_RNA) where: Base-Base interactions energy: -1419.623 where: short stacking energy: -608.655 Base-Backbone interact. energy: -2.657 local terms energy: -624.026608 where: bonds (distance) C4'-P energy: -102.703 bonds (distance) P-C4' energy: -119.873 flat angles C4'-P-C4' energy: -144.417 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -165.430 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: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1891.701246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.701246 (E_RNA) where: Base-Base interactions energy: -1301.076 where: short stacking energy: -515.566 Base-Backbone interact. energy: -1.681 local terms energy: -588.944158 where: bonds (distance) C4'-P energy: -120.369 bonds (distance) P-C4' energy: -113.928 flat angles C4'-P-C4' energy: -137.116 flat angles P-C4'-P energy: -86.743 tors. eta vs tors. theta energy: -130.788 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: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1767.912465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.912465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.912465 (E_RNA) where: Base-Base interactions energy: -1180.674 where: short stacking energy: -524.233 Base-Backbone interact. energy: 3.579 local terms energy: -590.817127 where: bonds (distance) C4'-P energy: -106.030 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -123.746 flat angles P-C4'-P energy: -83.591 tors. eta vs tors. theta energy: -146.131 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: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1588.324632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.324632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.324632 (E_RNA) where: Base-Base interactions energy: -1062.771 where: short stacking energy: -440.505 Base-Backbone interact. energy: -0.210 local terms energy: -525.343738 where: bonds (distance) C4'-P energy: -115.815 bonds (distance) P-C4' energy: -119.613 flat angles C4'-P-C4' energy: -113.209 flat angles P-C4'-P energy: -71.494 tors. eta vs tors. theta energy: -105.213 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: 194 Temperature: 1.250000 Total energy: -1126.548471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.548471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.548471 (E_RNA) where: Base-Base interactions energy: -674.387 where: short stacking energy: -350.085 Base-Backbone interact. energy: 5.212 local terms energy: -457.373347 where: bonds (distance) C4'-P energy: -110.520 bonds (distance) P-C4' energy: -105.395 flat angles C4'-P-C4' energy: -108.752 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -67.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -865.924534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.924534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.924534 (E_RNA) where: Base-Base interactions energy: -467.242 where: short stacking energy: -274.576 Base-Backbone interact. energy: -3.689 local terms energy: -394.994053 where: bonds (distance) C4'-P energy: -104.447 bonds (distance) P-C4' energy: -105.652 flat angles C4'-P-C4' energy: -109.414 flat angles P-C4'-P energy: -49.679 tors. eta vs tors. theta energy: -25.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -564.468926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.468926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.468926 (E_RNA) where: Base-Base interactions energy: -235.728 where: short stacking energy: -168.375 Base-Backbone interact. energy: -0.637 local terms energy: -328.103735 where: bonds (distance) C4'-P energy: -112.818 bonds (distance) P-C4' energy: -105.236 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -38.472 tors. eta vs tors. theta energy: 22.038 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: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2270.703385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.703385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.703385 (E_RNA) where: Base-Base interactions energy: -1525.627 where: short stacking energy: -651.190 Base-Backbone interact. energy: -2.776 local terms energy: -742.300366 where: bonds (distance) C4'-P energy: -146.384 bonds (distance) P-C4' energy: -133.363 flat angles C4'-P-C4' energy: -159.060 flat angles P-C4'-P energy: -114.010 tors. eta vs tors. theta energy: -189.483 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: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2216.476292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.476292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.476292 (E_RNA) where: Base-Base interactions energy: -1536.168 where: short stacking energy: -649.579 Base-Backbone interact. energy: 0.167 local terms energy: -680.474750 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -127.181 flat angles C4'-P-C4' energy: -144.670 flat angles P-C4'-P energy: -92.175 tors. eta vs tors. theta energy: -187.157 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: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2141.185150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.185150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.185150 (E_RNA) where: Base-Base interactions energy: -1487.891 where: short stacking energy: -630.034 Base-Backbone interact. energy: -1.812 local terms energy: -651.481567 where: bonds (distance) C4'-P energy: -120.270 bonds (distance) P-C4' energy: -119.687 flat angles C4'-P-C4' energy: -128.898 flat angles P-C4'-P energy: -101.478 tors. eta vs tors. theta energy: -181.148 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: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2073.602671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.602671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.602671 (E_RNA) where: Base-Base interactions energy: -1401.389 where: short stacking energy: -592.624 Base-Backbone interact. energy: 0.624 local terms energy: -672.837029 where: bonds (distance) C4'-P energy: -133.351 bonds (distance) P-C4' energy: -133.688 flat angles C4'-P-C4' energy: -130.585 flat angles P-C4'-P energy: -94.227 tors. eta vs tors. theta energy: -180.985 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: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1930.966170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.966170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.966170 (E_RNA) where: Base-Base interactions energy: -1316.120 where: short stacking energy: -534.641 Base-Backbone interact. energy: -1.858 local terms energy: -612.988301 where: bonds (distance) C4'-P energy: -122.538 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -81.829 tors. eta vs tors. theta energy: -136.280 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: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1792.186150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.186150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.186150 (E_RNA) where: Base-Base interactions energy: -1180.779 where: short stacking energy: -542.758 Base-Backbone interact. energy: -2.405 local terms energy: -609.002326 where: bonds (distance) C4'-P energy: -102.547 bonds (distance) P-C4' energy: -117.732 flat angles C4'-P-C4' energy: -139.834 flat angles P-C4'-P energy: -99.412 tors. eta vs tors. theta energy: -149.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1557.763744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.763744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.763744 (E_RNA) where: Base-Base interactions energy: -1006.653 where: short stacking energy: -440.695 Base-Backbone interact. energy: -0.804 local terms energy: -550.307133 where: bonds (distance) C4'-P energy: -124.826 bonds (distance) P-C4' energy: -113.743 flat angles C4'-P-C4' energy: -119.494 flat angles P-C4'-P energy: -79.334 tors. eta vs tors. theta energy: -112.909 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: 6 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1147.289192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.289192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.289192 (E_RNA) where: Base-Base interactions energy: -672.331 where: short stacking energy: -336.112 Base-Backbone interact. energy: 2.580 local terms energy: -477.537971 where: bonds (distance) C4'-P energy: -119.605 bonds (distance) P-C4' energy: -117.896 flat angles C4'-P-C4' energy: -120.219 flat angles P-C4'-P energy: -65.539 tors. eta vs tors. theta energy: -54.278 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: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -970.161985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.161985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.161985 (E_RNA) where: Base-Base interactions energy: -565.949 where: short stacking energy: -301.566 Base-Backbone interact. energy: -2.903 local terms energy: -401.309824 where: bonds (distance) C4'-P energy: -105.292 bonds (distance) P-C4' energy: -95.363 flat angles C4'-P-C4' energy: -95.261 flat angles P-C4'-P energy: -58.972 tors. eta vs tors. theta energy: -46.421 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: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -555.075799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.075799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.075799 (E_RNA) where: Base-Base interactions energy: -222.457 where: short stacking energy: -155.780 Base-Backbone interact. energy: 0.904 local terms energy: -333.522839 where: bonds (distance) C4'-P energy: -90.120 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -94.670 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: 21.986 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: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2287.887169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.887169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.887169 (E_RNA) where: Base-Base interactions energy: -1587.678 where: short stacking energy: -681.625 Base-Backbone interact. energy: -3.084 local terms energy: -697.125387 where: bonds (distance) C4'-P energy: -120.137 bonds (distance) P-C4' energy: -137.537 flat angles C4'-P-C4' energy: -152.326 flat angles P-C4'-P energy: -91.902 tors. eta vs tors. theta energy: -195.224 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: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2268.681523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.681523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.681523 (E_RNA) where: Base-Base interactions energy: -1551.384 where: short stacking energy: -667.019 Base-Backbone interact. energy: -3.430 local terms energy: -713.866835 where: bonds (distance) C4'-P energy: -135.431 bonds (distance) P-C4' energy: -136.224 flat angles C4'-P-C4' energy: -144.928 flat angles P-C4'-P energy: -97.849 tors. eta vs tors. theta energy: -199.435 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: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2054.574697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.574697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.574697 (E_RNA) where: Base-Base interactions energy: -1397.555 where: short stacking energy: -596.623 Base-Backbone interact. energy: -0.923 local terms energy: -656.096079 where: bonds (distance) C4'-P energy: -109.822 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -140.184 flat angles P-C4'-P energy: -101.243 tors. eta vs tors. theta energy: -176.984 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: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2084.448319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.448319 (E_RNA) where: Base-Base interactions energy: -1384.971 where: short stacking energy: -605.337 Base-Backbone interact. energy: -2.666 local terms energy: -696.810899 where: bonds (distance) C4'-P energy: -123.317 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -190.919 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: 5, replica: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1958.047281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.047281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.047281 (E_RNA) where: Base-Base interactions energy: -1367.845 where: short stacking energy: -559.114 Base-Backbone interact. energy: -4.816 local terms energy: -585.386159 where: bonds (distance) C4'-P energy: -102.526 bonds (distance) P-C4' energy: -129.333 flat angles C4'-P-C4' energy: -128.459 flat angles P-C4'-P energy: -78.043 tors. eta vs tors. theta energy: -147.026 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: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1826.758295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.758295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.758295 (E_RNA) where: Base-Base interactions energy: -1225.166 where: short stacking energy: -520.917 Base-Backbone interact. energy: -1.331 local terms energy: -600.261430 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -104.389 flat angles C4'-P-C4' energy: -138.390 flat angles P-C4'-P energy: -84.493 tors. eta vs tors. theta energy: -153.780 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1513.851056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.851056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.851056 (E_RNA) where: Base-Base interactions energy: -1015.081 where: short stacking energy: -441.076 Base-Backbone interact. energy: -1.047 local terms energy: -497.723000 where: bonds (distance) C4'-P energy: -93.257 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -112.316 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -93.173 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: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1150.624313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.624313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.624313 (E_RNA) where: Base-Base interactions energy: -699.296 where: short stacking energy: -343.210 Base-Backbone interact. energy: -2.881 local terms energy: -448.447170 where: bonds (distance) C4'-P energy: -112.690 bonds (distance) P-C4' energy: -120.959 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -52.201 tors. eta vs tors. theta energy: -57.683 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: 4 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -910.445331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.445331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.445331 (E_RNA) where: Base-Base interactions energy: -496.548 where: short stacking energy: -283.773 Base-Backbone interact. energy: 7.722 local terms energy: -421.618817 where: bonds (distance) C4'-P energy: -95.103 bonds (distance) P-C4' energy: -108.372 flat angles C4'-P-C4' energy: -117.159 flat angles P-C4'-P energy: -69.775 tors. eta vs tors. theta energy: -31.209 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: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -598.796034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.796034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.796034 (E_RNA) where: Base-Base interactions energy: -247.563 where: short stacking energy: -183.549 Base-Backbone interact. energy: 6.639 local terms energy: -357.871235 where: bonds (distance) C4'-P energy: -118.708 bonds (distance) P-C4' energy: -109.132 flat angles C4'-P-C4' energy: -87.987 flat angles P-C4'-P energy: -57.897 tors. eta vs tors. theta energy: 15.852 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: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2253.712905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.712905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.712905 (E_RNA) where: Base-Base interactions energy: -1552.592 where: short stacking energy: -642.479 Base-Backbone interact. energy: -1.012 local terms energy: -700.109069 where: bonds (distance) C4'-P energy: -134.733 bonds (distance) P-C4' energy: -127.691 flat angles C4'-P-C4' energy: -144.718 flat angles P-C4'-P energy: -99.552 tors. eta vs tors. theta energy: -193.415 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: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2277.576617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.576617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.576617 (E_RNA) where: Base-Base interactions energy: -1557.783 where: short stacking energy: -665.749 Base-Backbone interact. energy: -5.068 local terms energy: -714.726012 where: bonds (distance) C4'-P energy: -130.067 bonds (distance) P-C4' energy: -135.792 flat angles C4'-P-C4' energy: -144.809 flat angles P-C4'-P energy: -105.122 tors. eta vs tors. theta energy: -198.936 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: 3, replica: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2182.567609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.567609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.567609 (E_RNA) where: Base-Base interactions energy: -1509.353 where: short stacking energy: -673.034 Base-Backbone interact. energy: -3.652 local terms energy: -669.562888 where: bonds (distance) C4'-P energy: -123.852 bonds (distance) P-C4' energy: -116.466 flat angles C4'-P-C4' energy: -152.119 flat angles P-C4'-P energy: -84.207 tors. eta vs tors. theta energy: -192.918 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: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2085.276863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.276863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.276863 (E_RNA) where: Base-Base interactions energy: -1423.867 where: short stacking energy: -625.916 Base-Backbone interact. energy: -0.833 local terms energy: -660.577321 where: bonds (distance) C4'-P energy: -123.250 bonds (distance) P-C4' energy: -126.034 flat angles C4'-P-C4' energy: -145.526 flat angles P-C4'-P energy: -85.008 tors. eta vs tors. theta energy: -180.760 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: 5, replica: 5 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1933.830155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.830155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.830155 (E_RNA) where: Base-Base interactions energy: -1330.014 where: short stacking energy: -536.503 Base-Backbone interact. energy: -3.515 local terms energy: -600.300885 where: bonds (distance) C4'-P energy: -122.608 bonds (distance) P-C4' energy: -121.575 flat angles C4'-P-C4' energy: -127.631 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -150.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1743.861657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.861657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.861657 (E_RNA) where: Base-Base interactions energy: -1182.812 where: short stacking energy: -511.642 Base-Backbone interact. energy: -2.340 local terms energy: -558.709500 where: bonds (distance) C4'-P energy: -118.331 bonds (distance) P-C4' energy: -99.594 flat angles C4'-P-C4' energy: -124.847 flat angles P-C4'-P energy: -71.178 tors. eta vs tors. theta energy: -144.760 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: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1539.769090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.769090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.769090 (E_RNA) where: Base-Base interactions energy: -1021.945 where: short stacking energy: -428.269 Base-Backbone interact. energy: -1.906 local terms energy: -515.918758 where: bonds (distance) C4'-P energy: -110.911 bonds (distance) P-C4' energy: -115.045 flat angles C4'-P-C4' energy: -117.844 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -92.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1138.402523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.402523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.402523 (E_RNA) where: Base-Base interactions energy: -680.908 where: short stacking energy: -333.468 Base-Backbone interact. energy: -1.118 local terms energy: -456.376653 where: bonds (distance) C4'-P energy: -98.096 bonds (distance) P-C4' energy: -113.686 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -66.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -873.158096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.158096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.158096 (E_RNA) where: Base-Base interactions energy: -443.639 where: short stacking energy: -269.931 Base-Backbone interact. energy: 0.617 local terms energy: -430.136402 where: bonds (distance) C4'-P energy: -104.007 bonds (distance) P-C4' energy: -114.489 flat angles C4'-P-C4' energy: -123.187 flat angles P-C4'-P energy: -65.502 tors. eta vs tors. theta energy: -22.951 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: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -604.612678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.612678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.612678 (E_RNA) where: Base-Base interactions energy: -283.156 where: short stacking energy: -174.888 Base-Backbone interact. energy: 3.141 local terms energy: -324.597347 where: bonds (distance) C4'-P energy: -107.591 bonds (distance) P-C4' energy: -100.836 flat angles C4'-P-C4' energy: -80.159 flat angles P-C4'-P energy: -69.452 tors. eta vs tors. theta energy: 33.440 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: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2322.996462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.996462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.996462 (E_RNA) where: Base-Base interactions energy: -1594.598 where: short stacking energy: -680.692 Base-Backbone interact. energy: -1.520 local terms energy: -726.878318 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -133.759 flat angles C4'-P-C4' energy: -164.618 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -204.820 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: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2234.014661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.014661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.014661 (E_RNA) where: Base-Base interactions energy: -1535.841 where: short stacking energy: -627.563 Base-Backbone interact. energy: -1.208 local terms energy: -696.965681 where: bonds (distance) C4'-P energy: -120.841 bonds (distance) P-C4' energy: -134.074 flat angles C4'-P-C4' energy: -148.212 flat angles P-C4'-P energy: -95.027 tors. eta vs tors. theta energy: -198.811 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: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2081.031211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.031211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.031211 (E_RNA) where: Base-Base interactions energy: -1412.456 where: short stacking energy: -572.021 Base-Backbone interact. energy: -2.933 local terms energy: -665.642084 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -135.325 flat angles C4'-P-C4' energy: -146.798 flat angles P-C4'-P energy: -109.250 tors. eta vs tors. theta energy: -163.314 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: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2076.979511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.979511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.979511 (E_RNA) where: Base-Base interactions energy: -1470.931 where: short stacking energy: -603.724 Base-Backbone interact. energy: -3.633 local terms energy: -602.415368 where: bonds (distance) C4'-P energy: -103.240 bonds (distance) P-C4' energy: -103.797 flat angles C4'-P-C4' energy: -133.787 flat angles P-C4'-P energy: -85.023 tors. eta vs tors. theta energy: -176.568 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: 5, replica: 5 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1906.105739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.105739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.105739 (E_RNA) where: Base-Base interactions energy: -1332.045 where: short stacking energy: -542.742 Base-Backbone interact. energy: -1.128 local terms energy: -572.933074 where: bonds (distance) C4'-P energy: -113.962 bonds (distance) P-C4' energy: -100.399 flat angles C4'-P-C4' energy: -136.152 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: -136.559 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: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1791.369478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.369478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.369478 (E_RNA) where: Base-Base interactions energy: -1221.134 where: short stacking energy: -521.697 Base-Backbone interact. energy: 1.297 local terms energy: -571.532666 where: bonds (distance) C4'-P energy: -104.904 bonds (distance) P-C4' energy: -113.829 flat angles C4'-P-C4' energy: -131.934 flat angles P-C4'-P energy: -85.296 tors. eta vs tors. theta energy: -135.570 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: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1484.117738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.117738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.117738 (E_RNA) where: Base-Base interactions energy: -967.801 where: short stacking energy: -423.058 Base-Backbone interact. energy: 8.050 local terms energy: -524.365997 where: bonds (distance) C4'-P energy: -114.305 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -120.443 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -96.016 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: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1097.898626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.898626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.898626 (E_RNA) where: Base-Base interactions energy: -646.653 where: short stacking energy: -314.263 Base-Backbone interact. energy: -1.973 local terms energy: -449.272054 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -105.781 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -69.405 tors. eta vs tors. theta energy: -55.923 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: 9, replica: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -770.242671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.242671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.242671 (E_RNA) where: Base-Base interactions energy: -407.685 where: short stacking energy: -227.165 Base-Backbone interact. energy: 0.465 local terms energy: -363.022573 where: bonds (distance) C4'-P energy: -110.504 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -82.943 flat angles P-C4'-P energy: -63.230 tors. eta vs tors. theta energy: -3.069 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: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -653.744032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.744032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.744032 (E_RNA) where: Base-Base interactions energy: -327.426 where: short stacking energy: -193.650 Base-Backbone interact. energy: -2.948 local terms energy: -323.370140 where: bonds (distance) C4'-P energy: -104.573 bonds (distance) P-C4' energy: -108.586 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -34.536 tors. eta vs tors. theta energy: 4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2320.820618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.820618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.820618 (E_RNA) where: Base-Base interactions energy: -1610.645 where: short stacking energy: -672.528 Base-Backbone interact. energy: -0.390 local terms energy: -709.786329 where: bonds (distance) C4'-P energy: -126.768 bonds (distance) P-C4' energy: -132.385 flat angles C4'-P-C4' energy: -159.166 flat angles P-C4'-P energy: -93.106 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: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2210.148492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.148492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.148492 (E_RNA) where: Base-Base interactions energy: -1523.017 where: short stacking energy: -644.384 Base-Backbone interact. energy: -1.038 local terms energy: -686.093562 where: bonds (distance) C4'-P energy: -126.718 bonds (distance) P-C4' energy: -126.337 flat angles C4'-P-C4' energy: -145.399 flat angles P-C4'-P energy: -98.349 tors. eta vs tors. theta energy: -189.291 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: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2071.869675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.869675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.869675 (E_RNA) where: Base-Base interactions energy: -1388.716 where: short stacking energy: -579.997 Base-Backbone interact. energy: -1.787 local terms energy: -681.366502 where: bonds (distance) C4'-P energy: -133.455 bonds (distance) P-C4' energy: -142.955 flat angles C4'-P-C4' energy: -138.288 flat angles P-C4'-P energy: -91.446 tors. eta vs tors. theta energy: -175.223 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: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2107.436684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.436684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.436684 (E_RNA) where: Base-Base interactions energy: -1452.474 where: short stacking energy: -613.941 Base-Backbone interact. energy: -4.965 local terms energy: -649.997594 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -115.389 flat angles C4'-P-C4' energy: -145.323 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -183.404 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: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1895.693398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.693398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.693398 (E_RNA) where: Base-Base interactions energy: -1303.197 where: short stacking energy: -516.479 Base-Backbone interact. energy: -1.641 local terms energy: -590.854737 where: bonds (distance) C4'-P energy: -128.919 bonds (distance) P-C4' energy: -127.071 flat angles C4'-P-C4' energy: -132.365 flat angles P-C4'-P energy: -68.529 tors. eta vs tors. theta energy: -133.970 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: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1773.963729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.963729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.963729 (E_RNA) where: Base-Base interactions energy: -1185.798 where: short stacking energy: -501.130 Base-Backbone interact. energy: -0.938 local terms energy: -587.227903 where: bonds (distance) C4'-P energy: -115.198 bonds (distance) P-C4' energy: -143.715 flat angles C4'-P-C4' energy: -123.572 flat angles P-C4'-P energy: -73.416 tors. eta vs tors. theta energy: -131.326 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: 7, replica: 2 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1476.267657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.267657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.267657 (E_RNA) where: Base-Base interactions energy: -946.060 where: short stacking energy: -424.414 Base-Backbone interact. energy: -2.047 local terms energy: -528.159959 where: bonds (distance) C4'-P energy: -120.341 bonds (distance) P-C4' energy: -113.087 flat angles C4'-P-C4' energy: -126.450 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: -100.178 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: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1085.034022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.034022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.034022 (E_RNA) where: Base-Base interactions energy: -643.923 where: short stacking energy: -323.303 Base-Backbone interact. energy: -1.508 local terms energy: -439.602133 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -109.035 flat angles C4'-P-C4' energy: -122.144 flat angles P-C4'-P energy: -55.482 tors. eta vs tors. theta energy: -54.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -760.692589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.692589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.692589 (E_RNA) where: Base-Base interactions energy: -367.247 where: short stacking energy: -219.189 Base-Backbone interact. energy: -1.818 local terms energy: -391.627314 where: bonds (distance) C4'-P energy: -100.736 bonds (distance) P-C4' energy: -103.657 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -18.956 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: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -600.280387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.280387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.280387 (E_RNA) where: Base-Base interactions energy: -266.217 where: short stacking energy: -154.444 Base-Backbone interact. energy: 2.695 local terms energy: -336.758705 where: bonds (distance) C4'-P energy: -86.304 bonds (distance) P-C4' energy: -115.655 flat angles C4'-P-C4' energy: -95.259 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: 12.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2327.471886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.471886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.471886 (E_RNA) where: Base-Base interactions energy: -1590.305 where: short stacking energy: -664.712 Base-Backbone interact. energy: -2.942 local terms energy: -734.225769 where: bonds (distance) C4'-P energy: -141.112 bonds (distance) P-C4' energy: -127.251 flat angles C4'-P-C4' energy: -157.730 flat angles P-C4'-P energy: -91.666 tors. eta vs tors. theta energy: -216.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2200.560897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.560897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.560897 (E_RNA) where: Base-Base interactions energy: -1499.564 where: short stacking energy: -637.211 Base-Backbone interact. energy: -5.377 local terms energy: -695.620032 where: bonds (distance) C4'-P energy: -129.068 bonds (distance) P-C4' energy: -136.635 flat angles C4'-P-C4' energy: -139.901 flat angles P-C4'-P energy: -106.558 tors. eta vs tors. theta energy: -183.458 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: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2113.162432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.162432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.162432 (E_RNA) where: Base-Base interactions energy: -1457.209 where: short stacking energy: -579.551 Base-Backbone interact. energy: -3.007 local terms energy: -652.946548 where: bonds (distance) C4'-P energy: -126.305 bonds (distance) P-C4' energy: -125.956 flat angles C4'-P-C4' energy: -129.109 flat angles P-C4'-P energy: -88.979 tors. eta vs tors. theta energy: -182.597 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: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2020.571535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.571535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.571535 (E_RNA) where: Base-Base interactions energy: -1348.173 where: short stacking energy: -586.983 Base-Backbone interact. energy: -3.763 local terms energy: -668.635976 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -120.813 flat angles C4'-P-C4' energy: -138.627 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -171.756 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: 5 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1913.562923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.562923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.562923 (E_RNA) where: Base-Base interactions energy: -1315.036 where: short stacking energy: -541.162 Base-Backbone interact. energy: -3.944 local terms energy: -594.583194 where: bonds (distance) C4'-P energy: -122.209 bonds (distance) P-C4' energy: -121.680 flat angles C4'-P-C4' energy: -122.926 flat angles P-C4'-P energy: -91.597 tors. eta vs tors. theta energy: -136.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1790.295176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.295176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.295176 (E_RNA) where: Base-Base interactions energy: -1222.765 where: short stacking energy: -532.463 Base-Backbone interact. energy: -0.145 local terms energy: -567.385387 where: bonds (distance) C4'-P energy: -98.402 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -138.432 flat angles P-C4'-P energy: -76.945 tors. eta vs tors. theta energy: -145.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1460.067964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.067964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.067964 (E_RNA) where: Base-Base interactions energy: -980.490 where: short stacking energy: -445.051 Base-Backbone interact. energy: -3.543 local terms energy: -476.035501 where: bonds (distance) C4'-P energy: -125.636 bonds (distance) P-C4' energy: -89.941 flat angles C4'-P-C4' energy: -109.433 flat angles P-C4'-P energy: -58.621 tors. eta vs tors. theta energy: -92.405 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: 8, replica: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1137.989193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.989193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.989193 (E_RNA) where: Base-Base interactions energy: -655.853 where: short stacking energy: -332.899 Base-Backbone interact. energy: -1.876 local terms energy: -480.260492 where: bonds (distance) C4'-P energy: -107.612 bonds (distance) P-C4' energy: -118.934 flat angles C4'-P-C4' energy: -114.785 flat angles P-C4'-P energy: -82.487 tors. eta vs tors. theta energy: -56.442 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: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -752.838092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.838092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.838092 (E_RNA) where: Base-Base interactions energy: -366.356 where: short stacking energy: -230.359 Base-Backbone interact. energy: -2.929 local terms energy: -383.552431 where: bonds (distance) C4'-P energy: -99.882 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -93.500 flat angles P-C4'-P energy: -71.509 tors. eta vs tors. theta energy: 3.181 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: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -633.580357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.580357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.580357 (E_RNA) where: Base-Base interactions energy: -287.868 where: short stacking energy: -175.101 Base-Backbone interact. energy: -2.958 local terms energy: -342.754531 where: bonds (distance) C4'-P energy: -89.423 bonds (distance) P-C4' energy: -109.700 flat angles C4'-P-C4' energy: -91.606 flat angles P-C4'-P energy: -51.691 tors. eta vs tors. theta energy: -0.335 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: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2334.074415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.074415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.074415 (E_RNA) where: Base-Base interactions energy: -1614.815 where: short stacking energy: -680.138 Base-Backbone interact. energy: -0.660 local terms energy: -718.599515 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -137.663 flat angles C4'-P-C4' energy: -153.751 flat angles P-C4'-P energy: -106.497 tors. eta vs tors. theta energy: -206.243 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: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2195.330940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.330940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.330940 (E_RNA) where: Base-Base interactions energy: -1486.057 where: short stacking energy: -610.906 Base-Backbone interact. energy: -1.600 local terms energy: -707.674011 where: bonds (distance) C4'-P energy: -135.448 bonds (distance) P-C4' energy: -145.868 flat angles C4'-P-C4' energy: -150.522 flat angles P-C4'-P energy: -97.856 tors. eta vs tors. theta energy: -177.980 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: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2157.575640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.575640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.575640 (E_RNA) where: Base-Base interactions energy: -1478.332 where: short stacking energy: -636.992 Base-Backbone interact. energy: -1.986 local terms energy: -677.257927 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -139.021 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -186.976 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: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1978.312888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.312888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.312888 (E_RNA) where: Base-Base interactions energy: -1314.483 where: short stacking energy: -571.284 Base-Backbone interact. energy: 0.625 local terms energy: -664.455301 where: bonds (distance) C4'-P energy: -122.990 bonds (distance) P-C4' energy: -141.079 flat angles C4'-P-C4' energy: -152.846 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -148.012 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: 5 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1885.823547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.823547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.823547 (E_RNA) where: Base-Base interactions energy: -1257.319 where: short stacking energy: -518.922 Base-Backbone interact. energy: -0.915 local terms energy: -627.589102 where: bonds (distance) C4'-P energy: -128.354 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -145.858 flat angles P-C4'-P energy: -91.023 tors. eta vs tors. theta energy: -135.628 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: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1852.207083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.207083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.207083 (E_RNA) where: Base-Base interactions energy: -1234.878 where: short stacking energy: -550.316 Base-Backbone interact. energy: -2.294 local terms energy: -615.035892 where: bonds (distance) C4'-P energy: -109.910 bonds (distance) P-C4' energy: -121.811 flat angles C4'-P-C4' energy: -126.418 flat angles P-C4'-P energy: -99.661 tors. eta vs tors. theta energy: -157.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1468.382732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.382732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.382732 (E_RNA) where: Base-Base interactions energy: -946.654 where: short stacking energy: -432.789 Base-Backbone interact. energy: 0.313 local terms energy: -522.042397 where: bonds (distance) C4'-P energy: -111.568 bonds (distance) P-C4' energy: -106.966 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -75.019 tors. eta vs tors. theta energy: -109.892 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: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1095.786492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.786492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.786492 (E_RNA) where: Base-Base interactions energy: -669.837 where: short stacking energy: -318.612 Base-Backbone interact. energy: -1.070 local terms energy: -424.879110 where: bonds (distance) C4'-P energy: -90.994 bonds (distance) P-C4' energy: -104.870 flat angles C4'-P-C4' energy: -116.413 flat angles P-C4'-P energy: -73.738 tors. eta vs tors. theta energy: -38.864 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: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -770.758984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.758984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.758984 (E_RNA) where: Base-Base interactions energy: -376.220 where: short stacking energy: -217.422 Base-Backbone interact. energy: 1.002 local terms energy: -395.540482 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -128.177 flat angles C4'-P-C4' energy: -98.479 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -0.940 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: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -627.308281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.308281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.308281 (E_RNA) where: Base-Base interactions energy: -264.054 where: short stacking energy: -177.684 Base-Backbone interact. energy: 4.384 local terms energy: -367.637926 where: bonds (distance) C4'-P energy: -111.117 bonds (distance) P-C4' energy: -110.728 flat angles C4'-P-C4' energy: -84.032 flat angles P-C4'-P energy: -57.614 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2356.542598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.542598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.542598 (E_RNA) where: Base-Base interactions energy: -1638.812 where: short stacking energy: -694.773 Base-Backbone interact. energy: -2.784 local terms energy: -714.946464 where: bonds (distance) C4'-P energy: -132.873 bonds (distance) P-C4' energy: -119.939 flat angles C4'-P-C4' energy: -156.743 flat angles P-C4'-P energy: -94.139 tors. eta vs tors. theta energy: -211.253 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: 202 Temperature: 0.950000 Total energy: -2228.304781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.304781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.304781 (E_RNA) where: Base-Base interactions energy: -1539.608 where: short stacking energy: -633.641 Base-Backbone interact. energy: -4.331 local terms energy: -684.366488 where: bonds (distance) C4'-P energy: -135.551 bonds (distance) P-C4' energy: -129.654 flat angles C4'-P-C4' energy: -142.936 flat angles P-C4'-P energy: -95.004 tors. eta vs tors. theta energy: -181.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2159.228201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.228201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.228201 (E_RNA) where: Base-Base interactions energy: -1485.414 where: short stacking energy: -604.666 Base-Backbone interact. energy: -1.864 local terms energy: -671.951069 where: bonds (distance) C4'-P energy: -113.074 bonds (distance) P-C4' energy: -125.980 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -115.217 tors. eta vs tors. theta energy: -178.502 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: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1922.620356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.620356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.620356 (E_RNA) where: Base-Base interactions energy: -1289.624 where: short stacking energy: -580.542 Base-Backbone interact. energy: -5.750 local terms energy: -627.246531 where: bonds (distance) C4'-P energy: -126.278 bonds (distance) P-C4' energy: -119.839 flat angles C4'-P-C4' energy: -134.656 flat angles P-C4'-P energy: -91.149 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: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1853.074293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.074293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.074293 (E_RNA) where: Base-Base interactions energy: -1255.561 where: short stacking energy: -543.900 Base-Backbone interact. energy: -0.475 local terms energy: -597.038873 where: bonds (distance) C4'-P energy: -114.099 bonds (distance) P-C4' energy: -114.028 flat angles C4'-P-C4' energy: -135.121 flat angles P-C4'-P energy: -80.933 tors. eta vs tors. theta energy: -152.858 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: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1837.979356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.979356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.979356 (E_RNA) where: Base-Base interactions energy: -1283.204 where: short stacking energy: -508.422 Base-Backbone interact. energy: -2.474 local terms energy: -552.301181 where: bonds (distance) C4'-P energy: -110.373 bonds (distance) P-C4' energy: -128.196 flat angles C4'-P-C4' energy: -119.041 flat angles P-C4'-P energy: -65.211 tors. eta vs tors. theta energy: -129.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1445.801738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.801738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.801738 (E_RNA) where: Base-Base interactions energy: -987.913 where: short stacking energy: -397.544 Base-Backbone interact. energy: 3.434 local terms energy: -461.323089 where: bonds (distance) C4'-P energy: -91.609 bonds (distance) P-C4' energy: -108.750 flat angles C4'-P-C4' energy: -120.163 flat angles P-C4'-P energy: -72.036 tors. eta vs tors. theta energy: -68.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1117.724574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.724574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.724574 (E_RNA) where: Base-Base interactions energy: -675.203 where: short stacking energy: -345.196 Base-Backbone interact. energy: -2.530 local terms energy: -439.991873 where: bonds (distance) C4'-P energy: -97.839 bonds (distance) P-C4' energy: -121.397 flat angles C4'-P-C4' energy: -114.289 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -53.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -773.277928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.277928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.277928 (E_RNA) where: Base-Base interactions energy: -378.495 where: short stacking energy: -249.418 Base-Backbone interact. energy: 0.856 local terms energy: -395.638980 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -119.123 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -9.652 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: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -618.744080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.744080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.744080 (E_RNA) where: Base-Base interactions energy: -276.725 where: short stacking energy: -183.011 Base-Backbone interact. energy: 1.263 local terms energy: -343.282061 where: bonds (distance) C4'-P energy: -107.424 bonds (distance) P-C4' energy: -104.056 flat angles C4'-P-C4' energy: -90.717 flat angles P-C4'-P energy: -56.401 tors. eta vs tors. theta energy: 15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2356.055318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.055318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.055318 (E_RNA) where: Base-Base interactions energy: -1639.373 where: short stacking energy: -700.366 Base-Backbone interact. energy: -1.355 local terms energy: -715.327486 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -135.835 flat angles C4'-P-C4' energy: -158.540 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -210.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2216.743839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.743839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.743839 (E_RNA) where: Base-Base interactions energy: -1517.268 where: short stacking energy: -633.328 Base-Backbone interact. energy: -6.526 local terms energy: -692.949845 where: bonds (distance) C4'-P energy: -134.626 bonds (distance) P-C4' energy: -132.246 flat angles C4'-P-C4' energy: -147.775 flat angles P-C4'-P energy: -92.722 tors. eta vs tors. theta energy: -185.581 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: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2106.406519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.406519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.406519 (E_RNA) where: Base-Base interactions energy: -1460.350 where: short stacking energy: -605.378 Base-Backbone interact. energy: -3.116 local terms energy: -642.940653 where: bonds (distance) C4'-P energy: -116.113 bonds (distance) P-C4' energy: -121.076 flat angles C4'-P-C4' energy: -141.882 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -175.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1916.311653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.311653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.311653 (E_RNA) where: Base-Base interactions energy: -1269.175 where: short stacking energy: -561.194 Base-Backbone interact. energy: -1.115 local terms energy: -646.021982 where: bonds (distance) C4'-P energy: -135.207 bonds (distance) P-C4' energy: -120.175 flat angles C4'-P-C4' energy: -139.517 flat angles P-C4'-P energy: -100.418 tors. eta vs tors. theta energy: -150.705 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: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1865.871305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.871305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.871305 (E_RNA) where: Base-Base interactions energy: -1282.267 where: short stacking energy: -572.840 Base-Backbone interact. energy: 0.590 local terms energy: -584.194144 where: bonds (distance) C4'-P energy: -96.558 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -142.313 flat angles P-C4'-P energy: -82.190 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: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1847.411568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.411568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.411568 (E_RNA) where: Base-Base interactions energy: -1308.013 where: short stacking energy: -540.019 Base-Backbone interact. energy: -5.299 local terms energy: -534.100332 where: bonds (distance) C4'-P energy: -102.476 bonds (distance) P-C4' energy: -108.888 flat angles C4'-P-C4' energy: -119.633 flat angles P-C4'-P energy: -72.501 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: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1500.122884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.122884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.122884 (E_RNA) where: Base-Base interactions energy: -980.759 where: short stacking energy: -404.517 Base-Backbone interact. energy: -2.631 local terms energy: -516.732715 where: bonds (distance) C4'-P energy: -100.719 bonds (distance) P-C4' energy: -113.959 flat angles C4'-P-C4' energy: -123.888 flat angles P-C4'-P energy: -79.265 tors. eta vs tors. theta energy: -98.902 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: 203 Temperature: 1.250000 Total energy: -1113.796607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.796607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.796607 (E_RNA) where: Base-Base interactions energy: -651.367 where: short stacking energy: -321.062 Base-Backbone interact. energy: 0.009 local terms energy: -462.439464 where: bonds (distance) C4'-P energy: -123.538 bonds (distance) P-C4' energy: -112.919 flat angles C4'-P-C4' energy: -103.518 flat angles P-C4'-P energy: -67.349 tors. eta vs tors. theta energy: -55.116 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: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -796.397393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.397393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.397393 (E_RNA) where: Base-Base interactions energy: -421.812 where: short stacking energy: -244.859 Base-Backbone interact. energy: 5.255 local terms energy: -379.839870 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -102.016 flat angles C4'-P-C4' energy: -102.781 flat angles P-C4'-P energy: -41.680 tors. eta vs tors. theta energy: -32.718 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: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -667.211252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.211252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.211252 (E_RNA) where: Base-Base interactions energy: -341.591 where: short stacking energy: -212.508 Base-Backbone interact. energy: 0.486 local terms energy: -326.106198 where: bonds (distance) C4'-P energy: -102.746 bonds (distance) P-C4' energy: -110.774 flat angles C4'-P-C4' energy: -86.775 flat angles P-C4'-P energy: -23.577 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2358.413027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.413027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.413027 (E_RNA) where: Base-Base interactions energy: -1633.580 where: short stacking energy: -690.241 Base-Backbone interact. energy: -3.261 local terms energy: -721.572044 where: bonds (distance) C4'-P energy: -127.820 bonds (distance) P-C4' energy: -141.005 flat angles C4'-P-C4' energy: -149.854 flat angles P-C4'-P energy: -102.280 tors. eta vs tors. theta energy: -200.612 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: 2, replica: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2223.600638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.600638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.600638 (E_RNA) where: Base-Base interactions energy: -1521.823 where: short stacking energy: -645.730 Base-Backbone interact. energy: -5.305 local terms energy: -696.472076 where: bonds (distance) C4'-P energy: -116.433 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -149.799 flat angles P-C4'-P energy: -102.199 tors. eta vs tors. theta energy: -190.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2150.683316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.683316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.683316 (E_RNA) where: Base-Base interactions energy: -1474.230 where: short stacking energy: -618.942 Base-Backbone interact. energy: -7.923 local terms energy: -668.530638 where: bonds (distance) C4'-P energy: -124.802 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -135.489 flat angles P-C4'-P energy: -105.532 tors. eta vs tors. theta energy: -178.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1944.387804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.387804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.387804 (E_RNA) where: Base-Base interactions energy: -1306.536 where: short stacking energy: -582.142 Base-Backbone interact. energy: -2.030 local terms energy: -635.822006 where: bonds (distance) C4'-P energy: -121.552 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -136.271 flat angles P-C4'-P energy: -91.368 tors. eta vs tors. theta energy: -170.120 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: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1910.649891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.649891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.649891 (E_RNA) where: Base-Base interactions energy: -1338.547 where: short stacking energy: -534.097 Base-Backbone interact. energy: -1.528 local terms energy: -570.575444 where: bonds (distance) C4'-P energy: -93.172 bonds (distance) P-C4' energy: -128.000 flat angles C4'-P-C4' energy: -131.676 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -140.222 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: 204 Temperature: 1.150000 Total energy: -1817.266900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.266900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.266900 (E_RNA) where: Base-Base interactions energy: -1236.739 where: short stacking energy: -541.175 Base-Backbone interact. energy: -2.861 local terms energy: -577.666816 where: bonds (distance) C4'-P energy: -99.575 bonds (distance) P-C4' energy: -129.798 flat angles C4'-P-C4' energy: -131.606 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -149.434 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: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1563.409872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.409872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.409872 (E_RNA) where: Base-Base interactions energy: -1048.382 where: short stacking energy: -442.863 Base-Backbone interact. energy: 1.285 local terms energy: -516.312094 where: bonds (distance) C4'-P energy: -111.196 bonds (distance) P-C4' energy: -127.072 flat angles C4'-P-C4' energy: -97.126 flat angles P-C4'-P energy: -78.934 tors. eta vs tors. theta energy: -101.983 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: 204 Temperature: 1.250000 Total energy: -1153.200951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.200951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.200951 (E_RNA) where: Base-Base interactions energy: -675.880 where: short stacking energy: -329.393 Base-Backbone interact. energy: -3.698 local terms energy: -473.622148 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -123.743 flat angles C4'-P-C4' energy: -114.750 flat angles P-C4'-P energy: -51.347 tors. eta vs tors. theta energy: -58.070 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: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -775.691454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.691454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.691454 (E_RNA) where: Base-Base interactions energy: -379.280 where: short stacking energy: -208.630 Base-Backbone interact. energy: -2.028 local terms energy: -394.383690 where: bonds (distance) C4'-P energy: -126.115 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -88.572 flat angles P-C4'-P energy: -64.027 tors. eta vs tors. theta energy: 0.240 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: 204 Temperature: 1.350000 Total energy: -711.368250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.368250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.368250 (E_RNA) where: Base-Base interactions energy: -355.388 where: short stacking energy: -197.181 Base-Backbone interact. energy: 1.149 local terms energy: -357.129187 where: bonds (distance) C4'-P energy: -114.501 bonds (distance) P-C4' energy: -100.824 flat angles C4'-P-C4' energy: -88.634 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -3.521 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: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2357.813023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.813023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.813023 (E_RNA) where: Base-Base interactions energy: -1636.301 where: short stacking energy: -696.503 Base-Backbone interact. energy: -3.454 local terms energy: -718.057886 where: bonds (distance) C4'-P energy: -141.187 bonds (distance) P-C4' energy: -124.018 flat angles C4'-P-C4' energy: -148.871 flat angles P-C4'-P energy: -99.521 tors. eta vs tors. theta energy: -204.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2249.517864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.517864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.517864 (E_RNA) where: Base-Base interactions energy: -1543.041 where: short stacking energy: -665.512 Base-Backbone interact. energy: -1.034 local terms energy: -705.442729 where: bonds (distance) C4'-P energy: -113.419 bonds (distance) P-C4' energy: -135.653 flat angles C4'-P-C4' energy: -146.393 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -203.389 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: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2167.852447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.852447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.852447 (E_RNA) where: Base-Base interactions energy: -1482.455 where: short stacking energy: -619.068 Base-Backbone interact. energy: -3.083 local terms energy: -682.314231 where: bonds (distance) C4'-P energy: -129.398 bonds (distance) P-C4' energy: -132.620 flat angles C4'-P-C4' energy: -147.429 flat angles P-C4'-P energy: -99.256 tors. eta vs tors. theta energy: -173.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2009.971783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.971783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.971783 (E_RNA) where: Base-Base interactions energy: -1432.905 where: short stacking energy: -552.575 Base-Backbone interact. energy: -1.452 local terms energy: -575.615287 where: bonds (distance) C4'-P energy: -107.271 bonds (distance) P-C4' energy: -112.231 flat angles C4'-P-C4' energy: -133.905 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -145.209 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: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1894.344148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.344148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.344148 (E_RNA) where: Base-Base interactions energy: -1244.339 where: short stacking energy: -552.314 Base-Backbone interact. energy: -1.354 local terms energy: -648.650889 where: bonds (distance) C4'-P energy: -118.273 bonds (distance) P-C4' energy: -129.716 flat angles C4'-P-C4' energy: -133.135 flat angles P-C4'-P energy: -102.022 tors. eta vs tors. theta energy: -165.505 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: 6, replica: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1798.465787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.465787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.465787 (E_RNA) where: Base-Base interactions energy: -1217.418 where: short stacking energy: -536.493 Base-Backbone interact. energy: -2.571 local terms energy: -578.476798 where: bonds (distance) C4'-P energy: -97.711 bonds (distance) P-C4' energy: -127.649 flat angles C4'-P-C4' energy: -114.225 flat angles P-C4'-P energy: -89.852 tors. eta vs tors. theta energy: -149.040 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: 2 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1530.351462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.351462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.351462 (E_RNA) where: Base-Base interactions energy: -970.932 where: short stacking energy: -431.213 Base-Backbone interact. energy: -0.293 local terms energy: -559.126900 where: bonds (distance) C4'-P energy: -113.089 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -121.631 flat angles P-C4'-P energy: -83.554 tors. eta vs tors. theta energy: -112.305 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: 6 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1191.338250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.338250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.338250 (E_RNA) where: Base-Base interactions energy: -713.500 where: short stacking energy: -374.504 Base-Backbone interact. energy: 0.069 local terms energy: -477.906895 where: bonds (distance) C4'-P energy: -92.562 bonds (distance) P-C4' energy: -122.004 flat angles C4'-P-C4' energy: -108.908 flat angles P-C4'-P energy: -84.825 tors. eta vs tors. theta energy: -69.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -743.708601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.708601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.708601 (E_RNA) where: Base-Base interactions energy: -374.557 where: short stacking energy: -226.021 Base-Backbone interact. energy: 4.564 local terms energy: -373.715800 where: bonds (distance) C4'-P energy: -102.863 bonds (distance) P-C4' energy: -98.351 flat angles C4'-P-C4' energy: -102.047 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: -17.889 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: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -640.668243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.668243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.668243 (E_RNA) where: Base-Base interactions energy: -259.038 where: short stacking energy: -178.059 Base-Backbone interact. energy: -5.233 local terms energy: -376.397669 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -116.674 flat angles C4'-P-C4' energy: -99.776 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: 5.773 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: 1, replica: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2349.295921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.295921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.295921 (E_RNA) where: Base-Base interactions energy: -1632.653 where: short stacking energy: -679.923 Base-Backbone interact. energy: -1.555 local terms energy: -715.087844 where: bonds (distance) C4'-P energy: -133.320 bonds (distance) P-C4' energy: -128.579 flat angles C4'-P-C4' energy: -152.268 flat angles P-C4'-P energy: -104.814 tors. eta vs tors. theta energy: -196.107 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: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2232.101175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.101175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.101175 (E_RNA) where: Base-Base interactions energy: -1506.830 where: short stacking energy: -618.023 Base-Backbone interact. energy: -3.757 local terms energy: -721.513982 where: bonds (distance) C4'-P energy: -151.852 bonds (distance) P-C4' energy: -134.449 flat angles C4'-P-C4' energy: -144.669 flat angles P-C4'-P energy: -105.557 tors. eta vs tors. theta energy: -184.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2187.282504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.282504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.282504 (E_RNA) where: Base-Base interactions energy: -1492.789 where: short stacking energy: -661.696 Base-Backbone interact. energy: -5.150 local terms energy: -689.342577 where: bonds (distance) C4'-P energy: -133.181 bonds (distance) P-C4' energy: -115.657 flat angles C4'-P-C4' energy: -157.295 flat angles P-C4'-P energy: -100.770 tors. eta vs tors. theta energy: -182.440 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: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2013.183132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.183132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.183132 (E_RNA) where: Base-Base interactions energy: -1380.930 where: short stacking energy: -539.900 Base-Backbone interact. energy: -4.309 local terms energy: -627.944111 where: bonds (distance) C4'-P energy: -123.071 bonds (distance) P-C4' energy: -134.150 flat angles C4'-P-C4' energy: -135.605 flat angles P-C4'-P energy: -90.556 tors. eta vs tors. theta energy: -144.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1886.755697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.755697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.755697 (E_RNA) where: Base-Base interactions energy: -1241.363 where: short stacking energy: -565.541 Base-Backbone interact. energy: -1.900 local terms energy: -643.492709 where: bonds (distance) C4'-P energy: -124.457 bonds (distance) P-C4' energy: -132.758 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -81.244 tors. eta vs tors. theta energy: -151.026 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: 206 Temperature: 1.150000 Total energy: -1794.618674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.618674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.618674 (E_RNA) where: Base-Base interactions energy: -1176.876 where: short stacking energy: -505.995 Base-Backbone interact. energy: -3.086 local terms energy: -614.656853 where: bonds (distance) C4'-P energy: -134.787 bonds (distance) P-C4' energy: -102.874 flat angles C4'-P-C4' energy: -135.899 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -150.594 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: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1557.190141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.190141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.190141 (E_RNA) where: Base-Base interactions energy: -1013.810 where: short stacking energy: -468.835 Base-Backbone interact. energy: -2.274 local terms energy: -541.106454 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -121.042 flat angles C4'-P-C4' energy: -127.078 flat angles P-C4'-P energy: -65.992 tors. eta vs tors. theta energy: -105.985 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: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1180.988610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.988610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.988610 (E_RNA) where: Base-Base interactions energy: -735.515 where: short stacking energy: -350.357 Base-Backbone interact. energy: -1.098 local terms energy: -444.375310 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -111.168 flat angles P-C4'-P energy: -79.742 tors. eta vs tors. theta energy: -59.193 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: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -764.601776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.601776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.601776 (E_RNA) where: Base-Base interactions energy: -375.649 where: short stacking energy: -219.716 Base-Backbone interact. energy: -0.726 local terms energy: -388.226866 where: bonds (distance) C4'-P energy: -107.792 bonds (distance) P-C4' energy: -106.236 flat angles C4'-P-C4' energy: -99.456 flat angles P-C4'-P energy: -58.297 tors. eta vs tors. theta energy: -16.446 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: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -597.392607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.392607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.392607 (E_RNA) where: Base-Base interactions energy: -225.450 where: short stacking energy: -159.658 Base-Backbone interact. energy: 1.222 local terms energy: -373.165161 where: bonds (distance) C4'-P energy: -90.291 bonds (distance) P-C4' energy: -117.136 flat angles C4'-P-C4' energy: -108.556 flat angles P-C4'-P energy: -70.832 tors. eta vs tors. theta energy: 13.650 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: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2365.135187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.135187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.135187 (E_RNA) where: Base-Base interactions energy: -1623.336 where: short stacking energy: -666.050 Base-Backbone interact. energy: -2.478 local terms energy: -739.320499 where: bonds (distance) C4'-P energy: -140.728 bonds (distance) P-C4' energy: -128.265 flat angles C4'-P-C4' energy: -151.249 flat angles P-C4'-P energy: -102.863 tors. eta vs tors. theta energy: -216.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2239.991053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.991053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.991053 (E_RNA) where: Base-Base interactions energy: -1554.585 where: short stacking energy: -644.590 Base-Backbone interact. energy: -1.887 local terms energy: -683.518762 where: bonds (distance) C4'-P energy: -137.198 bonds (distance) P-C4' energy: -139.794 flat angles C4'-P-C4' energy: -127.733 flat angles P-C4'-P energy: -90.230 tors. eta vs tors. theta energy: -188.564 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: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2175.351899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.351899 (E_RNA) where: Base-Base interactions energy: -1497.851 where: short stacking energy: -641.076 Base-Backbone interact. energy: 2.287 local terms energy: -679.788007 where: bonds (distance) C4'-P energy: -123.132 bonds (distance) P-C4' energy: -137.559 flat angles C4'-P-C4' energy: -138.299 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -185.742 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: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2031.089878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.089878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.089878 (E_RNA) where: Base-Base interactions energy: -1411.637 where: short stacking energy: -560.065 Base-Backbone interact. energy: -2.568 local terms energy: -616.885147 where: bonds (distance) C4'-P energy: -137.441 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -131.740 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: -139.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1864.096376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.096376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.096376 (E_RNA) where: Base-Base interactions energy: -1224.213 where: short stacking energy: -557.212 Base-Backbone interact. energy: -2.982 local terms energy: -636.901816 where: bonds (distance) C4'-P energy: -134.808 bonds (distance) P-C4' energy: -128.111 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -85.037 tors. eta vs tors. theta energy: -156.362 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: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1796.826283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.826283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.826283 (E_RNA) where: Base-Base interactions energy: -1203.178 where: short stacking energy: -530.637 Base-Backbone interact. energy: -4.730 local terms energy: -588.917754 where: bonds (distance) C4'-P energy: -114.966 bonds (distance) P-C4' energy: -108.885 flat angles C4'-P-C4' energy: -135.228 flat angles P-C4'-P energy: -82.050 tors. eta vs tors. theta energy: -147.787 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: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1545.865996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.865996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.865996 (E_RNA) where: Base-Base interactions energy: -1028.204 where: short stacking energy: -445.279 Base-Backbone interact. energy: -0.858 local terms energy: -516.803743 where: bonds (distance) C4'-P energy: -97.409 bonds (distance) P-C4' energy: -118.638 flat angles C4'-P-C4' energy: -125.009 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: -108.977 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: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1238.115850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.115850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.115850 (E_RNA) where: Base-Base interactions energy: -750.469 where: short stacking energy: -360.810 Base-Backbone interact. energy: -3.702 local terms energy: -483.944492 where: bonds (distance) C4'-P energy: -94.800 bonds (distance) P-C4' energy: -129.223 flat angles C4'-P-C4' energy: -113.820 flat angles P-C4'-P energy: -63.701 tors. eta vs tors. theta energy: -82.401 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: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -814.226432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.226432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.226432 (E_RNA) where: Base-Base interactions energy: -467.402 where: short stacking energy: -219.539 Base-Backbone interact. energy: 2.469 local terms energy: -349.292941 where: bonds (distance) C4'-P energy: -92.151 bonds (distance) P-C4' energy: -102.168 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -67.068 tors. eta vs tors. theta energy: 2.927 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: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -650.332638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.332638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.332638 (E_RNA) where: Base-Base interactions energy: -276.886 where: short stacking energy: -178.533 Base-Backbone interact. energy: -1.945 local terms energy: -371.501127 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -138.621 flat angles C4'-P-C4' energy: -87.410 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: 6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2366.736967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.736967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.736967 (E_RNA) where: Base-Base interactions energy: -1635.102 where: short stacking energy: -671.150 Base-Backbone interact. energy: -3.248 local terms energy: -728.386653 where: bonds (distance) C4'-P energy: -129.694 bonds (distance) P-C4' energy: -136.448 flat angles C4'-P-C4' energy: -149.469 flat angles P-C4'-P energy: -107.755 tors. eta vs tors. theta energy: -205.021 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: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2251.343660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.343660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.343660 (E_RNA) where: Base-Base interactions energy: -1563.783 where: short stacking energy: -649.339 Base-Backbone interact. energy: 1.536 local terms energy: -689.096585 where: bonds (distance) C4'-P energy: -134.407 bonds (distance) P-C4' energy: -121.018 flat angles C4'-P-C4' energy: -153.412 flat angles P-C4'-P energy: -93.469 tors. eta vs tors. theta energy: -186.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2203.862877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.862877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.862877 (E_RNA) where: Base-Base interactions energy: -1516.616 where: short stacking energy: -629.056 Base-Backbone interact. energy: -2.390 local terms energy: -684.857375 where: bonds (distance) C4'-P energy: -118.579 bonds (distance) P-C4' energy: -129.147 flat angles C4'-P-C4' energy: -143.760 flat angles P-C4'-P energy: -106.804 tors. eta vs tors. theta energy: -186.568 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: 4, replica: 5 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2007.154287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.154287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.154287 (E_RNA) where: Base-Base interactions energy: -1349.108 where: short stacking energy: -587.009 Base-Backbone interact. energy: 3.747 local terms energy: -661.793520 where: bonds (distance) C4'-P energy: -131.899 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -138.969 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -172.645 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: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1892.726582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.726582 (E_RNA) where: Base-Base interactions energy: -1254.552 where: short stacking energy: -573.138 Base-Backbone interact. energy: -1.043 local terms energy: -637.132104 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -126.255 flat angles C4'-P-C4' energy: -139.100 flat angles P-C4'-P energy: -88.147 tors. eta vs tors. theta energy: -163.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1833.678474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.678474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.678474 (E_RNA) where: Base-Base interactions energy: -1223.718 where: short stacking energy: -510.014 Base-Backbone interact. energy: -0.250 local terms energy: -609.710166 where: bonds (distance) C4'-P energy: -105.446 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -136.823 flat angles P-C4'-P energy: -91.905 tors. eta vs tors. theta energy: -147.657 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: 7, replica: 2 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1624.016558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.016558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.016558 (E_RNA) where: Base-Base interactions energy: -1070.102 where: short stacking energy: -485.106 Base-Backbone interact. energy: -3.259 local terms energy: -550.655415 where: bonds (distance) C4'-P energy: -104.047 bonds (distance) P-C4' energy: -114.644 flat angles C4'-P-C4' energy: -112.858 flat angles P-C4'-P energy: -77.751 tors. eta vs tors. theta energy: -141.355 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1311.235038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.235038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.235038 (E_RNA) where: Base-Base interactions energy: -822.310 where: short stacking energy: -372.751 Base-Backbone interact. energy: -3.216 local terms energy: -485.709121 where: bonds (distance) C4'-P energy: -105.006 bonds (distance) P-C4' energy: -125.839 flat angles C4'-P-C4' energy: -118.469 flat angles P-C4'-P energy: -67.234 tors. eta vs tors. theta energy: -69.160 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: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -835.467702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.467702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.467702 (E_RNA) where: Base-Base interactions energy: -462.319 where: short stacking energy: -254.191 Base-Backbone interact. energy: -2.622 local terms energy: -370.526876 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -105.806 flat angles C4'-P-C4' energy: -94.741 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -24.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -778.463333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.463333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.463333 (E_RNA) where: Base-Base interactions energy: -423.841 where: short stacking energy: -231.620 Base-Backbone interact. energy: -3.749 local terms energy: -350.873782 where: bonds (distance) C4'-P energy: -84.605 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -86.598 flat angles P-C4'-P energy: -57.052 tors. eta vs tors. theta energy: -7.291 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: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2362.477429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.477429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.477429 (E_RNA) where: Base-Base interactions energy: -1637.717 where: short stacking energy: -665.771 Base-Backbone interact. energy: -2.065 local terms energy: -722.695010 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -142.754 flat angles C4'-P-C4' energy: -153.933 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -200.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2247.954708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.954708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.954708 (E_RNA) where: Base-Base interactions energy: -1544.581 where: short stacking energy: -657.569 Base-Backbone interact. energy: -3.207 local terms energy: -700.167360 where: bonds (distance) C4'-P energy: -120.644 bonds (distance) P-C4' energy: -130.578 flat angles C4'-P-C4' energy: -145.167 flat angles P-C4'-P energy: -114.977 tors. eta vs tors. theta energy: -188.801 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: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2195.682297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.682297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.682297 (E_RNA) where: Base-Base interactions energy: -1509.039 where: short stacking energy: -616.240 Base-Backbone interact. energy: -0.286 local terms energy: -686.357421 where: bonds (distance) C4'-P energy: -133.527 bonds (distance) P-C4' energy: -121.220 flat angles C4'-P-C4' energy: -151.612 flat angles P-C4'-P energy: -103.546 tors. eta vs tors. theta energy: -176.452 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: 4, replica: 5 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1959.020199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.020199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.020199 (E_RNA) where: Base-Base interactions energy: -1375.702 where: short stacking energy: -553.883 Base-Backbone interact. energy: 1.728 local terms energy: -585.046556 where: bonds (distance) C4'-P energy: -113.071 bonds (distance) P-C4' energy: -115.695 flat angles C4'-P-C4' energy: -138.785 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: -137.451 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: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1876.722280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.722280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.722280 (E_RNA) where: Base-Base interactions energy: -1239.765 where: short stacking energy: -540.489 Base-Backbone interact. energy: 0.240 local terms energy: -637.196942 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -132.197 flat angles C4'-P-C4' energy: -147.652 flat angles P-C4'-P energy: -89.114 tors. eta vs tors. theta energy: -164.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1731.409268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.409268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.409268 (E_RNA) where: Base-Base interactions energy: -1158.614 where: short stacking energy: -515.557 Base-Backbone interact. energy: 2.099 local terms energy: -574.894037 where: bonds (distance) C4'-P energy: -111.472 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -129.470 flat angles P-C4'-P energy: -91.435 tors. eta vs tors. theta energy: -141.844 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: 7, replica: 2 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1584.962566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.962566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.962566 (E_RNA) where: Base-Base interactions energy: -1032.701 where: short stacking energy: -451.577 Base-Backbone interact. energy: -2.328 local terms energy: -549.933682 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -125.395 flat angles C4'-P-C4' energy: -120.168 flat angles P-C4'-P energy: -78.917 tors. eta vs tors. theta energy: -116.748 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: 8, replica: 6 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1351.660613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.660613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.660613 (E_RNA) where: Base-Base interactions energy: -890.984 where: short stacking energy: -401.291 Base-Backbone interact. energy: -2.594 local terms energy: -458.082878 where: bonds (distance) C4'-P energy: -97.920 bonds (distance) P-C4' energy: -112.079 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -56.925 tors. eta vs tors. theta energy: -76.784 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: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -775.483820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.483820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.483820 (E_RNA) where: Base-Base interactions energy: -369.317 where: short stacking energy: -209.053 Base-Backbone interact. energy: -1.632 local terms energy: -404.535070 where: bonds (distance) C4'-P energy: -102.428 bonds (distance) P-C4' energy: -120.896 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -59.437 tors. eta vs tors. theta energy: -11.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -661.141211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.141211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.141211 (E_RNA) where: Base-Base interactions energy: -322.427 where: short stacking energy: -189.992 Base-Backbone interact. energy: -3.460 local terms energy: -335.254075 where: bonds (distance) C4'-P energy: -98.078 bonds (distance) P-C4' energy: -124.878 flat angles C4'-P-C4' energy: -80.114 flat angles P-C4'-P energy: -49.322 tors. eta vs tors. theta energy: 17.138 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: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2368.011294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.011294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.011294 (E_RNA) where: Base-Base interactions energy: -1644.085 where: short stacking energy: -700.463 Base-Backbone interact. energy: -1.809 local terms energy: -722.117443 where: bonds (distance) C4'-P energy: -129.398 bonds (distance) P-C4' energy: -123.708 flat angles C4'-P-C4' energy: -152.294 flat angles P-C4'-P energy: -105.835 tors. eta vs tors. theta energy: -210.883 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: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2222.574715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.574715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.574715 (E_RNA) where: Base-Base interactions energy: -1527.069 where: short stacking energy: -628.981 Base-Backbone interact. energy: -4.674 local terms energy: -690.831736 where: bonds (distance) C4'-P energy: -132.529 bonds (distance) P-C4' energy: -134.031 flat angles C4'-P-C4' energy: -145.656 flat angles P-C4'-P energy: -93.094 tors. eta vs tors. theta energy: -185.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2144.892164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.892164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.892164 (E_RNA) where: Base-Base interactions energy: -1497.411 where: short stacking energy: -617.388 Base-Backbone interact. energy: -2.485 local terms energy: -644.995905 where: bonds (distance) C4'-P energy: -120.874 bonds (distance) P-C4' energy: -119.381 flat angles C4'-P-C4' energy: -131.948 flat angles P-C4'-P energy: -94.484 tors. eta vs tors. theta energy: -178.309 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: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2025.021475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.021475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.021475 (E_RNA) where: Base-Base interactions energy: -1412.770 where: short stacking energy: -581.931 Base-Backbone interact. energy: -0.685 local terms energy: -611.566953 where: bonds (distance) C4'-P energy: -117.573 bonds (distance) P-C4' energy: -107.736 flat angles C4'-P-C4' energy: -153.344 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: -155.726 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: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1834.462566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.462566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.462566 (E_RNA) where: Base-Base interactions energy: -1242.872 where: short stacking energy: -541.169 Base-Backbone interact. energy: -2.626 local terms energy: -588.964825 where: bonds (distance) C4'-P energy: -105.756 bonds (distance) P-C4' energy: -111.670 flat angles C4'-P-C4' energy: -129.940 flat angles P-C4'-P energy: -85.391 tors. eta vs tors. theta energy: -156.207 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: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1787.007037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.007037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.007037 (E_RNA) where: Base-Base interactions energy: -1190.424 where: short stacking energy: -525.691 Base-Backbone interact. energy: 0.751 local terms energy: -597.333952 where: bonds (distance) C4'-P energy: -119.789 bonds (distance) P-C4' energy: -111.991 flat angles C4'-P-C4' energy: -137.334 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -148.856 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: 7, replica: 2 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1616.402832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.402832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.402832 (E_RNA) where: Base-Base interactions energy: -1067.618 where: short stacking energy: -452.189 Base-Backbone interact. energy: 1.255 local terms energy: -550.039365 where: bonds (distance) C4'-P energy: -120.719 bonds (distance) P-C4' energy: -121.338 flat angles C4'-P-C4' energy: -126.042 flat angles P-C4'-P energy: -68.073 tors. eta vs tors. theta energy: -113.869 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: 6 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1411.389024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.389024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.389024 (E_RNA) where: Base-Base interactions energy: -911.438 where: short stacking energy: -426.339 Base-Backbone interact. energy: -1.393 local terms energy: -498.558267 where: bonds (distance) C4'-P energy: -103.068 bonds (distance) P-C4' energy: -116.543 flat angles C4'-P-C4' energy: -114.223 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -94.348 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: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -754.958786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.958786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.958786 (E_RNA) where: Base-Base interactions energy: -387.417 where: short stacking energy: -228.243 Base-Backbone interact. energy: 4.502 local terms energy: -372.044532 where: bonds (distance) C4'-P energy: -89.587 bonds (distance) P-C4' energy: -109.236 flat angles C4'-P-C4' energy: -95.199 flat angles P-C4'-P energy: -73.563 tors. eta vs tors. theta energy: -4.459 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: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -753.031689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.031689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.031689 (E_RNA) where: Base-Base interactions energy: -395.480 where: short stacking energy: -234.357 Base-Backbone interact. energy: 1.946 local terms energy: -359.497513 where: bonds (distance) C4'-P energy: -110.224 bonds (distance) P-C4' energy: -107.083 flat angles C4'-P-C4' energy: -86.577 flat angles P-C4'-P energy: -45.342 tors. eta vs tors. theta energy: -10.271 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: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2352.475971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.475971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.475971 (E_RNA) where: Base-Base interactions energy: -1648.221 where: short stacking energy: -716.903 Base-Backbone interact. energy: -2.598 local terms energy: -701.657373 where: bonds (distance) C4'-P energy: -126.907 bonds (distance) P-C4' energy: -120.523 flat angles C4'-P-C4' energy: -153.119 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -206.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2237.050836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.050836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.050836 (E_RNA) where: Base-Base interactions energy: -1550.209 where: short stacking energy: -641.132 Base-Backbone interact. energy: -3.468 local terms energy: -683.373970 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -131.143 flat angles C4'-P-C4' energy: -145.704 flat angles P-C4'-P energy: -96.342 tors. eta vs tors. theta energy: -191.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2133.509074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.509074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.509074 (E_RNA) where: Base-Base interactions energy: -1447.445 where: short stacking energy: -590.206 Base-Backbone interact. energy: -2.894 local terms energy: -683.170110 where: bonds (distance) C4'-P energy: -138.744 bonds (distance) P-C4' energy: -126.649 flat angles C4'-P-C4' energy: -145.388 flat angles P-C4'-P energy: -91.465 tors. eta vs tors. theta energy: -180.924 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: 4, replica: 5 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1987.875664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.875664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.875664 (E_RNA) where: Base-Base interactions energy: -1369.492 where: short stacking energy: -567.436 Base-Backbone interact. energy: -0.076 local terms energy: -618.307423 where: bonds (distance) C4'-P energy: -118.050 bonds (distance) P-C4' energy: -123.129 flat angles C4'-P-C4' energy: -134.899 flat angles P-C4'-P energy: -89.281 tors. eta vs tors. theta energy: -152.948 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: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1933.028801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.028801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.028801 (E_RNA) where: Base-Base interactions energy: -1281.929 where: short stacking energy: -575.378 Base-Backbone interact. energy: -3.860 local terms energy: -647.239832 where: bonds (distance) C4'-P energy: -123.918 bonds (distance) P-C4' energy: -122.265 flat angles C4'-P-C4' energy: -137.185 flat angles P-C4'-P energy: -92.948 tors. eta vs tors. theta energy: -170.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1817.059433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.059433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.059433 (E_RNA) where: Base-Base interactions energy: -1185.937 where: short stacking energy: -519.732 Base-Backbone interact. energy: -2.160 local terms energy: -628.961924 where: bonds (distance) C4'-P energy: -113.880 bonds (distance) P-C4' energy: -139.953 flat angles C4'-P-C4' energy: -137.890 flat angles P-C4'-P energy: -85.265 tors. eta vs tors. theta energy: -151.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1574.885091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.885091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.885091 (E_RNA) where: Base-Base interactions energy: -1020.167 where: short stacking energy: -468.514 Base-Backbone interact. energy: -2.481 local terms energy: -552.237090 where: bonds (distance) C4'-P energy: -122.252 bonds (distance) P-C4' energy: -124.537 flat angles C4'-P-C4' energy: -125.363 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -112.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1353.484454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.484454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.484454 (E_RNA) where: Base-Base interactions energy: -883.841 where: short stacking energy: -416.715 Base-Backbone interact. energy: 0.494 local terms energy: -470.136665 where: bonds (distance) C4'-P energy: -98.770 bonds (distance) P-C4' energy: -96.005 flat angles C4'-P-C4' energy: -128.875 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -84.393 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: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -788.260939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.260939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.260939 (E_RNA) where: Base-Base interactions energy: -408.565 where: short stacking energy: -254.503 Base-Backbone interact. energy: -1.380 local terms energy: -378.315447 where: bonds (distance) C4'-P energy: -104.085 bonds (distance) P-C4' energy: -91.128 flat angles C4'-P-C4' energy: -100.495 flat angles P-C4'-P energy: -48.527 tors. eta vs tors. theta energy: -34.080 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: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -702.841507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.841507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.841507 (E_RNA) where: Base-Base interactions energy: -358.161 where: short stacking energy: -183.827 Base-Backbone interact. energy: -0.708 local terms energy: -343.972820 where: bonds (distance) C4'-P energy: -107.502 bonds (distance) P-C4' energy: -98.532 flat angles C4'-P-C4' energy: -103.645 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: 19.592 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: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2340.443373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.443373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.443373 (E_RNA) where: Base-Base interactions energy: -1589.275 where: short stacking energy: -672.859 Base-Backbone interact. energy: -3.851 local terms energy: -747.317447 where: bonds (distance) C4'-P energy: -143.424 bonds (distance) P-C4' energy: -127.359 flat angles C4'-P-C4' energy: -157.548 flat angles P-C4'-P energy: -112.886 tors. eta vs tors. theta energy: -206.100 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: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2250.156244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.156244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.156244 (E_RNA) where: Base-Base interactions energy: -1569.377 where: short stacking energy: -653.777 Base-Backbone interact. energy: -1.962 local terms energy: -678.816696 where: bonds (distance) C4'-P energy: -113.510 bonds (distance) P-C4' energy: -121.562 flat angles C4'-P-C4' energy: -149.036 flat angles P-C4'-P energy: -95.516 tors. eta vs tors. theta energy: -199.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2166.676028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.676028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.676028 (E_RNA) where: Base-Base interactions energy: -1499.951 where: short stacking energy: -612.408 Base-Backbone interact. energy: 1.699 local terms energy: -668.423541 where: bonds (distance) C4'-P energy: -126.374 bonds (distance) P-C4' energy: -133.534 flat angles C4'-P-C4' energy: -129.564 flat angles P-C4'-P energy: -103.946 tors. eta vs tors. theta energy: -175.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2014.471664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.471664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.471664 (E_RNA) where: Base-Base interactions energy: -1387.788 where: short stacking energy: -557.437 Base-Backbone interact. energy: 2.937 local terms energy: -629.620282 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -129.922 flat angles C4'-P-C4' energy: -141.984 flat angles P-C4'-P energy: -85.843 tors. eta vs tors. theta energy: -153.321 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: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1941.294758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.294758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.294758 (E_RNA) where: Base-Base interactions energy: -1286.448 where: short stacking energy: -587.850 Base-Backbone interact. energy: 2.272 local terms energy: -657.118826 where: bonds (distance) C4'-P energy: -117.356 bonds (distance) P-C4' energy: -123.344 flat angles C4'-P-C4' energy: -138.223 flat angles P-C4'-P energy: -100.359 tors. eta vs tors. theta energy: -177.837 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: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1694.772749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.772749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.772749 (E_RNA) where: Base-Base interactions energy: -1149.982 where: short stacking energy: -481.486 Base-Backbone interact. energy: 2.098 local terms energy: -546.888178 where: bonds (distance) C4'-P energy: -107.250 bonds (distance) P-C4' energy: -129.367 flat angles C4'-P-C4' energy: -120.081 flat angles P-C4'-P energy: -67.427 tors. eta vs tors. theta energy: -122.764 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: 7, replica: 2 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1529.831768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.831768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.831768 (E_RNA) where: Base-Base interactions energy: -1013.643 where: short stacking energy: -459.500 Base-Backbone interact. energy: -3.131 local terms energy: -513.057442 where: bonds (distance) C4'-P energy: -103.271 bonds (distance) P-C4' energy: -117.696 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -69.478 tors. eta vs tors. theta energy: -100.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1244.682968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.682968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.682968 (E_RNA) where: Base-Base interactions energy: -794.622 where: short stacking energy: -377.676 Base-Backbone interact. energy: -0.255 local terms energy: -449.805718 where: bonds (distance) C4'-P energy: -102.079 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -120.301 flat angles P-C4'-P energy: -52.833 tors. eta vs tors. theta energy: -70.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -858.390915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.390915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.390915 (E_RNA) where: Base-Base interactions energy: -462.930 where: short stacking energy: -218.729 Base-Backbone interact. energy: 2.389 local terms energy: -397.849447 where: bonds (distance) C4'-P energy: -82.890 bonds (distance) P-C4' energy: -124.000 flat angles C4'-P-C4' energy: -90.645 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -16.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -721.457411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.457411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.457411 (E_RNA) where: Base-Base interactions energy: -356.361 where: short stacking energy: -175.876 Base-Backbone interact. energy: 1.309 local terms energy: -366.405647 where: bonds (distance) C4'-P energy: -96.579 bonds (distance) P-C4' energy: -112.111 flat angles C4'-P-C4' energy: -103.851 flat angles P-C4'-P energy: -62.337 tors. eta vs tors. theta energy: 8.472 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: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2348.178368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.178368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.178368 (E_RNA) where: Base-Base interactions energy: -1637.426 where: short stacking energy: -695.364 Base-Backbone interact. energy: 0.192 local terms energy: -710.944658 where: bonds (distance) C4'-P energy: -132.202 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -165.002 flat angles P-C4'-P energy: -78.882 tors. eta vs tors. theta energy: -199.936 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: 2, replica: 3 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2246.148960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.148960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.148960 (E_RNA) where: Base-Base interactions energy: -1548.090 where: short stacking energy: -623.585 Base-Backbone interact. energy: -3.226 local terms energy: -694.832569 where: bonds (distance) C4'-P energy: -121.072 bonds (distance) P-C4' energy: -142.025 flat angles C4'-P-C4' energy: -147.403 flat angles P-C4'-P energy: -96.636 tors. eta vs tors. theta energy: -187.697 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: 3, replica: 10 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2180.130160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.130160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.130160 (E_RNA) where: Base-Base interactions energy: -1505.449 where: short stacking energy: -645.377 Base-Backbone interact. energy: 0.544 local terms energy: -675.225406 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -133.994 flat angles C4'-P-C4' energy: -140.506 flat angles P-C4'-P energy: -89.145 tors. eta vs tors. theta energy: -192.257 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: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2041.064640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.064640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.064640 (E_RNA) where: Base-Base interactions energy: -1407.117 where: short stacking energy: -545.866 Base-Backbone interact. energy: -0.577 local terms energy: -633.369927 where: bonds (distance) C4'-P energy: -124.374 bonds (distance) P-C4' energy: -126.169 flat angles C4'-P-C4' energy: -151.909 flat angles P-C4'-P energy: -88.341 tors. eta vs tors. theta energy: -142.577 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: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1952.457250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.457250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.457250 (E_RNA) where: Base-Base interactions energy: -1359.015 where: short stacking energy: -587.646 Base-Backbone interact. energy: 1.716 local terms energy: -595.157953 where: bonds (distance) C4'-P energy: -108.194 bonds (distance) P-C4' energy: -121.501 flat angles C4'-P-C4' energy: -127.073 flat angles P-C4'-P energy: -69.136 tors. eta vs tors. theta energy: -169.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1766.806267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.806267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.806267 (E_RNA) where: Base-Base interactions energy: -1177.507 where: short stacking energy: -524.458 Base-Backbone interact. energy: -2.905 local terms energy: -586.394044 where: bonds (distance) C4'-P energy: -105.667 bonds (distance) P-C4' energy: -125.671 flat angles C4'-P-C4' energy: -127.655 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -130.536 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: 7, replica: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1560.542822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.542822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.542822 (E_RNA) where: Base-Base interactions energy: -1018.450 where: short stacking energy: -456.581 Base-Backbone interact. energy: -2.807 local terms energy: -539.285577 where: bonds (distance) C4'-P energy: -116.501 bonds (distance) P-C4' energy: -110.199 flat angles C4'-P-C4' energy: -124.477 flat angles P-C4'-P energy: -78.811 tors. eta vs tors. theta energy: -109.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1276.035524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.035524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.035524 (E_RNA) where: Base-Base interactions energy: -815.019 where: short stacking energy: -394.079 Base-Backbone interact. energy: 0.126 local terms energy: -461.142245 where: bonds (distance) C4'-P energy: -105.037 bonds (distance) P-C4' energy: -114.822 flat angles C4'-P-C4' energy: -106.484 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -80.347 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: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -885.118958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.118958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.118958 (E_RNA) where: Base-Base interactions energy: -441.787 where: short stacking energy: -253.540 Base-Backbone interact. energy: 0.433 local terms energy: -443.764985 where: bonds (distance) C4'-P energy: -124.890 bonds (distance) P-C4' energy: -122.364 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -67.344 tors. eta vs tors. theta energy: -19.459 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: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -741.235175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.235175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.235175 (E_RNA) where: Base-Base interactions energy: -381.772 where: short stacking energy: -219.944 Base-Backbone interact. energy: 1.804 local terms energy: -361.266377 where: bonds (distance) C4'-P energy: -121.417 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -66.777 flat angles P-C4'-P energy: -55.794 tors. eta vs tors. theta energy: 0.211 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: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2364.155090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.155090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.155090 (E_RNA) where: Base-Base interactions energy: -1610.639 where: short stacking energy: -670.760 Base-Backbone interact. energy: -1.162 local terms energy: -752.354116 where: bonds (distance) C4'-P energy: -139.493 bonds (distance) P-C4' energy: -142.554 flat angles C4'-P-C4' energy: -154.662 flat angles P-C4'-P energy: -106.888 tors. eta vs tors. theta energy: -208.756 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: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2250.387684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.387684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.387684 (E_RNA) where: Base-Base interactions energy: -1554.220 where: short stacking energy: -647.436 Base-Backbone interact. energy: 1.904 local terms energy: -698.071975 where: bonds (distance) C4'-P energy: -129.009 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -147.441 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -197.899 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: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2160.661446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.661446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.661446 (E_RNA) where: Base-Base interactions energy: -1488.208 where: short stacking energy: -622.252 Base-Backbone interact. energy: 0.445 local terms energy: -672.899206 where: bonds (distance) C4'-P energy: -114.763 bonds (distance) P-C4' energy: -132.173 flat angles C4'-P-C4' energy: -136.981 flat angles P-C4'-P energy: -104.116 tors. eta vs tors. theta energy: -184.866 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: 5 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2065.562158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.562158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.562158 (E_RNA) where: Base-Base interactions energy: -1450.165 where: short stacking energy: -599.525 Base-Backbone interact. energy: -3.015 local terms energy: -612.382765 where: bonds (distance) C4'-P energy: -105.262 bonds (distance) P-C4' energy: -122.773 flat angles C4'-P-C4' energy: -137.844 flat angles P-C4'-P energy: -96.995 tors. eta vs tors. theta energy: -149.509 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: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1976.414123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.414123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.414123 (E_RNA) where: Base-Base interactions energy: -1342.496 where: short stacking energy: -593.369 Base-Backbone interact. energy: -3.648 local terms energy: -630.270533 where: bonds (distance) C4'-P energy: -119.418 bonds (distance) P-C4' energy: -123.630 flat angles C4'-P-C4' energy: -127.648 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -177.592 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: 214 Temperature: 1.150000 Total energy: -1765.676818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.676818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.676818 (E_RNA) where: Base-Base interactions energy: -1153.026 where: short stacking energy: -518.844 Base-Backbone interact. energy: -5.569 local terms energy: -607.082099 where: bonds (distance) C4'-P energy: -131.578 bonds (distance) P-C4' energy: -107.369 flat angles C4'-P-C4' energy: -134.002 flat angles P-C4'-P energy: -89.960 tors. eta vs tors. theta energy: -144.173 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: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1526.111430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.111430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.111430 (E_RNA) where: Base-Base interactions energy: -970.428 where: short stacking energy: -434.557 Base-Backbone interact. energy: -2.327 local terms energy: -553.356520 where: bonds (distance) C4'-P energy: -117.540 bonds (distance) P-C4' energy: -136.402 flat angles C4'-P-C4' energy: -112.235 flat angles P-C4'-P energy: -79.929 tors. eta vs tors. theta energy: -107.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1207.264394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.264394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.264394 (E_RNA) where: Base-Base interactions energy: -747.677 where: short stacking energy: -332.534 Base-Backbone interact. energy: -0.646 local terms energy: -458.941739 where: bonds (distance) C4'-P energy: -100.378 bonds (distance) P-C4' energy: -116.415 flat angles C4'-P-C4' energy: -108.929 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -59.874 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -860.244937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.244937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.244937 (E_RNA) where: Base-Base interactions energy: -469.751 where: short stacking energy: -258.893 Base-Backbone interact. energy: -0.357 local terms energy: -390.136321 where: bonds (distance) C4'-P energy: -106.066 bonds (distance) P-C4' energy: -130.440 flat angles C4'-P-C4' energy: -95.932 flat angles P-C4'-P energy: -41.643 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -666.303597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.303597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.303597 (E_RNA) where: Base-Base interactions energy: -319.033 where: short stacking energy: -200.753 Base-Backbone interact. energy: -2.100 local terms energy: -345.171112 where: bonds (distance) C4'-P energy: -92.694 bonds (distance) P-C4' energy: -102.843 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -5.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2363.374644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.374644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.374644 (E_RNA) where: Base-Base interactions energy: -1613.634 where: short stacking energy: -681.418 Base-Backbone interact. energy: -2.336 local terms energy: -747.405249 where: bonds (distance) C4'-P energy: -141.498 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -108.626 tors. eta vs tors. theta energy: -210.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2224.346435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.346435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.346435 (E_RNA) where: Base-Base interactions energy: -1534.092 where: short stacking energy: -635.268 Base-Backbone interact. energy: -3.705 local terms energy: -686.548805 where: bonds (distance) C4'-P energy: -118.830 bonds (distance) P-C4' energy: -129.457 flat angles C4'-P-C4' energy: -159.570 flat angles P-C4'-P energy: -97.417 tors. eta vs tors. theta energy: -181.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2186.800473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.800473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.800473 (E_RNA) where: Base-Base interactions energy: -1516.149 where: short stacking energy: -645.873 Base-Backbone interact. energy: -1.436 local terms energy: -669.215527 where: bonds (distance) C4'-P energy: -131.296 bonds (distance) P-C4' energy: -107.338 flat angles C4'-P-C4' energy: -137.023 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -189.467 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: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2029.485758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.485758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.485758 (E_RNA) where: Base-Base interactions energy: -1417.222 where: short stacking energy: -553.763 Base-Backbone interact. energy: -1.894 local terms energy: -610.369962 where: bonds (distance) C4'-P energy: -116.425 bonds (distance) P-C4' energy: -117.539 flat angles C4'-P-C4' energy: -134.043 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -144.486 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: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1946.247104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.247104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.247104 (E_RNA) where: Base-Base interactions energy: -1303.414 where: short stacking energy: -582.465 Base-Backbone interact. energy: -6.014 local terms energy: -636.819274 where: bonds (distance) C4'-P energy: -121.179 bonds (distance) P-C4' energy: -114.717 flat angles C4'-P-C4' energy: -136.512 flat angles P-C4'-P energy: -88.387 tors. eta vs tors. theta energy: -176.025 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: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1769.309485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.309485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.309485 (E_RNA) where: Base-Base interactions energy: -1198.025 where: short stacking energy: -535.855 Base-Backbone interact. energy: -1.262 local terms energy: -570.023079 where: bonds (distance) C4'-P energy: -105.395 bonds (distance) P-C4' energy: -98.946 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -152.652 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: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1538.526342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.526342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.526342 (E_RNA) where: Base-Base interactions energy: -993.048 where: short stacking energy: -459.858 Base-Backbone interact. energy: -1.106 local terms energy: -544.372626 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -113.201 flat angles C4'-P-C4' energy: -117.402 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -120.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1226.391873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.391873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.391873 (E_RNA) where: Base-Base interactions energy: -761.800 where: short stacking energy: -357.137 Base-Backbone interact. energy: -3.357 local terms energy: -461.235757 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -120.996 flat angles C4'-P-C4' energy: -95.780 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -63.946 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: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -834.606931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.606931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.606931 (E_RNA) where: Base-Base interactions energy: -425.722 where: short stacking energy: -244.906 Base-Backbone interact. energy: -1.147 local terms energy: -407.738095 where: bonds (distance) C4'-P energy: -94.558 bonds (distance) P-C4' energy: -116.708 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -29.717 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: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -704.710714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.710714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.710714 (E_RNA) where: Base-Base interactions energy: -330.262 where: short stacking energy: -220.359 Base-Backbone interact. energy: -2.047 local terms energy: -372.401937 where: bonds (distance) C4'-P energy: -110.246 bonds (distance) P-C4' energy: -109.175 flat angles C4'-P-C4' energy: -85.876 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -2.628 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: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2345.363743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.363743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.363743 (E_RNA) where: Base-Base interactions energy: -1611.397 where: short stacking energy: -690.998 Base-Backbone interact. energy: -2.406 local terms energy: -731.560748 where: bonds (distance) C4'-P energy: -140.028 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -149.319 flat angles P-C4'-P energy: -109.137 tors. eta vs tors. theta energy: -201.929 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: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2231.784269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.784269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.784269 (E_RNA) where: Base-Base interactions energy: -1542.028 where: short stacking energy: -633.903 Base-Backbone interact. energy: 3.475 local terms energy: -693.231355 where: bonds (distance) C4'-P energy: -135.717 bonds (distance) P-C4' energy: -131.646 flat angles C4'-P-C4' energy: -140.176 flat angles P-C4'-P energy: -98.394 tors. eta vs tors. theta energy: -187.299 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: 216 Temperature: 1.000000 Total energy: -2140.085168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.085168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.085168 (E_RNA) where: Base-Base interactions energy: -1485.161 where: short stacking energy: -619.917 Base-Backbone interact. energy: -3.377 local terms energy: -651.546590 where: bonds (distance) C4'-P energy: -137.969 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -140.218 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -172.590 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: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1969.969208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.969208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.969208 (E_RNA) where: Base-Base interactions energy: -1356.179 where: short stacking energy: -538.103 Base-Backbone interact. energy: 1.117 local terms energy: -614.906889 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -138.833 flat angles P-C4'-P energy: -91.473 tors. eta vs tors. theta energy: -142.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1926.784319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.784319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.784319 (E_RNA) where: Base-Base interactions energy: -1275.224 where: short stacking energy: -562.810 Base-Backbone interact. energy: -3.042 local terms energy: -648.517746 where: bonds (distance) C4'-P energy: -129.821 bonds (distance) P-C4' energy: -138.746 flat angles C4'-P-C4' energy: -134.569 flat angles P-C4'-P energy: -84.738 tors. eta vs tors. theta energy: -160.644 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: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1736.998930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.998930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.998930 (E_RNA) where: Base-Base interactions energy: -1171.828 where: short stacking energy: -517.328 Base-Backbone interact. energy: -4.526 local terms energy: -560.645058 where: bonds (distance) C4'-P energy: -105.910 bonds (distance) P-C4' energy: -110.143 flat angles C4'-P-C4' energy: -129.950 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: -143.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1576.142680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.142680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.142680 (E_RNA) where: Base-Base interactions energy: -975.652 where: short stacking energy: -464.455 Base-Backbone interact. energy: -2.467 local terms energy: -598.023640 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -124.049 flat angles C4'-P-C4' energy: -145.401 flat angles P-C4'-P energy: -88.728 tors. eta vs tors. theta energy: -121.380 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: 8, replica: 6 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1289.319178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.319178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.319178 (E_RNA) where: Base-Base interactions energy: -764.061 where: short stacking energy: -358.486 Base-Backbone interact. energy: -1.138 local terms energy: -524.120776 where: bonds (distance) C4'-P energy: -129.577 bonds (distance) P-C4' energy: -126.087 flat angles C4'-P-C4' energy: -119.522 flat angles P-C4'-P energy: -70.551 tors. eta vs tors. theta energy: -78.383 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: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -914.139600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.139600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.139600 (E_RNA) where: Base-Base interactions energy: -516.941 where: short stacking energy: -242.543 Base-Backbone interact. energy: -1.971 local terms energy: -395.227190 where: bonds (distance) C4'-P energy: -102.395 bonds (distance) P-C4' energy: -107.130 flat angles C4'-P-C4' energy: -106.517 flat angles P-C4'-P energy: -67.394 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -725.472806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.472806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.472806 (E_RNA) where: Base-Base interactions energy: -344.750 where: short stacking energy: -189.322 Base-Backbone interact. energy: -2.908 local terms energy: -377.814241 where: bonds (distance) C4'-P energy: -102.371 bonds (distance) P-C4' energy: -129.463 flat angles C4'-P-C4' energy: -100.447 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: 3.811 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: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2355.292615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.292615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.292615 (E_RNA) where: Base-Base interactions energy: -1609.509 where: short stacking energy: -691.276 Base-Backbone interact. energy: -1.609 local terms energy: -744.174130 where: bonds (distance) C4'-P energy: -138.219 bonds (distance) P-C4' energy: -136.169 flat angles C4'-P-C4' energy: -154.340 flat angles P-C4'-P energy: -111.716 tors. eta vs tors. theta energy: -203.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2271.484007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.484007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.484007 (E_RNA) where: Base-Base interactions energy: -1571.573 where: short stacking energy: -653.420 Base-Backbone interact. energy: -2.399 local terms energy: -697.512233 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -132.268 flat angles C4'-P-C4' energy: -145.092 flat angles P-C4'-P energy: -100.632 tors. eta vs tors. theta energy: -186.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2129.187119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.187119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.187119 (E_RNA) where: Base-Base interactions energy: -1445.677 where: short stacking energy: -605.447 Base-Backbone interact. energy: -2.825 local terms energy: -680.684644 where: bonds (distance) C4'-P energy: -128.095 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -141.977 flat angles P-C4'-P energy: -107.477 tors. eta vs tors. theta energy: -184.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1970.456100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.456100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.456100 (E_RNA) where: Base-Base interactions energy: -1352.981 where: short stacking energy: -540.784 Base-Backbone interact. energy: -1.528 local terms energy: -615.946974 where: bonds (distance) C4'-P energy: -113.738 bonds (distance) P-C4' energy: -128.404 flat angles C4'-P-C4' energy: -133.796 flat angles P-C4'-P energy: -93.814 tors. eta vs tors. theta energy: -146.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1921.828654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.828654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.828654 (E_RNA) where: Base-Base interactions energy: -1291.566 where: short stacking energy: -567.353 Base-Backbone interact. energy: 0.608 local terms energy: -630.870496 where: bonds (distance) C4'-P energy: -117.832 bonds (distance) P-C4' energy: -112.132 flat angles C4'-P-C4' energy: -146.110 flat angles P-C4'-P energy: -80.325 tors. eta vs tors. theta energy: -174.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1658.123513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.123513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.123513 (E_RNA) where: Base-Base interactions energy: -1127.701 where: short stacking energy: -480.080 Base-Backbone interact. energy: -0.447 local terms energy: -529.975001 where: bonds (distance) C4'-P energy: -113.394 bonds (distance) P-C4' energy: -102.907 flat angles C4'-P-C4' energy: -112.733 flat angles P-C4'-P energy: -77.591 tors. eta vs tors. theta energy: -123.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1579.136746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.136746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.136746 (E_RNA) where: Base-Base interactions energy: -1023.438 where: short stacking energy: -450.849 Base-Backbone interact. energy: -0.893 local terms energy: -554.805353 where: bonds (distance) C4'-P energy: -104.669 bonds (distance) P-C4' energy: -125.351 flat angles C4'-P-C4' energy: -118.259 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -123.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1332.488673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.488673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.488673 (E_RNA) where: Base-Base interactions energy: -838.138 where: short stacking energy: -386.796 Base-Backbone interact. energy: 2.112 local terms energy: -496.463293 where: bonds (distance) C4'-P energy: -111.398 bonds (distance) P-C4' energy: -117.185 flat angles C4'-P-C4' energy: -105.275 flat angles P-C4'-P energy: -78.338 tors. eta vs tors. theta energy: -84.268 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: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -888.780860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.780860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.780860 (E_RNA) where: Base-Base interactions energy: -489.187 where: short stacking energy: -254.277 Base-Backbone interact. energy: -0.406 local terms energy: -399.188147 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -106.568 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -69.434 tors. eta vs tors. theta energy: -31.594 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: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -698.913212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.913212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.913212 (E_RNA) where: Base-Base interactions energy: -328.607 where: short stacking energy: -205.220 Base-Backbone interact. energy: 3.588 local terms energy: -373.893816 where: bonds (distance) C4'-P energy: -108.542 bonds (distance) P-C4' energy: -112.137 flat angles C4'-P-C4' energy: -101.813 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -1.680 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: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2349.413515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.413515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.413515 (E_RNA) where: Base-Base interactions energy: -1623.853 where: short stacking energy: -714.021 Base-Backbone interact. energy: -3.342 local terms energy: -722.218649 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -123.506 flat angles C4'-P-C4' energy: -153.645 flat angles P-C4'-P energy: -106.213 tors. eta vs tors. theta energy: -209.984 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: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2281.805416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.805416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.805416 (E_RNA) where: Base-Base interactions energy: -1609.227 where: short stacking energy: -663.889 Base-Backbone interact. energy: -2.263 local terms energy: -670.314975 where: bonds (distance) C4'-P energy: -127.723 bonds (distance) P-C4' energy: -120.116 flat angles C4'-P-C4' energy: -138.731 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -190.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2139.209661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.209661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.209661 (E_RNA) where: Base-Base interactions energy: -1460.797 where: short stacking energy: -622.243 Base-Backbone interact. energy: -3.738 local terms energy: -674.674733 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -126.537 flat angles C4'-P-C4' energy: -150.635 flat angles P-C4'-P energy: -97.628 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: 4, replica: 5 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1988.892011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.892011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.892011 (E_RNA) where: Base-Base interactions energy: -1409.664 where: short stacking energy: -587.667 Base-Backbone interact. energy: -0.763 local terms energy: -578.464641 where: bonds (distance) C4'-P energy: -86.567 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -140.473 flat angles P-C4'-P energy: -88.501 tors. eta vs tors. theta energy: -142.730 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: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1988.322557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.322557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.322557 (E_RNA) where: Base-Base interactions energy: -1363.608 where: short stacking energy: -608.395 Base-Backbone interact. energy: -0.665 local terms energy: -624.049361 where: bonds (distance) C4'-P energy: -114.679 bonds (distance) P-C4' energy: -115.572 flat angles C4'-P-C4' energy: -135.386 flat angles P-C4'-P energy: -78.413 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: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1674.952696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.952696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.952696 (E_RNA) where: Base-Base interactions energy: -1106.388 where: short stacking energy: -503.821 Base-Backbone interact. energy: -2.285 local terms energy: -566.280622 where: bonds (distance) C4'-P energy: -110.778 bonds (distance) P-C4' energy: -104.626 flat angles C4'-P-C4' energy: -133.380 flat angles P-C4'-P energy: -79.705 tors. eta vs tors. theta energy: -137.792 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: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1551.486520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.486520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.486520 (E_RNA) where: Base-Base interactions energy: -991.076 where: short stacking energy: -458.773 Base-Backbone interact. energy: 4.535 local terms energy: -564.945983 where: bonds (distance) C4'-P energy: -109.187 bonds (distance) P-C4' energy: -121.888 flat angles C4'-P-C4' energy: -117.616 flat angles P-C4'-P energy: -79.497 tors. eta vs tors. theta energy: -136.758 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: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1339.148707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.148707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.148707 (E_RNA) where: Base-Base interactions energy: -845.962 where: short stacking energy: -391.264 Base-Backbone interact. energy: 0.923 local terms energy: -494.109475 where: bonds (distance) C4'-P energy: -101.161 bonds (distance) P-C4' energy: -101.080 flat angles C4'-P-C4' energy: -117.766 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -87.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -827.726219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.726219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.726219 (E_RNA) where: Base-Base interactions energy: -449.480 where: short stacking energy: -254.448 Base-Backbone interact. energy: -1.556 local terms energy: -376.690306 where: bonds (distance) C4'-P energy: -84.135 bonds (distance) P-C4' energy: -114.369 flat angles C4'-P-C4' energy: -112.075 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -20.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -641.569360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.569360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.569360 (E_RNA) where: Base-Base interactions energy: -309.105 where: short stacking energy: -183.331 Base-Backbone interact. energy: 3.939 local terms energy: -336.403191 where: bonds (distance) C4'-P energy: -92.335 bonds (distance) P-C4' energy: -106.815 flat angles C4'-P-C4' energy: -77.807 flat angles P-C4'-P energy: -64.000 tors. eta vs tors. theta energy: 4.553 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: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2384.573511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.573511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.573511 (E_RNA) where: Base-Base interactions energy: -1642.667 where: short stacking energy: -711.524 Base-Backbone interact. energy: -1.249 local terms energy: -740.657669 where: bonds (distance) C4'-P energy: -144.959 bonds (distance) P-C4' energy: -124.783 flat angles C4'-P-C4' energy: -153.917 flat angles P-C4'-P energy: -113.169 tors. eta vs tors. theta energy: -203.830 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: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2282.641908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.641908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.641908 (E_RNA) where: Base-Base interactions energy: -1620.500 where: short stacking energy: -639.933 Base-Backbone interact. energy: -4.643 local terms energy: -657.499091 where: bonds (distance) C4'-P energy: -119.377 bonds (distance) P-C4' energy: -121.083 flat angles C4'-P-C4' energy: -143.285 flat angles P-C4'-P energy: -89.095 tors. eta vs tors. theta energy: -184.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2149.890697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.890697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.890697 (E_RNA) where: Base-Base interactions energy: -1481.703 where: short stacking energy: -617.642 Base-Backbone interact. energy: -2.716 local terms energy: -665.472198 where: bonds (distance) C4'-P energy: -123.718 bonds (distance) P-C4' energy: -117.130 flat angles C4'-P-C4' energy: -141.630 flat angles P-C4'-P energy: -100.372 tors. eta vs tors. theta energy: -182.622 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: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2022.612402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.612402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.612402 (E_RNA) where: Base-Base interactions energy: -1405.551 where: short stacking energy: -563.273 Base-Backbone interact. energy: -3.743 local terms energy: -613.317805 where: bonds (distance) C4'-P energy: -148.106 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -132.445 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -140.511 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: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1911.376238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.376238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.376238 (E_RNA) where: Base-Base interactions energy: -1279.066 where: short stacking energy: -578.089 Base-Backbone interact. energy: -1.356 local terms energy: -630.953993 where: bonds (distance) C4'-P energy: -114.650 bonds (distance) P-C4' energy: -128.671 flat angles C4'-P-C4' energy: -136.892 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -161.029 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: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1651.177811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.177811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.177811 (E_RNA) where: Base-Base interactions energy: -1083.631 where: short stacking energy: -458.809 Base-Backbone interact. energy: -1.613 local terms energy: -565.933930 where: bonds (distance) C4'-P energy: -115.982 bonds (distance) P-C4' energy: -127.880 flat angles C4'-P-C4' energy: -125.419 flat angles P-C4'-P energy: -77.004 tors. eta vs tors. theta energy: -119.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1516.953141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.953141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.953141 (E_RNA) where: Base-Base interactions energy: -972.238 where: short stacking energy: -436.385 Base-Backbone interact. energy: 1.320 local terms energy: -546.034764 where: bonds (distance) C4'-P energy: -107.694 bonds (distance) P-C4' energy: -105.945 flat angles C4'-P-C4' energy: -126.081 flat angles P-C4'-P energy: -78.471 tors. eta vs tors. theta energy: -127.844 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: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1265.478990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.478990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.478990 (E_RNA) where: Base-Base interactions energy: -763.328 where: short stacking energy: -360.574 Base-Backbone interact. energy: 3.398 local terms energy: -505.548944 where: bonds (distance) C4'-P energy: -102.472 bonds (distance) P-C4' energy: -117.802 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -81.567 tors. eta vs tors. theta energy: -82.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -857.010705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.010705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.010705 (E_RNA) where: Base-Base interactions energy: -452.944 where: short stacking energy: -221.975 Base-Backbone interact. energy: 3.701 local terms energy: -407.768052 where: bonds (distance) C4'-P energy: -97.993 bonds (distance) P-C4' energy: -109.501 flat angles C4'-P-C4' energy: -108.763 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -21.446 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: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -669.525701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.525701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.525701 (E_RNA) where: Base-Base interactions energy: -282.521 where: short stacking energy: -166.128 Base-Backbone interact. energy: -0.710 local terms energy: -386.294504 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -88.444 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: -2.948 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: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2362.390425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.390425 (E_RNA) where: Base-Base interactions energy: -1613.370 where: short stacking energy: -690.764 Base-Backbone interact. energy: -3.440 local terms energy: -745.580064 where: bonds (distance) C4'-P energy: -133.192 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -162.124 flat angles P-C4'-P energy: -106.910 tors. eta vs tors. theta energy: -210.927 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: 3 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2283.770956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.770956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.770956 (E_RNA) where: Base-Base interactions energy: -1564.165 where: short stacking energy: -635.373 Base-Backbone interact. energy: -0.593 local terms energy: -719.013137 where: bonds (distance) C4'-P energy: -131.543 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -153.570 flat angles P-C4'-P energy: -97.760 tors. eta vs tors. theta energy: -190.038 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: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2142.230374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.230374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.230374 (E_RNA) where: Base-Base interactions energy: -1505.359 where: short stacking energy: -591.524 Base-Backbone interact. energy: -0.664 local terms energy: -636.206987 where: bonds (distance) C4'-P energy: -126.890 bonds (distance) P-C4' energy: -128.381 flat angles C4'-P-C4' energy: -148.712 flat angles P-C4'-P energy: -81.520 tors. eta vs tors. theta energy: -150.704 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: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2095.354695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.354695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.354695 (E_RNA) where: Base-Base interactions energy: -1444.247 where: short stacking energy: -605.253 Base-Backbone interact. energy: -2.699 local terms energy: -648.408928 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -140.228 flat angles C4'-P-C4' energy: -142.033 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -170.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1878.896778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.896778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.896778 (E_RNA) where: Base-Base interactions energy: -1238.718 where: short stacking energy: -550.119 Base-Backbone interact. energy: -1.669 local terms energy: -638.509513 where: bonds (distance) C4'-P energy: -121.933 bonds (distance) P-C4' energy: -128.701 flat angles C4'-P-C4' energy: -140.895 flat angles P-C4'-P energy: -96.545 tors. eta vs tors. theta energy: -150.435 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: 220 Temperature: 1.150000 Total energy: -1675.136494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.136494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.136494 (E_RNA) where: Base-Base interactions energy: -1115.139 where: short stacking energy: -506.528 Base-Backbone interact. energy: -1.545 local terms energy: -558.452614 where: bonds (distance) C4'-P energy: -117.214 bonds (distance) P-C4' energy: -110.114 flat angles C4'-P-C4' energy: -114.444 flat angles P-C4'-P energy: -79.095 tors. eta vs tors. theta energy: -137.586 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: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1513.637499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.637499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.637499 (E_RNA) where: Base-Base interactions energy: -1002.294 where: short stacking energy: -428.217 Base-Backbone interact. energy: -0.132 local terms energy: -511.211806 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -114.729 flat angles C4'-P-C4' energy: -108.666 flat angles P-C4'-P energy: -75.662 tors. eta vs tors. theta energy: -90.645 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: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1267.187968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.187968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.187968 (E_RNA) where: Base-Base interactions energy: -785.996 where: short stacking energy: -354.039 Base-Backbone interact. energy: -5.084 local terms energy: -476.108444 where: bonds (distance) C4'-P energy: -124.132 bonds (distance) P-C4' energy: -97.416 flat angles C4'-P-C4' energy: -116.689 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -62.592 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: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -758.971262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.971262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.971262 (E_RNA) where: Base-Base interactions energy: -375.313 where: short stacking energy: -220.920 Base-Backbone interact. energy: -1.081 local terms energy: -382.576950 where: bonds (distance) C4'-P energy: -102.170 bonds (distance) P-C4' energy: -111.412 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -67.958 tors. eta vs tors. theta energy: -13.190 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: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -800.259015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.259015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.259015 (E_RNA) where: Base-Base interactions energy: -446.757 where: short stacking energy: -234.321 Base-Backbone interact. energy: -1.654 local terms energy: -351.848126 where: bonds (distance) C4'-P energy: -89.311 bonds (distance) P-C4' energy: -98.663 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -50.029 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2339.880310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.880310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.880310 (E_RNA) where: Base-Base interactions energy: -1635.351 where: short stacking energy: -695.384 Base-Backbone interact. energy: 0.015 local terms energy: -704.544462 where: bonds (distance) C4'-P energy: -124.650 bonds (distance) P-C4' energy: -128.799 flat angles C4'-P-C4' energy: -146.501 flat angles P-C4'-P energy: -94.946 tors. eta vs tors. theta energy: -209.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2267.361471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.361471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.361471 (E_RNA) where: Base-Base interactions energy: -1572.707 where: short stacking energy: -648.788 Base-Backbone interact. energy: -2.937 local terms energy: -691.717549 where: bonds (distance) C4'-P energy: -127.612 bonds (distance) P-C4' energy: -140.512 flat angles C4'-P-C4' energy: -139.396 flat angles P-C4'-P energy: -97.883 tors. eta vs tors. theta energy: -186.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2169.615277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.615277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.615277 (E_RNA) where: Base-Base interactions energy: -1513.992 where: short stacking energy: -608.736 Base-Backbone interact. energy: -4.600 local terms energy: -651.023278 where: bonds (distance) C4'-P energy: -121.489 bonds (distance) P-C4' energy: -126.830 flat angles C4'-P-C4' energy: -140.225 flat angles P-C4'-P energy: -94.506 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: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2064.119897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.119897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.119897 (E_RNA) where: Base-Base interactions energy: -1424.518 where: short stacking energy: -598.139 Base-Backbone interact. energy: 0.348 local terms energy: -639.949633 where: bonds (distance) C4'-P energy: -112.423 bonds (distance) P-C4' energy: -120.467 flat angles C4'-P-C4' energy: -142.600 flat angles P-C4'-P energy: -95.635 tors. eta vs tors. theta energy: -168.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1922.297578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.297578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.297578 (E_RNA) where: Base-Base interactions energy: -1283.979 where: short stacking energy: -563.669 Base-Backbone interact. energy: -2.384 local terms energy: -635.933919 where: bonds (distance) C4'-P energy: -122.610 bonds (distance) P-C4' energy: -124.773 flat angles C4'-P-C4' energy: -126.390 flat angles P-C4'-P energy: -86.271 tors. eta vs tors. theta energy: -175.891 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: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1626.629673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.629673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.629673 (E_RNA) where: Base-Base interactions energy: -1063.167 where: short stacking energy: -456.619 Base-Backbone interact. energy: -1.611 local terms energy: -561.851244 where: bonds (distance) C4'-P energy: -113.155 bonds (distance) P-C4' energy: -118.214 flat angles C4'-P-C4' energy: -128.914 flat angles P-C4'-P energy: -89.146 tors. eta vs tors. theta energy: -112.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1527.474711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.474711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.474711 (E_RNA) where: Base-Base interactions energy: -1009.536 where: short stacking energy: -464.589 Base-Backbone interact. energy: 1.620 local terms energy: -519.558043 where: bonds (distance) C4'-P energy: -109.768 bonds (distance) P-C4' energy: -106.292 flat angles C4'-P-C4' energy: -118.208 flat angles P-C4'-P energy: -74.625 tors. eta vs tors. theta energy: -110.665 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: 8, replica: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1257.769247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.769247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.769247 (E_RNA) where: Base-Base interactions energy: -774.978 where: short stacking energy: -352.216 Base-Backbone interact. energy: 0.361 local terms energy: -483.152578 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -117.205 flat angles C4'-P-C4' energy: -113.745 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -71.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -770.419677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.419677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.419677 (E_RNA) where: Base-Base interactions energy: -417.897 where: short stacking energy: -248.317 Base-Backbone interact. energy: 0.045 local terms energy: -352.567983 where: bonds (distance) C4'-P energy: -99.462 bonds (distance) P-C4' energy: -113.513 flat angles C4'-P-C4' energy: -91.229 flat angles P-C4'-P energy: -40.747 tors. eta vs tors. theta energy: -7.616 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: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -801.395391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.395391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.395391 (E_RNA) where: Base-Base interactions energy: -429.497 where: short stacking energy: -211.564 Base-Backbone interact. energy: 0.635 local terms energy: -372.533313 where: bonds (distance) C4'-P energy: -107.842 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -95.204 flat angles P-C4'-P energy: -57.419 tors. eta vs tors. theta energy: -5.883 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: 1, replica: 7 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2340.258017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.258017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.258017 (E_RNA) where: Base-Base interactions energy: -1623.007 where: short stacking energy: -695.727 Base-Backbone interact. energy: -2.159 local terms energy: -715.091637 where: bonds (distance) C4'-P energy: -123.791 bonds (distance) P-C4' energy: -126.547 flat angles C4'-P-C4' energy: -155.629 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -212.506 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: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2289.999342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.999342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.999342 (E_RNA) where: Base-Base interactions energy: -1586.955 where: short stacking energy: -658.019 Base-Backbone interact. energy: -0.882 local terms energy: -702.162614 where: bonds (distance) C4'-P energy: -132.010 bonds (distance) P-C4' energy: -135.585 flat angles C4'-P-C4' energy: -138.385 flat angles P-C4'-P energy: -101.448 tors. eta vs tors. theta energy: -194.735 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: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2119.372773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.372773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.372773 (E_RNA) where: Base-Base interactions energy: -1462.455 where: short stacking energy: -585.295 Base-Backbone interact. energy: -2.791 local terms energy: -654.126536 where: bonds (distance) C4'-P energy: -123.059 bonds (distance) P-C4' energy: -133.622 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -99.856 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: 4, replica: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2051.091461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.091461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.091461 (E_RNA) where: Base-Base interactions energy: -1424.608 where: short stacking energy: -597.986 Base-Backbone interact. energy: 1.768 local terms energy: -628.251128 where: bonds (distance) C4'-P energy: -128.468 bonds (distance) P-C4' energy: -117.748 flat angles C4'-P-C4' energy: -139.711 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -170.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1893.426305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.426305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.426305 (E_RNA) where: Base-Base interactions energy: -1272.524 where: short stacking energy: -567.759 Base-Backbone interact. energy: -0.426 local terms energy: -620.477086 where: bonds (distance) C4'-P energy: -112.753 bonds (distance) P-C4' energy: -124.526 flat angles C4'-P-C4' energy: -129.033 flat angles P-C4'-P energy: -92.050 tors. eta vs tors. theta energy: -162.115 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: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1645.092080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.092080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.092080 (E_RNA) where: Base-Base interactions energy: -1053.830 where: short stacking energy: -466.706 Base-Backbone interact. energy: -1.025 local terms energy: -590.237101 where: bonds (distance) C4'-P energy: -135.300 bonds (distance) P-C4' energy: -113.258 flat angles C4'-P-C4' energy: -132.313 flat angles P-C4'-P energy: -94.291 tors. eta vs tors. theta energy: -115.075 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: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1535.350720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.350720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.350720 (E_RNA) where: Base-Base interactions energy: -981.816 where: short stacking energy: -443.700 Base-Backbone interact. energy: -2.776 local terms energy: -550.759045 where: bonds (distance) C4'-P energy: -122.760 bonds (distance) P-C4' energy: -130.976 flat angles C4'-P-C4' energy: -118.299 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -99.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1274.553308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.553308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.553308 (E_RNA) where: Base-Base interactions energy: -795.495 where: short stacking energy: -379.329 Base-Backbone interact. energy: -0.731 local terms energy: -478.327180 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -125.002 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -64.355 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: 9, replica: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -841.827319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.827319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.827319 (E_RNA) where: Base-Base interactions energy: -460.603 where: short stacking energy: -256.158 Base-Backbone interact. energy: -2.822 local terms energy: -378.401829 where: bonds (distance) C4'-P energy: -95.022 bonds (distance) P-C4' energy: -110.158 flat angles C4'-P-C4' energy: -95.422 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: -25.296 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: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -700.574912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.574912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.574912 (E_RNA) where: Base-Base interactions energy: -325.295 where: short stacking energy: -159.464 Base-Backbone interact. energy: 4.599 local terms energy: -379.879493 where: bonds (distance) C4'-P energy: -93.796 bonds (distance) P-C4' energy: -117.083 flat angles C4'-P-C4' energy: -101.890 flat angles P-C4'-P energy: -67.021 tors. eta vs tors. theta energy: -0.088 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: 1, replica: 7 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2353.235063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.235063 (E_RNA) where: Base-Base interactions energy: -1618.610 where: short stacking energy: -682.713 Base-Backbone interact. energy: -1.442 local terms energy: -733.182948 where: bonds (distance) C4'-P energy: -139.989 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -153.634 flat angles P-C4'-P energy: -103.018 tors. eta vs tors. theta energy: -207.733 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: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2285.316768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.316768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.316768 (E_RNA) where: Base-Base interactions energy: -1589.846 where: short stacking energy: -640.340 Base-Backbone interact. energy: -2.355 local terms energy: -693.115456 where: bonds (distance) C4'-P energy: -119.341 bonds (distance) P-C4' energy: -132.654 flat angles C4'-P-C4' energy: -150.190 flat angles P-C4'-P energy: -97.104 tors. eta vs tors. theta energy: -193.828 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: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2116.494237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.494237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.494237 (E_RNA) where: Base-Base interactions energy: -1465.921 where: short stacking energy: -601.557 Base-Backbone interact. energy: -2.107 local terms energy: -648.466431 where: bonds (distance) C4'-P energy: -125.387 bonds (distance) P-C4' energy: -127.223 flat angles C4'-P-C4' energy: -149.610 flat angles P-C4'-P energy: -86.840 tors. eta vs tors. theta energy: -159.405 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: 10 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2027.126183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.126183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.126183 (E_RNA) where: Base-Base interactions energy: -1402.949 where: short stacking energy: -566.640 Base-Backbone interact. energy: -0.185 local terms energy: -623.992217 where: bonds (distance) C4'-P energy: -113.852 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -132.908 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -160.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1921.378253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.378253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.378253 (E_RNA) where: Base-Base interactions energy: -1294.936 where: short stacking energy: -582.353 Base-Backbone interact. energy: -0.657 local terms energy: -625.785234 where: bonds (distance) C4'-P energy: -118.513 bonds (distance) P-C4' energy: -110.156 flat angles C4'-P-C4' energy: -133.994 flat angles P-C4'-P energy: -86.717 tors. eta vs tors. theta energy: -176.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1606.821437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.821437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.821437 (E_RNA) where: Base-Base interactions energy: -1017.103 where: short stacking energy: -469.811 Base-Backbone interact. energy: -1.157 local terms energy: -588.560992 where: bonds (distance) C4'-P energy: -120.417 bonds (distance) P-C4' energy: -112.828 flat angles C4'-P-C4' energy: -129.290 flat angles P-C4'-P energy: -87.313 tors. eta vs tors. theta energy: -138.713 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: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1549.597010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.597010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.597010 (E_RNA) where: Base-Base interactions energy: -1025.512 where: short stacking energy: -464.220 Base-Backbone interact. energy: -3.810 local terms energy: -520.275330 where: bonds (distance) C4'-P energy: -107.617 bonds (distance) P-C4' energy: -116.223 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -70.021 tors. eta vs tors. theta energy: -112.211 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: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1222.316558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.316558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.316558 (E_RNA) where: Base-Base interactions energy: -745.433 where: short stacking energy: -363.875 Base-Backbone interact. energy: -2.299 local terms energy: -474.584292 where: bonds (distance) C4'-P energy: -117.424 bonds (distance) P-C4' energy: -107.874 flat angles C4'-P-C4' energy: -99.759 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: -74.841 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: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -900.322583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.322583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.322583 (E_RNA) where: Base-Base interactions energy: -486.270 where: short stacking energy: -285.279 Base-Backbone interact. energy: -2.985 local terms energy: -411.067010 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -110.309 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -68.734 tors. eta vs tors. theta energy: -39.895 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: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -680.700113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.700113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.700113 (E_RNA) where: Base-Base interactions energy: -348.583 where: short stacking energy: -206.347 Base-Backbone interact. energy: -2.743 local terms energy: -329.373909 where: bonds (distance) C4'-P energy: -98.266 bonds (distance) P-C4' energy: -102.392 flat angles C4'-P-C4' energy: -76.151 flat angles P-C4'-P energy: -52.165 tors. eta vs tors. theta energy: -0.399 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: 1, replica: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2354.266622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.266622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.266622 (E_RNA) where: Base-Base interactions energy: -1597.682 where: short stacking energy: -667.625 Base-Backbone interact. energy: -3.022 local terms energy: -753.562102 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -139.326 flat angles C4'-P-C4' energy: -155.046 flat angles P-C4'-P energy: -113.018 tors. eta vs tors. theta energy: -211.595 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: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2257.598222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.598222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.598222 (E_RNA) where: Base-Base interactions energy: -1584.632 where: short stacking energy: -662.046 Base-Backbone interact. energy: -2.382 local terms energy: -670.584386 where: bonds (distance) C4'-P energy: -124.304 bonds (distance) P-C4' energy: -121.249 flat angles C4'-P-C4' energy: -139.892 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -189.833 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: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2145.025091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.025091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.025091 (E_RNA) where: Base-Base interactions energy: -1495.362 where: short stacking energy: -584.789 Base-Backbone interact. energy: 3.621 local terms energy: -653.284210 where: bonds (distance) C4'-P energy: -112.851 bonds (distance) P-C4' energy: -135.805 flat angles C4'-P-C4' energy: -140.878 flat angles P-C4'-P energy: -95.697 tors. eta vs tors. theta energy: -168.053 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: 10 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2018.588294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.588294 (E_RNA) where: Base-Base interactions energy: -1365.904 where: short stacking energy: -589.599 Base-Backbone interact. energy: -1.431 local terms energy: -651.253535 where: bonds (distance) C4'-P energy: -119.725 bonds (distance) P-C4' energy: -115.598 flat angles C4'-P-C4' energy: -154.226 flat angles P-C4'-P energy: -94.579 tors. eta vs tors. theta energy: -167.125 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: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1940.833982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.833982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.833982 (E_RNA) where: Base-Base interactions energy: -1292.548 where: short stacking energy: -577.653 Base-Backbone interact. energy: -5.444 local terms energy: -642.842108 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -118.682 flat angles C4'-P-C4' energy: -140.284 flat angles P-C4'-P energy: -87.914 tors. eta vs tors. theta energy: -165.091 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: 6, replica: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1593.598227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.598227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.598227 (E_RNA) where: Base-Base interactions energy: -1063.932 where: short stacking energy: -465.406 Base-Backbone interact. energy: 1.902 local terms energy: -531.567921 where: bonds (distance) C4'-P energy: -106.488 bonds (distance) P-C4' energy: -115.812 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -81.757 tors. eta vs tors. theta energy: -117.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1514.524347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.524347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.524347 (E_RNA) where: Base-Base interactions energy: -1018.022 where: short stacking energy: -445.736 Base-Backbone interact. energy: 5.147 local terms energy: -501.649483 where: bonds (distance) C4'-P energy: -107.416 bonds (distance) P-C4' energy: -102.815 flat angles C4'-P-C4' energy: -130.228 flat angles P-C4'-P energy: -64.958 tors. eta vs tors. theta energy: -96.232 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: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1329.709843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.709843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.709843 (E_RNA) where: Base-Base interactions energy: -855.622 where: short stacking energy: -382.419 Base-Backbone interact. energy: 2.302 local terms energy: -476.389369 where: bonds (distance) C4'-P energy: -113.088 bonds (distance) P-C4' energy: -109.533 flat angles C4'-P-C4' energy: -95.173 flat angles P-C4'-P energy: -76.851 tors. eta vs tors. theta energy: -81.745 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: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -825.519175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.519175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.519175 (E_RNA) where: Base-Base interactions energy: -442.048 where: short stacking energy: -233.113 Base-Backbone interact. energy: 0.251 local terms energy: -383.722671 where: bonds (distance) C4'-P energy: -109.080 bonds (distance) P-C4' energy: -114.276 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -60.188 tors. eta vs tors. theta energy: -7.033 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: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -603.514871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.514871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.514871 (E_RNA) where: Base-Base interactions energy: -279.105 where: short stacking energy: -171.092 Base-Backbone interact. energy: 2.088 local terms energy: -326.497301 where: bonds (distance) C4'-P energy: -109.829 bonds (distance) P-C4' energy: -108.659 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -53.826 tors. eta vs tors. theta energy: 16.791 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: 225 Temperature: 0.900000 Total energy: -2335.877528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.877528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.877528 (E_RNA) where: Base-Base interactions energy: -1591.753 where: short stacking energy: -683.459 Base-Backbone interact. energy: -2.127 local terms energy: -741.997417 where: bonds (distance) C4'-P energy: -139.774 bonds (distance) P-C4' energy: -132.125 flat angles C4'-P-C4' energy: -162.551 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -204.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2255.722235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.722235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.722235 (E_RNA) where: Base-Base interactions energy: -1560.675 where: short stacking energy: -666.101 Base-Backbone interact. energy: -4.929 local terms energy: -690.118133 where: bonds (distance) C4'-P energy: -127.476 bonds (distance) P-C4' energy: -120.132 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -108.559 tors. eta vs tors. theta energy: -195.424 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: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2163.195310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.195310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.195310 (E_RNA) where: Base-Base interactions energy: -1501.362 where: short stacking energy: -591.704 Base-Backbone interact. energy: -4.423 local terms energy: -657.410586 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -124.604 flat angles C4'-P-C4' energy: -142.661 flat angles P-C4'-P energy: -91.195 tors. eta vs tors. theta energy: -162.769 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: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1982.421580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.421580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.421580 (E_RNA) where: Base-Base interactions energy: -1324.684 where: short stacking energy: -586.465 Base-Backbone interact. energy: -1.442 local terms energy: -656.295578 where: bonds (distance) C4'-P energy: -114.204 bonds (distance) P-C4' energy: -136.252 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -95.849 tors. eta vs tors. theta energy: -167.066 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: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1972.991669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.991669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.991669 (E_RNA) where: Base-Base interactions energy: -1346.692 where: short stacking energy: -558.720 Base-Backbone interact. energy: -1.260 local terms energy: -625.039035 where: bonds (distance) C4'-P energy: -101.576 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -140.681 flat angles P-C4'-P energy: -97.629 tors. eta vs tors. theta energy: -161.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1525.483771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.483771 (E_RNA) where: Base-Base interactions energy: -992.060 where: short stacking energy: -466.472 Base-Backbone interact. energy: -2.846 local terms energy: -530.577930 where: bonds (distance) C4'-P energy: -118.342 bonds (distance) P-C4' energy: -102.280 flat angles C4'-P-C4' energy: -118.456 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -112.926 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: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1452.610226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.610226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.610226 (E_RNA) where: Base-Base interactions energy: -911.688 where: short stacking energy: -421.711 Base-Backbone interact. energy: -1.632 local terms energy: -539.290032 where: bonds (distance) C4'-P energy: -103.633 bonds (distance) P-C4' energy: -129.376 flat angles C4'-P-C4' energy: -112.387 flat angles P-C4'-P energy: -86.968 tors. eta vs tors. theta energy: -106.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1337.556337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.556337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.556337 (E_RNA) where: Base-Base interactions energy: -827.791 where: short stacking energy: -406.145 Base-Backbone interact. energy: -2.421 local terms energy: -507.344347 where: bonds (distance) C4'-P energy: -117.075 bonds (distance) P-C4' energy: -112.842 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -86.567 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -926.760730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.760730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.760730 (E_RNA) where: Base-Base interactions energy: -539.279 where: short stacking energy: -270.840 Base-Backbone interact. energy: 1.841 local terms energy: -389.322588 where: bonds (distance) C4'-P energy: -96.951 bonds (distance) P-C4' energy: -104.863 flat angles C4'-P-C4' energy: -114.194 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -29.229 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: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -658.029813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.029813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.029813 (E_RNA) where: Base-Base interactions energy: -305.962 where: short stacking energy: -194.638 Base-Backbone interact. energy: -0.117 local terms energy: -351.951169 where: bonds (distance) C4'-P energy: -104.277 bonds (distance) P-C4' energy: -96.757 flat angles C4'-P-C4' energy: -95.992 flat angles P-C4'-P energy: -56.969 tors. eta vs tors. theta energy: 2.045 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: 1, replica: 7 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2385.526089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.526089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.526089 (E_RNA) where: Base-Base interactions energy: -1625.789 where: short stacking energy: -710.715 Base-Backbone interact. energy: -1.282 local terms energy: -758.455308 where: bonds (distance) C4'-P energy: -133.182 bonds (distance) P-C4' energy: -135.839 flat angles C4'-P-C4' energy: -167.193 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -220.288 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: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2297.686173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.686173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.686173 (E_RNA) where: Base-Base interactions energy: -1620.696 where: short stacking energy: -654.122 Base-Backbone interact. energy: -2.660 local terms energy: -674.330220 where: bonds (distance) C4'-P energy: -120.578 bonds (distance) P-C4' energy: -114.443 flat angles C4'-P-C4' energy: -144.772 flat angles P-C4'-P energy: -111.856 tors. eta vs tors. theta energy: -182.680 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: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2122.246385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.246385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.246385 (E_RNA) where: Base-Base interactions energy: -1474.299 where: short stacking energy: -618.745 Base-Backbone interact. energy: -3.225 local terms energy: -644.722328 where: bonds (distance) C4'-P energy: -117.761 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -129.511 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -157.921 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: 1 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2004.668828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.668828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.668828 (E_RNA) where: Base-Base interactions energy: -1322.352 where: short stacking energy: -606.215 Base-Backbone interact. energy: -0.685 local terms energy: -681.631808 where: bonds (distance) C4'-P energy: -136.434 bonds (distance) P-C4' energy: -132.209 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -183.691 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: 5, replica: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1955.118768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.118768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.118768 (E_RNA) where: Base-Base interactions energy: -1322.507 where: short stacking energy: -548.120 Base-Backbone interact. energy: -3.739 local terms energy: -628.872342 where: bonds (distance) C4'-P energy: -116.219 bonds (distance) P-C4' energy: -121.551 flat angles C4'-P-C4' energy: -138.891 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -172.587 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: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1620.276790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.276790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.276790 (E_RNA) where: Base-Base interactions energy: -1060.173 where: short stacking energy: -463.985 Base-Backbone interact. energy: -0.252 local terms energy: -559.851301 where: bonds (distance) C4'-P energy: -109.671 bonds (distance) P-C4' energy: -114.229 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -87.286 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: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1447.305737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.305737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.305737 (E_RNA) where: Base-Base interactions energy: -938.739 where: short stacking energy: -420.192 Base-Backbone interact. energy: -3.052 local terms energy: -505.514542 where: bonds (distance) C4'-P energy: -119.133 bonds (distance) P-C4' energy: -104.560 flat angles C4'-P-C4' energy: -119.189 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -89.789 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: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1335.229396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.229396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.229396 (E_RNA) where: Base-Base interactions energy: -862.288 where: short stacking energy: -375.958 Base-Backbone interact. energy: -5.111 local terms energy: -467.830440 where: bonds (distance) C4'-P energy: -102.671 bonds (distance) P-C4' energy: -118.076 flat angles C4'-P-C4' energy: -116.042 flat angles P-C4'-P energy: -58.600 tors. eta vs tors. theta energy: -72.442 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: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -944.126106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.126106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.126106 (E_RNA) where: Base-Base interactions energy: -536.766 where: short stacking energy: -244.290 Base-Backbone interact. energy: -0.511 local terms energy: -406.848612 where: bonds (distance) C4'-P energy: -117.066 bonds (distance) P-C4' energy: -114.891 flat angles C4'-P-C4' energy: -83.152 flat angles P-C4'-P energy: -69.155 tors. eta vs tors. theta energy: -22.585 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: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -710.784135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.784135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.784135 (E_RNA) where: Base-Base interactions energy: -353.984 where: short stacking energy: -196.252 Base-Backbone interact. energy: -3.129 local terms energy: -353.670405 where: bonds (distance) C4'-P energy: -104.889 bonds (distance) P-C4' energy: -116.340 flat angles C4'-P-C4' energy: -85.654 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: 13.268 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: 7 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2334.622053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.622053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.622053 (E_RNA) where: Base-Base interactions energy: -1617.340 where: short stacking energy: -660.484 Base-Backbone interact. energy: -2.733 local terms energy: -714.548906 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -136.561 flat angles C4'-P-C4' energy: -147.955 flat angles P-C4'-P energy: -108.729 tors. eta vs tors. theta energy: -204.521 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: 227 Temperature: 0.950000 Total energy: -2312.239468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.239468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.239468 (E_RNA) where: Base-Base interactions energy: -1614.400 where: short stacking energy: -670.894 Base-Backbone interact. energy: -6.080 local terms energy: -691.758853 where: bonds (distance) C4'-P energy: -123.840 bonds (distance) P-C4' energy: -131.898 flat angles C4'-P-C4' energy: -142.350 flat angles P-C4'-P energy: -94.492 tors. eta vs tors. theta energy: -199.178 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: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2142.322129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.322129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.322129 (E_RNA) where: Base-Base interactions energy: -1502.382 where: short stacking energy: -609.173 Base-Backbone interact. energy: -0.185 local terms energy: -639.755279 where: bonds (distance) C4'-P energy: -131.232 bonds (distance) P-C4' energy: -130.291 flat angles C4'-P-C4' energy: -136.033 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -159.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1959.652505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.652505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.652505 (E_RNA) where: Base-Base interactions energy: -1298.940 where: short stacking energy: -588.355 Base-Backbone interact. energy: -2.548 local terms energy: -658.164575 where: bonds (distance) C4'-P energy: -129.212 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -132.762 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -177.321 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: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1918.335474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.335474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.335474 (E_RNA) where: Base-Base interactions energy: -1287.424 where: short stacking energy: -546.783 Base-Backbone interact. energy: 0.396 local terms energy: -631.307180 where: bonds (distance) C4'-P energy: -112.703 bonds (distance) P-C4' energy: -138.445 flat angles C4'-P-C4' energy: -125.578 flat angles P-C4'-P energy: -85.057 tors. eta vs tors. theta energy: -169.525 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: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1701.215570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.215570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.215570 (E_RNA) where: Base-Base interactions energy: -1131.317 where: short stacking energy: -502.457 Base-Backbone interact. energy: -1.485 local terms energy: -568.413955 where: bonds (distance) C4'-P energy: -102.095 bonds (distance) P-C4' energy: -121.300 flat angles C4'-P-C4' energy: -129.947 flat angles P-C4'-P energy: -82.392 tors. eta vs tors. theta energy: -132.680 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: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1483.225301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.225301 (E_RNA) where: Base-Base interactions energy: -960.862 where: short stacking energy: -443.406 Base-Backbone interact. energy: 0.892 local terms energy: -523.255754 where: bonds (distance) C4'-P energy: -103.524 bonds (distance) P-C4' energy: -108.456 flat angles C4'-P-C4' energy: -124.609 flat angles P-C4'-P energy: -80.872 tors. eta vs tors. theta energy: -105.796 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: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1414.621943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.621943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.621943 (E_RNA) where: Base-Base interactions energy: -937.205 where: short stacking energy: -421.109 Base-Backbone interact. energy: 2.718 local terms energy: -480.134931 where: bonds (distance) C4'-P energy: -114.242 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -93.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1010.541363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.541363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.541363 (E_RNA) where: Base-Base interactions energy: -597.954 where: short stacking energy: -314.204 Base-Backbone interact. energy: -0.041 local terms energy: -412.546546 where: bonds (distance) C4'-P energy: -107.521 bonds (distance) P-C4' energy: -119.116 flat angles C4'-P-C4' energy: -84.395 flat angles P-C4'-P energy: -48.047 tors. eta vs tors. theta energy: -53.468 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: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -733.737438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.737438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.737438 (E_RNA) where: Base-Base interactions energy: -358.046 where: short stacking energy: -201.776 Base-Backbone interact. energy: 4.443 local terms energy: -380.134854 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -116.747 flat angles C4'-P-C4' energy: -72.596 flat angles P-C4'-P energy: -65.303 tors. eta vs tors. theta energy: -8.450 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: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2364.241155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.241155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.241155 (E_RNA) where: Base-Base interactions energy: -1616.134 where: short stacking energy: -675.975 Base-Backbone interact. energy: -1.847 local terms energy: -746.260084 where: bonds (distance) C4'-P energy: -143.766 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -154.504 flat angles P-C4'-P energy: -108.197 tors. eta vs tors. theta energy: -207.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2262.138808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.138808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.138808 (E_RNA) where: Base-Base interactions energy: -1563.291 where: short stacking energy: -649.623 Base-Backbone interact. energy: -3.040 local terms energy: -695.808025 where: bonds (distance) C4'-P energy: -124.185 bonds (distance) P-C4' energy: -136.722 flat angles C4'-P-C4' energy: -138.002 flat angles P-C4'-P energy: -107.046 tors. eta vs tors. theta energy: -189.853 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: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2185.854432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.854432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.854432 (E_RNA) where: Base-Base interactions energy: -1508.798 where: short stacking energy: -627.061 Base-Backbone interact. energy: 0.268 local terms energy: -677.324111 where: bonds (distance) C4'-P energy: -133.917 bonds (distance) P-C4' energy: -130.158 flat angles C4'-P-C4' energy: -133.486 flat angles P-C4'-P energy: -100.453 tors. eta vs tors. theta energy: -179.310 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: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1907.393504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.393504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.393504 (E_RNA) where: Base-Base interactions energy: -1297.612 where: short stacking energy: -565.736 Base-Backbone interact. energy: -4.320 local terms energy: -605.461931 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -128.587 flat angles C4'-P-C4' energy: -130.520 flat angles P-C4'-P energy: -74.622 tors. eta vs tors. theta energy: -155.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1942.962390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.962390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.962390 (E_RNA) where: Base-Base interactions energy: -1321.645 where: short stacking energy: -571.679 Base-Backbone interact. energy: -1.927 local terms energy: -619.390910 where: bonds (distance) C4'-P energy: -112.687 bonds (distance) P-C4' energy: -119.152 flat angles C4'-P-C4' energy: -144.968 flat angles P-C4'-P energy: -76.773 tors. eta vs tors. theta energy: -165.811 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: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1668.909697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.909697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.909697 (E_RNA) where: Base-Base interactions energy: -1093.231 where: short stacking energy: -476.976 Base-Backbone interact. energy: -3.775 local terms energy: -571.903616 where: bonds (distance) C4'-P energy: -104.820 bonds (distance) P-C4' energy: -123.773 flat angles C4'-P-C4' energy: -130.723 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -129.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1426.965087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.965087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.965087 (E_RNA) where: Base-Base interactions energy: -912.387 where: short stacking energy: -402.334 Base-Backbone interact. energy: -4.388 local terms energy: -510.189894 where: bonds (distance) C4'-P energy: -102.444 bonds (distance) P-C4' energy: -139.458 flat angles C4'-P-C4' energy: -122.316 flat angles P-C4'-P energy: -58.662 tors. eta vs tors. theta energy: -87.311 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: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1346.233099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.233099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.233099 (E_RNA) where: Base-Base interactions energy: -826.377 where: short stacking energy: -389.486 Base-Backbone interact. energy: 0.400 local terms energy: -520.255881 where: bonds (distance) C4'-P energy: -95.484 bonds (distance) P-C4' energy: -124.860 flat angles C4'-P-C4' energy: -125.313 flat angles P-C4'-P energy: -84.797 tors. eta vs tors. theta energy: -89.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1049.374887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.374887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.374887 (E_RNA) where: Base-Base interactions energy: -608.459 where: short stacking energy: -301.516 Base-Backbone interact. energy: -0.101 local terms energy: -440.815309 where: bonds (distance) C4'-P energy: -110.758 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -118.649 flat angles P-C4'-P energy: -58.599 tors. eta vs tors. theta energy: -40.273 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -775.209520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.209520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.209520 (E_RNA) where: Base-Base interactions energy: -433.408 where: short stacking energy: -240.462 Base-Backbone interact. energy: 7.699 local terms energy: -349.500164 where: bonds (distance) C4'-P energy: -88.427 bonds (distance) P-C4' energy: -100.649 flat angles C4'-P-C4' energy: -79.894 flat angles P-C4'-P energy: -68.253 tors. eta vs tors. theta energy: -12.277 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: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2373.313259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.313259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.313259 (E_RNA) where: Base-Base interactions energy: -1628.597 where: short stacking energy: -699.454 Base-Backbone interact. energy: -3.497 local terms energy: -741.219499 where: bonds (distance) C4'-P energy: -130.372 bonds (distance) P-C4' energy: -139.520 flat angles C4'-P-C4' energy: -157.182 flat angles P-C4'-P energy: -98.700 tors. eta vs tors. theta energy: -215.446 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: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2300.404675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.404675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.404675 (E_RNA) where: Base-Base interactions energy: -1600.555 where: short stacking energy: -666.363 Base-Backbone interact. energy: -6.283 local terms energy: -693.566245 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -143.724 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -203.748 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: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2141.190014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.190014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.190014 (E_RNA) where: Base-Base interactions energy: -1491.120 where: short stacking energy: -604.246 Base-Backbone interact. energy: -2.195 local terms energy: -647.874509 where: bonds (distance) C4'-P energy: -129.136 bonds (distance) P-C4' energy: -123.507 flat angles C4'-P-C4' energy: -133.180 flat angles P-C4'-P energy: -97.079 tors. eta vs tors. theta energy: -164.972 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: 4, replica: 1 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1988.921019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.921019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.921019 (E_RNA) where: Base-Base interactions energy: -1368.453 where: short stacking energy: -596.236 Base-Backbone interact. energy: -1.441 local terms energy: -619.027149 where: bonds (distance) C4'-P energy: -123.248 bonds (distance) P-C4' energy: -123.060 flat angles C4'-P-C4' energy: -133.426 flat angles P-C4'-P energy: -82.010 tors. eta vs tors. theta energy: -157.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1922.298414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.298414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.298414 (E_RNA) where: Base-Base interactions energy: -1315.886 where: short stacking energy: -556.459 Base-Backbone interact. energy: -0.624 local terms energy: -605.788329 where: bonds (distance) C4'-P energy: -106.361 bonds (distance) P-C4' energy: -124.058 flat angles C4'-P-C4' energy: -138.530 flat angles P-C4'-P energy: -90.652 tors. eta vs tors. theta energy: -146.187 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: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1635.217907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.217907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.217907 (E_RNA) where: Base-Base interactions energy: -1061.254 where: short stacking energy: -475.380 Base-Backbone interact. energy: -2.408 local terms energy: -571.556283 where: bonds (distance) C4'-P energy: -128.938 bonds (distance) P-C4' energy: -106.429 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -71.587 tors. eta vs tors. theta energy: -146.223 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: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1455.294632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.294632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.294632 (E_RNA) where: Base-Base interactions energy: -942.073 where: short stacking energy: -437.259 Base-Backbone interact. energy: -1.735 local terms energy: -511.486781 where: bonds (distance) C4'-P energy: -104.939 bonds (distance) P-C4' energy: -120.611 flat angles C4'-P-C4' energy: -122.562 flat angles P-C4'-P energy: -63.377 tors. eta vs tors. theta energy: -99.998 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: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1338.380191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.380191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.380191 (E_RNA) where: Base-Base interactions energy: -834.386 where: short stacking energy: -385.756 Base-Backbone interact. energy: -0.729 local terms energy: -503.264848 where: bonds (distance) C4'-P energy: -104.716 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -68.385 tors. eta vs tors. theta energy: -86.306 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: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1015.136039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.136039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.136039 (E_RNA) where: Base-Base interactions energy: -601.605 where: short stacking energy: -302.334 Base-Backbone interact. energy: 2.842 local terms energy: -416.373448 where: bonds (distance) C4'-P energy: -99.838 bonds (distance) P-C4' energy: -118.152 flat angles C4'-P-C4' energy: -88.389 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -46.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -713.612919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.612919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.612919 (E_RNA) where: Base-Base interactions energy: -362.701 where: short stacking energy: -198.122 Base-Backbone interact. energy: 12.462 local terms energy: -363.373302 where: bonds (distance) C4'-P energy: -95.434 bonds (distance) P-C4' energy: -104.546 flat angles C4'-P-C4' energy: -95.344 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: 0.767 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: 1, replica: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2405.674208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.674208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.674208 (E_RNA) where: Base-Base interactions energy: -1646.945 where: short stacking energy: -703.454 Base-Backbone interact. energy: -1.938 local terms energy: -756.791055 where: bonds (distance) C4'-P energy: -133.384 bonds (distance) P-C4' energy: -130.381 flat angles C4'-P-C4' energy: -160.131 flat angles P-C4'-P energy: -115.120 tors. eta vs tors. theta energy: -217.776 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: 2, replica: 3 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2308.811843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.811843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.811843 (E_RNA) where: Base-Base interactions energy: -1615.853 where: short stacking energy: -657.749 Base-Backbone interact. energy: -4.618 local terms energy: -688.340463 where: bonds (distance) C4'-P energy: -125.378 bonds (distance) P-C4' energy: -131.660 flat angles C4'-P-C4' energy: -138.087 flat angles P-C4'-P energy: -97.077 tors. eta vs tors. theta energy: -196.139 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: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2120.452126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.452126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.452126 (E_RNA) where: Base-Base interactions energy: -1491.049 where: short stacking energy: -617.224 Base-Backbone interact. energy: 0.802 local terms energy: -630.204735 where: bonds (distance) C4'-P energy: -103.226 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -142.694 flat angles P-C4'-P energy: -87.869 tors. eta vs tors. theta energy: -160.328 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: 4, replica: 1 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2012.155335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.155335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.155335 (E_RNA) where: Base-Base interactions energy: -1345.663 where: short stacking energy: -613.327 Base-Backbone interact. energy: -1.986 local terms energy: -664.506637 where: bonds (distance) C4'-P energy: -124.812 bonds (distance) P-C4' energy: -123.832 flat angles C4'-P-C4' energy: -149.900 flat angles P-C4'-P energy: -88.082 tors. eta vs tors. theta energy: -177.880 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: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1899.192750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.192750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.192750 (E_RNA) where: Base-Base interactions energy: -1249.698 where: short stacking energy: -538.050 Base-Backbone interact. energy: -2.171 local terms energy: -647.324319 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -126.373 flat angles C4'-P-C4' energy: -149.434 flat angles P-C4'-P energy: -93.476 tors. eta vs tors. theta energy: -155.549 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: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1581.698442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.698442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.698442 (E_RNA) where: Base-Base interactions energy: -1009.186 where: short stacking energy: -459.840 Base-Backbone interact. energy: -3.553 local terms energy: -568.959956 where: bonds (distance) C4'-P energy: -120.038 bonds (distance) P-C4' energy: -120.290 flat angles C4'-P-C4' energy: -135.393 flat angles P-C4'-P energy: -64.579 tors. eta vs tors. theta energy: -128.660 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: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1474.641800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.641800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.641800 (E_RNA) where: Base-Base interactions energy: -985.773 where: short stacking energy: -444.584 Base-Backbone interact. energy: -2.813 local terms energy: -486.056607 where: bonds (distance) C4'-P energy: -104.803 bonds (distance) P-C4' energy: -102.522 flat angles C4'-P-C4' energy: -104.879 flat angles P-C4'-P energy: -68.918 tors. eta vs tors. theta energy: -104.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1288.462885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.462885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.462885 (E_RNA) where: Base-Base interactions energy: -800.505 where: short stacking energy: -370.611 Base-Backbone interact. energy: 3.261 local terms energy: -491.219345 where: bonds (distance) C4'-P energy: -103.943 bonds (distance) P-C4' energy: -122.130 flat angles C4'-P-C4' energy: -117.562 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -90.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1068.183568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.183568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.183568 (E_RNA) where: Base-Base interactions energy: -632.290 where: short stacking energy: -313.148 Base-Backbone interact. energy: -0.314 local terms energy: -435.579825 where: bonds (distance) C4'-P energy: -122.838 bonds (distance) P-C4' energy: -111.076 flat angles C4'-P-C4' energy: -96.914 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -44.689 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: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -787.404233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.404233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.404233 (E_RNA) where: Base-Base interactions energy: -426.823 where: short stacking energy: -219.079 Base-Backbone interact. energy: 2.291 local terms energy: -362.871524 where: bonds (distance) C4'-P energy: -99.043 bonds (distance) P-C4' energy: -103.565 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -67.425 tors. eta vs tors. theta energy: 3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2369.708002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.708002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.708002 (E_RNA) where: Base-Base interactions energy: -1630.682 where: short stacking energy: -680.279 Base-Backbone interact. energy: 0.587 local terms energy: -739.612767 where: bonds (distance) C4'-P energy: -123.188 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -160.976 flat angles P-C4'-P energy: -107.057 tors. eta vs tors. theta energy: -213.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2340.533939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.533939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.533939 (E_RNA) where: Base-Base interactions energy: -1623.372 where: short stacking energy: -682.220 Base-Backbone interact. energy: -4.122 local terms energy: -713.039366 where: bonds (distance) C4'-P energy: -137.625 bonds (distance) P-C4' energy: -133.088 flat angles C4'-P-C4' energy: -147.231 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -198.950 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: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2102.868497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.868497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.868497 (E_RNA) where: Base-Base interactions energy: -1428.408 where: short stacking energy: -588.083 Base-Backbone interact. energy: -3.529 local terms energy: -670.931380 where: bonds (distance) C4'-P energy: -135.706 bonds (distance) P-C4' energy: -140.437 flat angles C4'-P-C4' energy: -142.482 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -158.705 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: 1 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2017.165499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.165499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.165499 (E_RNA) where: Base-Base interactions energy: -1358.926 where: short stacking energy: -606.313 Base-Backbone interact. energy: -1.703 local terms energy: -656.536147 where: bonds (distance) C4'-P energy: -119.629 bonds (distance) P-C4' energy: -124.262 flat angles C4'-P-C4' energy: -140.526 flat angles P-C4'-P energy: -96.743 tors. eta vs tors. theta energy: -175.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1931.365587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.365587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.365587 (E_RNA) where: Base-Base interactions energy: -1318.954 where: short stacking energy: -552.417 Base-Backbone interact. energy: -3.778 local terms energy: -608.634167 where: bonds (distance) C4'-P energy: -128.613 bonds (distance) P-C4' energy: -105.772 flat angles C4'-P-C4' energy: -139.322 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -153.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1563.710781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.710781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.710781 (E_RNA) where: Base-Base interactions energy: -1019.224 where: short stacking energy: -439.859 Base-Backbone interact. energy: -3.511 local terms energy: -540.975612 where: bonds (distance) C4'-P energy: -119.567 bonds (distance) P-C4' energy: -105.240 flat angles C4'-P-C4' energy: -126.317 flat angles P-C4'-P energy: -87.321 tors. eta vs tors. theta energy: -102.531 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: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1529.307664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.307664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.307664 (E_RNA) where: Base-Base interactions energy: -975.213 where: short stacking energy: -442.888 Base-Backbone interact. energy: -1.660 local terms energy: -552.434299 where: bonds (distance) C4'-P energy: -111.904 bonds (distance) P-C4' energy: -120.115 flat angles C4'-P-C4' energy: -133.923 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -109.396 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: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1336.327584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.327584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.327584 (E_RNA) where: Base-Base interactions energy: -851.661 where: short stacking energy: -405.925 Base-Backbone interact. energy: -1.155 local terms energy: -483.511347 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -110.218 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -65.405 tors. eta vs tors. theta energy: -95.391 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: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1028.269809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.269809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.269809 (E_RNA) where: Base-Base interactions energy: -585.932 where: short stacking energy: -284.202 Base-Backbone interact. energy: -1.575 local terms energy: -440.763188 where: bonds (distance) C4'-P energy: -102.294 bonds (distance) P-C4' energy: -119.646 flat angles C4'-P-C4' energy: -100.639 flat angles P-C4'-P energy: -80.232 tors. eta vs tors. theta energy: -37.953 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: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -815.441133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.441133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.441133 (E_RNA) where: Base-Base interactions energy: -461.012 where: short stacking energy: -246.707 Base-Backbone interact. energy: 5.894 local terms energy: -360.323946 where: bonds (distance) C4'-P energy: -112.242 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: -12.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2344.014597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.014597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.014597 (E_RNA) where: Base-Base interactions energy: -1609.103 where: short stacking energy: -680.937 Base-Backbone interact. energy: -2.390 local terms energy: -732.521845 where: bonds (distance) C4'-P energy: -130.329 bonds (distance) P-C4' energy: -134.525 flat angles C4'-P-C4' energy: -147.626 flat angles P-C4'-P energy: -107.990 tors. eta vs tors. theta energy: -212.053 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2305.148001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.148001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.148001 (E_RNA) where: Base-Base interactions energy: -1610.625 where: short stacking energy: -668.217 Base-Backbone interact. energy: -3.272 local terms energy: -691.250236 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -127.611 flat angles C4'-P-C4' energy: -144.020 flat angles P-C4'-P energy: -106.821 tors. eta vs tors. theta energy: -192.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2111.261257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.261257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.261257 (E_RNA) where: Base-Base interactions energy: -1472.599 where: short stacking energy: -604.650 Base-Backbone interact. energy: -3.841 local terms energy: -634.821351 where: bonds (distance) C4'-P energy: -120.834 bonds (distance) P-C4' energy: -114.851 flat angles C4'-P-C4' energy: -140.276 flat angles P-C4'-P energy: -85.349 tors. eta vs tors. theta energy: -173.512 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: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1999.782507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.782507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.782507 (E_RNA) where: Base-Base interactions energy: -1354.125 where: short stacking energy: -593.371 Base-Backbone interact. energy: 0.155 local terms energy: -645.812219 where: bonds (distance) C4'-P energy: -115.746 bonds (distance) P-C4' energy: -137.266 flat angles C4'-P-C4' energy: -141.205 flat angles P-C4'-P energy: -84.257 tors. eta vs tors. theta energy: -167.338 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: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1956.368844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.368844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.368844 (E_RNA) where: Base-Base interactions energy: -1327.489 where: short stacking energy: -577.635 Base-Backbone interact. energy: 3.628 local terms energy: -632.507946 where: bonds (distance) C4'-P energy: -109.154 bonds (distance) P-C4' energy: -121.156 flat angles C4'-P-C4' energy: -137.094 flat angles P-C4'-P energy: -93.927 tors. eta vs tors. theta energy: -171.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1602.554983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.554983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.554983 (E_RNA) where: Base-Base interactions energy: -1034.512 where: short stacking energy: -475.435 Base-Backbone interact. energy: 0.525 local terms energy: -568.567986 where: bonds (distance) C4'-P energy: -120.928 bonds (distance) P-C4' energy: -103.632 flat angles C4'-P-C4' energy: -125.899 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -138.971 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: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1520.010457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.010457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.010457 (E_RNA) where: Base-Base interactions energy: -1010.366 where: short stacking energy: -451.946 Base-Backbone interact. energy: -0.492 local terms energy: -509.152245 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -120.185 flat angles C4'-P-C4' energy: -113.309 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -96.629 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: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1339.295256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.295256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.295256 (E_RNA) where: Base-Base interactions energy: -869.563 where: short stacking energy: -401.331 Base-Backbone interact. energy: -0.770 local terms energy: -468.962903 where: bonds (distance) C4'-P energy: -87.332 bonds (distance) P-C4' energy: -107.841 flat angles C4'-P-C4' energy: -125.827 flat angles P-C4'-P energy: -67.559 tors. eta vs tors. theta energy: -80.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -942.378427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.378427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.378427 (E_RNA) where: Base-Base interactions energy: -525.257 where: short stacking energy: -287.688 Base-Backbone interact. energy: -0.691 local terms energy: -416.430828 where: bonds (distance) C4'-P energy: -114.549 bonds (distance) P-C4' energy: -109.592 flat angles C4'-P-C4' energy: -110.262 flat angles P-C4'-P energy: -52.279 tors. eta vs tors. theta energy: -29.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -825.179367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.179367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.179367 (E_RNA) where: Base-Base interactions energy: -449.862 where: short stacking energy: -233.298 Base-Backbone interact. energy: -3.822 local terms energy: -371.494942 where: bonds (distance) C4'-P energy: -94.309 bonds (distance) P-C4' energy: -113.167 flat angles C4'-P-C4' energy: -111.018 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -10.220 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: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2379.529857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.529857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.529857 (E_RNA) where: Base-Base interactions energy: -1630.926 where: short stacking energy: -705.765 Base-Backbone interact. energy: -1.581 local terms energy: -747.021978 where: bonds (distance) C4'-P energy: -126.192 bonds (distance) P-C4' energy: -140.751 flat angles C4'-P-C4' energy: -150.862 flat angles P-C4'-P energy: -115.562 tors. eta vs tors. theta energy: -213.655 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: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2286.344855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.344855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.344855 (E_RNA) where: Base-Base interactions energy: -1593.754 where: short stacking energy: -649.815 Base-Backbone interact. energy: -4.735 local terms energy: -687.855229 where: bonds (distance) C4'-P energy: -129.264 bonds (distance) P-C4' energy: -125.768 flat angles C4'-P-C4' energy: -149.018 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -192.058 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: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2116.449528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.449528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.449528 (E_RNA) where: Base-Base interactions energy: -1480.481 where: short stacking energy: -596.183 Base-Backbone interact. energy: -2.828 local terms energy: -633.139977 where: bonds (distance) C4'-P energy: -106.761 bonds (distance) P-C4' energy: -130.157 flat angles C4'-P-C4' energy: -144.803 flat angles P-C4'-P energy: -78.308 tors. eta vs tors. theta energy: -173.111 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: 4, replica: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1962.249225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.249225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.249225 (E_RNA) where: Base-Base interactions energy: -1352.375 where: short stacking energy: -592.207 Base-Backbone interact. energy: -2.963 local terms energy: -606.911139 where: bonds (distance) C4'-P energy: -90.691 bonds (distance) P-C4' energy: -109.971 flat angles C4'-P-C4' energy: -141.823 flat angles P-C4'-P energy: -98.585 tors. eta vs tors. theta energy: -165.842 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: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1932.069471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.069471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.069471 (E_RNA) where: Base-Base interactions energy: -1311.885 where: short stacking energy: -595.196 Base-Backbone interact. energy: -1.714 local terms energy: -618.470037 where: bonds (distance) C4'-P energy: -104.322 bonds (distance) P-C4' energy: -122.555 flat angles C4'-P-C4' energy: -134.839 flat angles P-C4'-P energy: -98.134 tors. eta vs tors. theta energy: -158.620 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: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1592.131082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.131082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.131082 (E_RNA) where: Base-Base interactions energy: -1049.695 where: short stacking energy: -461.696 Base-Backbone interact. energy: 1.767 local terms energy: -544.202895 where: bonds (distance) C4'-P energy: -108.302 bonds (distance) P-C4' energy: -119.502 flat angles C4'-P-C4' energy: -122.211 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -112.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1590.015343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.015343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.015343 (E_RNA) where: Base-Base interactions energy: -1005.167 where: short stacking energy: -428.419 Base-Backbone interact. energy: -0.313 local terms energy: -584.534697 where: bonds (distance) C4'-P energy: -121.742 bonds (distance) P-C4' energy: -130.719 flat angles C4'-P-C4' energy: -129.471 flat angles P-C4'-P energy: -81.631 tors. eta vs tors. theta energy: -120.972 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: 8, replica: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1385.351630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.351630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.351630 (E_RNA) where: Base-Base interactions energy: -863.903 where: short stacking energy: -398.022 Base-Backbone interact. energy: -0.642 local terms energy: -520.805664 where: bonds (distance) C4'-P energy: -122.850 bonds (distance) P-C4' energy: -117.593 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -76.252 tors. eta vs tors. theta energy: -92.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -963.630508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.630508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.630508 (E_RNA) where: Base-Base interactions energy: -559.525 where: short stacking energy: -266.573 Base-Backbone interact. energy: 2.091 local terms energy: -406.196179 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -103.994 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -25.380 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: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -774.705785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.705785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.705785 (E_RNA) where: Base-Base interactions energy: -430.258 where: short stacking energy: -220.083 Base-Backbone interact. energy: -0.006 local terms energy: -344.441889 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -114.344 flat angles C4'-P-C4' energy: -77.833 flat angles P-C4'-P energy: -60.310 tors. eta vs tors. theta energy: 1.898 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: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2384.285117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.285117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.285117 (E_RNA) where: Base-Base interactions energy: -1633.808 where: short stacking energy: -694.929 Base-Backbone interact. energy: -2.635 local terms energy: -747.841877 where: bonds (distance) C4'-P energy: -125.646 bonds (distance) P-C4' energy: -134.762 flat angles C4'-P-C4' energy: -155.587 flat angles P-C4'-P energy: -109.291 tors. eta vs tors. theta energy: -222.556 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: 2, replica: 3 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2310.194219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.194219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.194219 (E_RNA) where: Base-Base interactions energy: -1617.248 where: short stacking energy: -658.073 Base-Backbone interact. energy: -2.336 local terms energy: -690.609761 where: bonds (distance) C4'-P energy: -128.330 bonds (distance) P-C4' energy: -116.517 flat angles C4'-P-C4' energy: -153.450 flat angles P-C4'-P energy: -95.308 tors. eta vs tors. theta energy: -197.005 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: 3, replica: 5 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2085.836683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.836683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.836683 (E_RNA) where: Base-Base interactions energy: -1438.945 where: short stacking energy: -590.187 Base-Backbone interact. energy: -2.162 local terms energy: -644.729262 where: bonds (distance) C4'-P energy: -129.669 bonds (distance) P-C4' energy: -131.761 flat angles C4'-P-C4' energy: -145.178 flat angles P-C4'-P energy: -73.136 tors. eta vs tors. theta energy: -164.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2014.486263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.486263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.486263 (E_RNA) where: Base-Base interactions energy: -1379.082 where: short stacking energy: -586.498 Base-Backbone interact. energy: -2.564 local terms energy: -632.840279 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -131.022 flat angles C4'-P-C4' energy: -143.801 flat angles P-C4'-P energy: -84.112 tors. eta vs tors. theta energy: -172.696 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: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1915.750238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.750238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.750238 (E_RNA) where: Base-Base interactions energy: -1290.955 where: short stacking energy: -567.045 Base-Backbone interact. energy: 0.817 local terms energy: -625.612923 where: bonds (distance) C4'-P energy: -117.766 bonds (distance) P-C4' energy: -119.133 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -89.235 tors. eta vs tors. theta energy: -158.976 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: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1595.287229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.287229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.287229 (E_RNA) where: Base-Base interactions energy: -1030.085 where: short stacking energy: -497.970 Base-Backbone interact. energy: 0.125 local terms energy: -565.327357 where: bonds (distance) C4'-P energy: -105.539 bonds (distance) P-C4' energy: -107.005 flat angles C4'-P-C4' energy: -132.853 flat angles P-C4'-P energy: -95.650 tors. eta vs tors. theta energy: -124.280 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: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1523.189531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.189531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.189531 (E_RNA) where: Base-Base interactions energy: -1011.800 where: short stacking energy: -455.484 Base-Backbone interact. energy: -1.261 local terms energy: -510.128753 where: bonds (distance) C4'-P energy: -85.797 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -130.116 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -107.650 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: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1364.606772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.606772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.606772 (E_RNA) where: Base-Base interactions energy: -831.412 where: short stacking energy: -377.362 Base-Backbone interact. energy: 4.622 local terms energy: -537.816605 where: bonds (distance) C4'-P energy: -131.390 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -135.423 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -76.849 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -952.695485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.695485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.695485 (E_RNA) where: Base-Base interactions energy: -525.998 where: short stacking energy: -269.148 Base-Backbone interact. energy: -2.001 local terms energy: -424.696752 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -100.641 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -34.604 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: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -706.919384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.919384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.919384 (E_RNA) where: Base-Base interactions energy: -354.586 where: short stacking energy: -194.419 Base-Backbone interact. energy: 11.840 local terms energy: -364.173418 where: bonds (distance) C4'-P energy: -98.735 bonds (distance) P-C4' energy: -113.921 flat angles C4'-P-C4' energy: -99.608 flat angles P-C4'-P energy: -60.223 tors. eta vs tors. theta energy: 8.313 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: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2364.936447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.936447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.936447 (E_RNA) where: Base-Base interactions energy: -1631.858 where: short stacking energy: -684.252 Base-Backbone interact. energy: -1.914 local terms energy: -731.164202 where: bonds (distance) C4'-P energy: -129.008 bonds (distance) P-C4' energy: -139.043 flat angles C4'-P-C4' energy: -154.453 flat angles P-C4'-P energy: -94.616 tors. eta vs tors. theta energy: -214.045 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: 2, replica: 3 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2273.735330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.735330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.735330 (E_RNA) where: Base-Base interactions energy: -1575.404 where: short stacking energy: -635.789 Base-Backbone interact. energy: -6.488 local terms energy: -691.842922 where: bonds (distance) C4'-P energy: -126.469 bonds (distance) P-C4' energy: -124.535 flat angles C4'-P-C4' energy: -152.871 flat angles P-C4'-P energy: -96.484 tors. eta vs tors. theta energy: -191.484 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: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2065.916763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.916763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.916763 (E_RNA) where: Base-Base interactions energy: -1400.801 where: short stacking energy: -576.104 Base-Backbone interact. energy: -3.033 local terms energy: -662.082307 where: bonds (distance) C4'-P energy: -130.436 bonds (distance) P-C4' energy: -133.471 flat angles C4'-P-C4' energy: -140.806 flat angles P-C4'-P energy: -90.754 tors. eta vs tors. theta energy: -166.616 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: 4, replica: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2028.633723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.633723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.633723 (E_RNA) where: Base-Base interactions energy: -1395.236 where: short stacking energy: -602.903 Base-Backbone interact. energy: -1.896 local terms energy: -631.501954 where: bonds (distance) C4'-P energy: -108.362 bonds (distance) P-C4' energy: -125.423 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -176.246 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: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1963.548673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.548673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.548673 (E_RNA) where: Base-Base interactions energy: -1342.162 where: short stacking energy: -561.753 Base-Backbone interact. energy: -1.908 local terms energy: -619.478306 where: bonds (distance) C4'-P energy: -115.594 bonds (distance) P-C4' energy: -118.728 flat angles C4'-P-C4' energy: -142.596 flat angles P-C4'-P energy: -84.689 tors. eta vs tors. theta energy: -157.872 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: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1654.626122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.626122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.626122 (E_RNA) where: Base-Base interactions energy: -1097.972 where: short stacking energy: -486.627 Base-Backbone interact. energy: -0.189 local terms energy: -556.464736 where: bonds (distance) C4'-P energy: -120.482 bonds (distance) P-C4' energy: -120.633 flat angles C4'-P-C4' energy: -125.135 flat angles P-C4'-P energy: -80.536 tors. eta vs tors. theta energy: -109.679 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: 235 Temperature: 1.200000 Total energy: -1503.533133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.533133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.533133 (E_RNA) where: Base-Base interactions energy: -947.128 where: short stacking energy: -423.389 Base-Backbone interact. energy: -2.592 local terms energy: -553.813877 where: bonds (distance) C4'-P energy: -111.373 bonds (distance) P-C4' energy: -125.380 flat angles C4'-P-C4' energy: -130.566 flat angles P-C4'-P energy: -76.264 tors. eta vs tors. theta energy: -110.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1287.272250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.272250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.272250 (E_RNA) where: Base-Base interactions energy: -830.930 where: short stacking energy: -375.199 Base-Backbone interact. energy: 1.018 local terms energy: -457.360869 where: bonds (distance) C4'-P energy: -96.620 bonds (distance) P-C4' energy: -104.492 flat angles C4'-P-C4' energy: -108.242 flat angles P-C4'-P energy: -79.179 tors. eta vs tors. theta energy: -68.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -994.026152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.026152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.026152 (E_RNA) where: Base-Base interactions energy: -554.690 where: short stacking energy: -278.553 Base-Backbone interact. energy: 2.543 local terms energy: -441.878566 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -109.780 flat angles C4'-P-C4' energy: -116.954 flat angles P-C4'-P energy: -72.383 tors. eta vs tors. theta energy: -22.359 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: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -764.932916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.932916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.932916 (E_RNA) where: Base-Base interactions energy: -384.164 where: short stacking energy: -236.373 Base-Backbone interact. energy: 0.735 local terms energy: -381.503828 where: bonds (distance) C4'-P energy: -102.404 bonds (distance) P-C4' energy: -127.241 flat angles C4'-P-C4' energy: -95.787 flat angles P-C4'-P energy: -47.843 tors. eta vs tors. theta energy: -8.229 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: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2374.980113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.980113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.980113 (E_RNA) where: Base-Base interactions energy: -1625.085 where: short stacking energy: -693.441 Base-Backbone interact. energy: -2.213 local terms energy: -747.682375 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -127.428 flat angles C4'-P-C4' energy: -151.501 flat angles P-C4'-P energy: -115.753 tors. eta vs tors. theta energy: -220.462 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: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2292.291256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.291256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.291256 (E_RNA) where: Base-Base interactions energy: -1588.058 where: short stacking energy: -652.501 Base-Backbone interact. energy: 3.053 local terms energy: -707.286262 where: bonds (distance) C4'-P energy: -130.270 bonds (distance) P-C4' energy: -140.766 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -90.358 tors. eta vs tors. theta energy: -203.161 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: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2080.953790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.953790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.953790 (E_RNA) where: Base-Base interactions energy: -1427.003 where: short stacking energy: -602.408 Base-Backbone interact. energy: 0.707 local terms energy: -654.657222 where: bonds (distance) C4'-P energy: -124.920 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -133.342 flat angles P-C4'-P energy: -89.711 tors. eta vs tors. theta energy: -161.185 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: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2048.078566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.078566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.078566 (E_RNA) where: Base-Base interactions energy: -1391.120 where: short stacking energy: -615.913 Base-Backbone interact. energy: 0.421 local terms energy: -657.379942 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -129.148 flat angles C4'-P-C4' energy: -141.992 flat angles P-C4'-P energy: -97.141 tors. eta vs tors. theta energy: -182.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1875.135303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.135303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.135303 (E_RNA) where: Base-Base interactions energy: -1280.628 where: short stacking energy: -556.716 Base-Backbone interact. energy: -2.207 local terms energy: -592.300796 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -126.523 flat angles C4'-P-C4' energy: -132.804 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -150.285 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: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1571.819219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.819219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.819219 (E_RNA) where: Base-Base interactions energy: -1030.763 where: short stacking energy: -473.891 Base-Backbone interact. energy: -1.233 local terms energy: -539.823902 where: bonds (distance) C4'-P energy: -110.469 bonds (distance) P-C4' energy: -111.474 flat angles C4'-P-C4' energy: -129.431 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -119.069 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1599.674671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.674671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.674671 (E_RNA) where: Base-Base interactions energy: -1089.097 where: short stacking energy: -441.889 Base-Backbone interact. energy: -2.996 local terms energy: -507.581715 where: bonds (distance) C4'-P energy: -98.981 bonds (distance) P-C4' energy: -102.666 flat angles C4'-P-C4' energy: -123.216 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -109.634 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: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1282.248703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.248703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.248703 (E_RNA) where: Base-Base interactions energy: -798.130 where: short stacking energy: -358.044 Base-Backbone interact. energy: -0.064 local terms energy: -484.054771 where: bonds (distance) C4'-P energy: -104.899 bonds (distance) P-C4' energy: -116.291 flat angles C4'-P-C4' energy: -110.704 flat angles P-C4'-P energy: -74.417 tors. eta vs tors. theta energy: -77.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -981.535137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.535137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.535137 (E_RNA) where: Base-Base interactions energy: -547.333 where: short stacking energy: -272.038 Base-Backbone interact. energy: -2.898 local terms energy: -431.304725 where: bonds (distance) C4'-P energy: -96.017 bonds (distance) P-C4' energy: -114.764 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -77.125 tors. eta vs tors. theta energy: -36.744 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: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -692.338206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.338206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.338206 (E_RNA) where: Base-Base interactions energy: -329.951 where: short stacking energy: -174.217 Base-Backbone interact. energy: 4.648 local terms energy: -367.035166 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -117.082 flat angles C4'-P-C4' energy: -91.921 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -10.908 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: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2385.185121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.185121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.185121 (E_RNA) where: Base-Base interactions energy: -1619.234 where: short stacking energy: -696.708 Base-Backbone interact. energy: -1.623 local terms energy: -764.328401 where: bonds (distance) C4'-P energy: -135.681 bonds (distance) P-C4' energy: -138.922 flat angles C4'-P-C4' energy: -156.777 flat angles P-C4'-P energy: -111.321 tors. eta vs tors. theta energy: -221.627 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2282.785718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.785718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.785718 (E_RNA) where: Base-Base interactions energy: -1595.863 where: short stacking energy: -670.598 Base-Backbone interact. energy: -4.107 local terms energy: -682.815954 where: bonds (distance) C4'-P energy: -131.577 bonds (distance) P-C4' energy: -126.099 flat angles C4'-P-C4' energy: -137.830 flat angles P-C4'-P energy: -87.608 tors. eta vs tors. theta energy: -199.702 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2098.427496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.427496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.427496 (E_RNA) where: Base-Base interactions energy: -1426.909 where: short stacking energy: -588.628 Base-Backbone interact. energy: 3.785 local terms energy: -675.303370 where: bonds (distance) C4'-P energy: -134.059 bonds (distance) P-C4' energy: -127.481 flat angles C4'-P-C4' energy: -152.077 flat angles P-C4'-P energy: -100.867 tors. eta vs tors. theta energy: -160.820 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: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2014.723936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.723936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.723936 (E_RNA) where: Base-Base interactions energy: -1369.721 where: short stacking energy: -598.690 Base-Backbone interact. energy: -3.683 local terms energy: -641.320232 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -123.671 flat angles P-C4'-P energy: -98.047 tors. eta vs tors. theta energy: -182.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1871.549374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.549374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.549374 (E_RNA) where: Base-Base interactions energy: -1233.520 where: short stacking energy: -529.944 Base-Backbone interact. energy: -0.842 local terms energy: -637.187381 where: bonds (distance) C4'-P energy: -136.182 bonds (distance) P-C4' energy: -122.997 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -92.031 tors. eta vs tors. theta energy: -142.345 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: 237 Temperature: 1.150000 Total energy: -1707.447526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.447526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.447526 (E_RNA) where: Base-Base interactions energy: -1154.199 where: short stacking energy: -478.977 Base-Backbone interact. energy: -2.227 local terms energy: -551.021439 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -108.541 flat angles C4'-P-C4' energy: -124.258 flat angles P-C4'-P energy: -60.578 tors. eta vs tors. theta energy: -135.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1519.004341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.004341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.004341 (E_RNA) where: Base-Base interactions energy: -987.304 where: short stacking energy: -439.582 Base-Backbone interact. energy: -2.947 local terms energy: -528.753935 where: bonds (distance) C4'-P energy: -127.360 bonds (distance) P-C4' energy: -121.662 flat angles C4'-P-C4' energy: -109.135 flat angles P-C4'-P energy: -66.167 tors. eta vs tors. theta energy: -104.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1299.680078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.680078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.680078 (E_RNA) where: Base-Base interactions energy: -842.760 where: short stacking energy: -364.725 Base-Backbone interact. energy: 0.215 local terms energy: -457.135708 where: bonds (distance) C4'-P energy: -119.808 bonds (distance) P-C4' energy: -114.501 flat angles C4'-P-C4' energy: -103.182 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -57.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -953.598272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.598272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.598272 (E_RNA) where: Base-Base interactions energy: -545.079 where: short stacking energy: -302.392 Base-Backbone interact. energy: 4.526 local terms energy: -413.045186 where: bonds (distance) C4'-P energy: -111.913 bonds (distance) P-C4' energy: -99.330 flat angles C4'-P-C4' energy: -100.041 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -49.665 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: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -664.173155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.173155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.173155 (E_RNA) where: Base-Base interactions energy: -310.441 where: short stacking energy: -172.383 Base-Backbone interact. energy: -0.052 local terms energy: -353.680550 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -116.528 flat angles C4'-P-C4' energy: -105.553 flat angles P-C4'-P energy: -57.979 tors. eta vs tors. theta energy: 22.399 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: 1, replica: 7 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2388.257053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.257053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.257053 (E_RNA) where: Base-Base interactions energy: -1622.983 where: short stacking energy: -691.367 Base-Backbone interact. energy: -3.704 local terms energy: -761.570283 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -142.000 flat angles C4'-P-C4' energy: -154.591 flat angles P-C4'-P energy: -111.493 tors. eta vs tors. theta energy: -224.263 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: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2260.324219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.324219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.324219 (E_RNA) where: Base-Base interactions energy: -1563.408 where: short stacking energy: -638.626 Base-Backbone interact. energy: -1.164 local terms energy: -695.752511 where: bonds (distance) C4'-P energy: -109.377 bonds (distance) P-C4' energy: -146.028 flat angles C4'-P-C4' energy: -151.467 flat angles P-C4'-P energy: -99.609 tors. eta vs tors. theta energy: -189.272 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: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2087.339131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.339131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.339131 (E_RNA) where: Base-Base interactions energy: -1422.298 where: short stacking energy: -594.994 Base-Backbone interact. energy: -3.306 local terms energy: -661.735037 where: bonds (distance) C4'-P energy: -131.545 bonds (distance) P-C4' energy: -133.671 flat angles C4'-P-C4' energy: -140.245 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -163.553 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: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2017.470275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.470275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.470275 (E_RNA) where: Base-Base interactions energy: -1376.483 where: short stacking energy: -599.428 Base-Backbone interact. energy: -4.302 local terms energy: -636.684770 where: bonds (distance) C4'-P energy: -120.882 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -81.594 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: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1797.452220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.452220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.452220 (E_RNA) where: Base-Base interactions energy: -1186.932 where: short stacking energy: -482.569 Base-Backbone interact. energy: 0.727 local terms energy: -611.247345 where: bonds (distance) C4'-P energy: -111.499 bonds (distance) P-C4' energy: -126.263 flat angles C4'-P-C4' energy: -136.802 flat angles P-C4'-P energy: -87.276 tors. eta vs tors. theta energy: -149.408 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: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1711.104969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.104969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.104969 (E_RNA) where: Base-Base interactions energy: -1130.280 where: short stacking energy: -500.622 Base-Backbone interact. energy: -4.249 local terms energy: -576.575977 where: bonds (distance) C4'-P energy: -123.713 bonds (distance) P-C4' energy: -128.446 flat angles C4'-P-C4' energy: -121.410 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -134.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1504.227582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.227582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.227582 (E_RNA) where: Base-Base interactions energy: -983.370 where: short stacking energy: -452.681 Base-Backbone interact. energy: -2.770 local terms energy: -518.087503 where: bonds (distance) C4'-P energy: -103.925 bonds (distance) P-C4' energy: -103.980 flat angles C4'-P-C4' energy: -132.212 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -109.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1318.945617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.945617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.945617 (E_RNA) where: Base-Base interactions energy: -821.736 where: short stacking energy: -399.841 Base-Backbone interact. energy: 2.989 local terms energy: -500.198878 where: bonds (distance) C4'-P energy: -105.375 bonds (distance) P-C4' energy: -111.522 flat angles C4'-P-C4' energy: -118.016 flat angles P-C4'-P energy: -74.461 tors. eta vs tors. theta energy: -90.825 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: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -971.222738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.222738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.222738 (E_RNA) where: Base-Base interactions energy: -540.790 where: short stacking energy: -299.483 Base-Backbone interact. energy: 2.228 local terms energy: -432.660564 where: bonds (distance) C4'-P energy: -96.209 bonds (distance) P-C4' energy: -116.004 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -44.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -651.783061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.783061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.783061 (E_RNA) where: Base-Base interactions energy: -322.686 where: short stacking energy: -193.200 Base-Backbone interact. energy: 4.463 local terms energy: -333.560284 where: bonds (distance) C4'-P energy: -94.926 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -74.413 flat angles P-C4'-P energy: -70.326 tors. eta vs tors. theta energy: 18.107 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: 7 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2383.254246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.254246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.254246 (E_RNA) where: Base-Base interactions energy: -1615.263 where: short stacking energy: -705.895 Base-Backbone interact. energy: -0.749 local terms energy: -767.242452 where: bonds (distance) C4'-P energy: -136.144 bonds (distance) P-C4' energy: -144.307 flat angles C4'-P-C4' energy: -160.325 flat angles P-C4'-P energy: -102.208 tors. eta vs tors. theta energy: -224.259 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: 2, replica: 3 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2268.111654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.111654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.111654 (E_RNA) where: Base-Base interactions energy: -1580.564 where: short stacking energy: -634.977 Base-Backbone interact. energy: -3.446 local terms energy: -684.102060 where: bonds (distance) C4'-P energy: -111.324 bonds (distance) P-C4' energy: -138.849 flat angles C4'-P-C4' energy: -145.862 flat angles P-C4'-P energy: -98.673 tors. eta vs tors. theta energy: -189.394 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: 3, replica: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2074.343286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.343286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.343286 (E_RNA) where: Base-Base interactions energy: -1435.104 where: short stacking energy: -586.344 Base-Backbone interact. energy: -2.216 local terms energy: -637.024172 where: bonds (distance) C4'-P energy: -107.534 bonds (distance) P-C4' energy: -128.095 flat angles C4'-P-C4' energy: -135.991 flat angles P-C4'-P energy: -100.311 tors. eta vs tors. theta energy: -165.093 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: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2003.917327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.917327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.917327 (E_RNA) where: Base-Base interactions energy: -1383.444 where: short stacking energy: -595.113 Base-Backbone interact. energy: -1.635 local terms energy: -618.838791 where: bonds (distance) C4'-P energy: -116.099 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -119.942 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -169.983 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: 1 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1823.890583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.890583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.890583 (E_RNA) where: Base-Base interactions energy: -1272.368 where: short stacking energy: -522.052 Base-Backbone interact. energy: -2.607 local terms energy: -548.915700 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -111.720 flat angles C4'-P-C4' energy: -136.589 flat angles P-C4'-P energy: -84.569 tors. eta vs tors. theta energy: -138.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1713.938922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.938922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.938922 (E_RNA) where: Base-Base interactions energy: -1167.035 where: short stacking energy: -512.398 Base-Backbone interact. energy: -1.424 local terms energy: -545.479857 where: bonds (distance) C4'-P energy: -94.877 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -115.516 flat angles P-C4'-P energy: -96.944 tors. eta vs tors. theta energy: -129.255 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: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1512.012180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.012180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.012180 (E_RNA) where: Base-Base interactions energy: -988.090 where: short stacking energy: -473.887 Base-Backbone interact. energy: 0.426 local terms energy: -524.348059 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -120.886 flat angles C4'-P-C4' energy: -127.097 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: -106.232 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: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1366.404892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.404892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.404892 (E_RNA) where: Base-Base interactions energy: -860.502 where: short stacking energy: -391.408 Base-Backbone interact. energy: 0.895 local terms energy: -506.797934 where: bonds (distance) C4'-P energy: -76.088 bonds (distance) P-C4' energy: -139.047 flat angles C4'-P-C4' energy: -131.045 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -83.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -971.666156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.666156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.666156 (E_RNA) where: Base-Base interactions energy: -573.551 where: short stacking energy: -281.459 Base-Backbone interact. energy: -0.264 local terms energy: -397.850821 where: bonds (distance) C4'-P energy: -104.421 bonds (distance) P-C4' energy: -104.525 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -51.609 tors. eta vs tors. theta energy: -38.125 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: 10, replica: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -670.607497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.607497 (E_RNA) where: Base-Base interactions energy: -334.855 where: short stacking energy: -177.371 Base-Backbone interact. energy: -0.830 local terms energy: -334.922881 where: bonds (distance) C4'-P energy: -97.785 bonds (distance) P-C4' energy: -124.930 flat angles C4'-P-C4' energy: -89.361 flat angles P-C4'-P energy: -50.940 tors. eta vs tors. theta energy: 28.094 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: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2381.003364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.003364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.003364 (E_RNA) where: Base-Base interactions energy: -1637.249 where: short stacking energy: -692.617 Base-Backbone interact. energy: -1.335 local terms energy: -742.418685 where: bonds (distance) C4'-P energy: -137.882 bonds (distance) P-C4' energy: -137.760 flat angles C4'-P-C4' energy: -157.389 flat angles P-C4'-P energy: -92.782 tors. eta vs tors. theta energy: -216.606 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: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2296.936284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.936284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.936284 (E_RNA) where: Base-Base interactions energy: -1615.876 where: short stacking energy: -665.486 Base-Backbone interact. energy: -3.218 local terms energy: -677.843055 where: bonds (distance) C4'-P energy: -113.245 bonds (distance) P-C4' energy: -129.860 flat angles C4'-P-C4' energy: -143.609 flat angles P-C4'-P energy: -97.178 tors. eta vs tors. theta energy: -193.950 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: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2084.212563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.212563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.212563 (E_RNA) where: Base-Base interactions energy: -1437.549 where: short stacking energy: -609.124 Base-Backbone interact. energy: 1.769 local terms energy: -648.432522 where: bonds (distance) C4'-P energy: -123.200 bonds (distance) P-C4' energy: -125.135 flat angles C4'-P-C4' energy: -146.805 flat angles P-C4'-P energy: -84.626 tors. eta vs tors. theta energy: -168.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1962.517768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.517768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.517768 (E_RNA) where: Base-Base interactions energy: -1334.766 where: short stacking energy: -578.556 Base-Backbone interact. energy: 1.031 local terms energy: -628.783504 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -114.916 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -152.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1837.066337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.066337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.066337 (E_RNA) where: Base-Base interactions energy: -1217.977 where: short stacking energy: -507.294 Base-Backbone interact. energy: -4.675 local terms energy: -614.415010 where: bonds (distance) C4'-P energy: -107.647 bonds (distance) P-C4' energy: -146.726 flat angles C4'-P-C4' energy: -122.609 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -147.383 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: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1750.894921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.894921 (E_RNA) where: Base-Base interactions energy: -1172.319 where: short stacking energy: -493.691 Base-Backbone interact. energy: 3.440 local terms energy: -582.016044 where: bonds (distance) C4'-P energy: -113.911 bonds (distance) P-C4' energy: -128.081 flat angles C4'-P-C4' energy: -124.208 flat angles P-C4'-P energy: -78.174 tors. eta vs tors. theta energy: -137.643 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: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1454.769946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.769946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.769946 (E_RNA) where: Base-Base interactions energy: -931.200 where: short stacking energy: -436.578 Base-Backbone interact. energy: 3.559 local terms energy: -527.128537 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -82.200 tors. eta vs tors. theta energy: -96.855 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1346.700893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.700893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.700893 (E_RNA) where: Base-Base interactions energy: -870.850 where: short stacking energy: -391.829 Base-Backbone interact. energy: 2.105 local terms energy: -477.956596 where: bonds (distance) C4'-P energy: -112.727 bonds (distance) P-C4' energy: -91.832 flat angles C4'-P-C4' energy: -123.688 flat angles P-C4'-P energy: -68.613 tors. eta vs tors. theta energy: -81.096 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: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -974.299976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.299976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.299976 (E_RNA) where: Base-Base interactions energy: -548.312 where: short stacking energy: -270.344 Base-Backbone interact. energy: 9.352 local terms energy: -435.340133 where: bonds (distance) C4'-P energy: -118.289 bonds (distance) P-C4' energy: -118.578 flat angles C4'-P-C4' energy: -118.396 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -34.099 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: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -705.830050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.830050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.830050 (E_RNA) where: Base-Base interactions energy: -349.665 where: short stacking energy: -184.221 Base-Backbone interact. energy: -1.941 local terms energy: -354.223851 where: bonds (distance) C4'-P energy: -101.439 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -87.665 flat angles P-C4'-P energy: -65.278 tors. eta vs tors. theta energy: 8.606 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2345.683372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.683372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.683372 (E_RNA) where: Base-Base interactions energy: -1599.480 where: short stacking energy: -697.055 Base-Backbone interact. energy: -3.725 local terms energy: -742.478226 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -141.415 flat angles C4'-P-C4' energy: -152.141 flat angles P-C4'-P energy: -100.203 tors. eta vs tors. theta energy: -213.295 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: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2263.404030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.404030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.404030 (E_RNA) where: Base-Base interactions energy: -1572.053 where: short stacking energy: -653.225 Base-Backbone interact. energy: -3.915 local terms energy: -687.435329 where: bonds (distance) C4'-P energy: -128.819 bonds (distance) P-C4' energy: -132.844 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -93.191 tors. eta vs tors. theta energy: -198.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2076.994741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.994741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.994741 (E_RNA) where: Base-Base interactions energy: -1430.957 where: short stacking energy: -603.678 Base-Backbone interact. energy: 8.943 local terms energy: -654.980765 where: bonds (distance) C4'-P energy: -134.816 bonds (distance) P-C4' energy: -134.888 flat angles C4'-P-C4' energy: -139.437 flat angles P-C4'-P energy: -88.333 tors. eta vs tors. theta energy: -157.506 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: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1960.876468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.876468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.876468 (E_RNA) where: Base-Base interactions energy: -1321.690 where: short stacking energy: -567.505 Base-Backbone interact. energy: 1.183 local terms energy: -640.369745 where: bonds (distance) C4'-P energy: -125.477 bonds (distance) P-C4' energy: -106.353 flat angles C4'-P-C4' energy: -139.367 flat angles P-C4'-P energy: -94.471 tors. eta vs tors. theta energy: -174.702 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: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1869.348890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.348890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.348890 (E_RNA) where: Base-Base interactions energy: -1272.386 where: short stacking energy: -523.486 Base-Backbone interact. energy: -3.985 local terms energy: -592.978067 where: bonds (distance) C4'-P energy: -116.518 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -137.224 flat angles P-C4'-P energy: -82.469 tors. eta vs tors. theta energy: -136.152 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: 241 Temperature: 1.150000 Total energy: -1745.932024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.932024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.932024 (E_RNA) where: Base-Base interactions energy: -1155.704 where: short stacking energy: -509.776 Base-Backbone interact. energy: -1.600 local terms energy: -588.627529 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -138.604 flat angles C4'-P-C4' energy: -124.240 flat angles P-C4'-P energy: -74.028 tors. eta vs tors. theta energy: -141.534 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: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1521.699773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.699773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.699773 (E_RNA) where: Base-Base interactions energy: -978.207 where: short stacking energy: -467.369 Base-Backbone interact. energy: 0.910 local terms energy: -544.402762 where: bonds (distance) C4'-P energy: -88.732 bonds (distance) P-C4' energy: -114.420 flat angles C4'-P-C4' energy: -134.592 flat angles P-C4'-P energy: -93.450 tors. eta vs tors. theta energy: -113.209 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: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1312.990798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.990798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.990798 (E_RNA) where: Base-Base interactions energy: -845.147 where: short stacking energy: -397.365 Base-Backbone interact. energy: 5.429 local terms energy: -473.272063 where: bonds (distance) C4'-P energy: -108.827 bonds (distance) P-C4' energy: -104.248 flat angles C4'-P-C4' energy: -112.665 flat angles P-C4'-P energy: -64.291 tors. eta vs tors. theta energy: -83.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1046.322980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.322980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.322980 (E_RNA) where: Base-Base interactions energy: -637.197 where: short stacking energy: -295.733 Base-Backbone interact. energy: 5.272 local terms energy: -414.397056 where: bonds (distance) C4'-P energy: -80.754 bonds (distance) P-C4' energy: -124.341 flat angles C4'-P-C4' energy: -100.572 flat angles P-C4'-P energy: -57.645 tors. eta vs tors. theta energy: -51.086 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: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -681.820138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.820138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.820138 (E_RNA) where: Base-Base interactions energy: -326.449 where: short stacking energy: -196.109 Base-Backbone interact. energy: 2.106 local terms energy: -357.477519 where: bonds (distance) C4'-P energy: -107.706 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -74.887 flat angles P-C4'-P energy: -43.697 tors. eta vs tors. theta energy: 7.870 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: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2353.702331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.702331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.702331 (E_RNA) where: Base-Base interactions energy: -1626.173 where: short stacking energy: -713.829 Base-Backbone interact. energy: -3.834 local terms energy: -723.696241 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -116.829 flat angles C4'-P-C4' energy: -162.819 flat angles P-C4'-P energy: -109.425 tors. eta vs tors. theta energy: -209.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2279.032763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.032763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.032763 (E_RNA) where: Base-Base interactions energy: -1593.071 where: short stacking energy: -652.440 Base-Backbone interact. energy: -2.308 local terms energy: -683.653840 where: bonds (distance) C4'-P energy: -132.301 bonds (distance) P-C4' energy: -122.337 flat angles C4'-P-C4' energy: -139.958 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -195.086 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2062.036921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.036921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.036921 (E_RNA) where: Base-Base interactions energy: -1414.394 where: short stacking energy: -548.278 Base-Backbone interact. energy: 0.728 local terms energy: -648.370471 where: bonds (distance) C4'-P energy: -114.377 bonds (distance) P-C4' energy: -137.316 flat angles C4'-P-C4' energy: -143.694 flat angles P-C4'-P energy: -101.350 tors. eta vs tors. theta energy: -151.633 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: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1966.458866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.458866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.458866 (E_RNA) where: Base-Base interactions energy: -1338.164 where: short stacking energy: -572.484 Base-Backbone interact. energy: -2.960 local terms energy: -625.334715 where: bonds (distance) C4'-P energy: -117.014 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -124.907 flat angles P-C4'-P energy: -100.270 tors. eta vs tors. theta energy: -158.414 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: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1847.874287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.874287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.874287 (E_RNA) where: Base-Base interactions energy: -1243.591 where: short stacking energy: -527.484 Base-Backbone interact. energy: 3.616 local terms energy: -607.899663 where: bonds (distance) C4'-P energy: -129.033 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -128.621 flat angles P-C4'-P energy: -78.350 tors. eta vs tors. theta energy: -145.963 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: 6, replica: 8 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1662.239033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.239033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.239033 (E_RNA) where: Base-Base interactions energy: -1074.638 where: short stacking energy: -470.704 Base-Backbone interact. energy: 0.675 local terms energy: -588.276753 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -124.309 flat angles C4'-P-C4' energy: -141.077 flat angles P-C4'-P energy: -81.870 tors. eta vs tors. theta energy: -125.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1432.808955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.808955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.808955 (E_RNA) where: Base-Base interactions energy: -917.576 where: short stacking energy: -419.702 Base-Backbone interact. energy: 0.393 local terms energy: -515.625365 where: bonds (distance) C4'-P energy: -119.265 bonds (distance) P-C4' energy: -100.464 flat angles C4'-P-C4' energy: -130.586 flat angles P-C4'-P energy: -77.576 tors. eta vs tors. theta energy: -87.734 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: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1337.423239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.423239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.423239 (E_RNA) where: Base-Base interactions energy: -857.580 where: short stacking energy: -390.825 Base-Backbone interact. energy: 1.388 local terms energy: -481.230412 where: bonds (distance) C4'-P energy: -113.276 bonds (distance) P-C4' energy: -107.470 flat angles C4'-P-C4' energy: -120.361 flat angles P-C4'-P energy: -66.073 tors. eta vs tors. theta energy: -74.051 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: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -954.151430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.151430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.151430 (E_RNA) where: Base-Base interactions energy: -562.069 where: short stacking energy: -261.770 Base-Backbone interact. energy: 3.597 local terms energy: -395.679911 where: bonds (distance) C4'-P energy: -108.528 bonds (distance) P-C4' energy: -106.347 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -47.870 tors. eta vs tors. theta energy: -37.437 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: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -694.047012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.047012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.047012 (E_RNA) where: Base-Base interactions energy: -339.143 where: short stacking energy: -202.950 Base-Backbone interact. energy: -1.404 local terms energy: -353.499884 where: bonds (distance) C4'-P energy: -104.592 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -82.308 flat angles P-C4'-P energy: -59.401 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2357.015431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.015431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.015431 (E_RNA) where: Base-Base interactions energy: -1600.549 where: short stacking energy: -688.006 Base-Backbone interact. energy: -2.266 local terms energy: -754.200327 where: bonds (distance) C4'-P energy: -121.131 bonds (distance) P-C4' energy: -145.372 flat angles C4'-P-C4' energy: -162.123 flat angles P-C4'-P energy: -108.405 tors. eta vs tors. theta energy: -217.169 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: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2272.786087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.786087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.786087 (E_RNA) where: Base-Base interactions energy: -1588.269 where: short stacking energy: -642.470 Base-Backbone interact. energy: -1.804 local terms energy: -682.712967 where: bonds (distance) C4'-P energy: -126.642 bonds (distance) P-C4' energy: -125.689 flat angles C4'-P-C4' energy: -148.084 flat angles P-C4'-P energy: -95.766 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: 3, replica: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2031.432579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.432579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.432579 (E_RNA) where: Base-Base interactions energy: -1405.373 where: short stacking energy: -556.766 Base-Backbone interact. energy: -3.353 local terms energy: -622.706390 where: bonds (distance) C4'-P energy: -134.061 bonds (distance) P-C4' energy: -130.481 flat angles C4'-P-C4' energy: -129.987 flat angles P-C4'-P energy: -94.795 tors. eta vs tors. theta energy: -133.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1954.990137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.990137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.990137 (E_RNA) where: Base-Base interactions energy: -1324.826 where: short stacking energy: -581.726 Base-Backbone interact. energy: -3.668 local terms energy: -626.496313 where: bonds (distance) C4'-P energy: -121.757 bonds (distance) P-C4' energy: -117.003 flat angles C4'-P-C4' energy: -146.576 flat angles P-C4'-P energy: -86.835 tors. eta vs tors. theta energy: -154.325 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: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1896.449464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.449464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.449464 (E_RNA) where: Base-Base interactions energy: -1275.022 where: short stacking energy: -553.912 Base-Backbone interact. energy: -0.507 local terms energy: -620.920446 where: bonds (distance) C4'-P energy: -125.072 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -144.509 flat angles P-C4'-P energy: -78.209 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: 6, replica: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1718.701607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.701607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.701607 (E_RNA) where: Base-Base interactions energy: -1154.165 where: short stacking energy: -520.163 Base-Backbone interact. energy: -1.611 local terms energy: -562.925629 where: bonds (distance) C4'-P energy: -105.267 bonds (distance) P-C4' energy: -115.806 flat angles C4'-P-C4' energy: -128.411 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -142.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1467.979631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.979631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.979631 (E_RNA) where: Base-Base interactions energy: -916.703 where: short stacking energy: -412.659 Base-Backbone interact. energy: 2.672 local terms energy: -553.948034 where: bonds (distance) C4'-P energy: -116.818 bonds (distance) P-C4' energy: -127.493 flat angles C4'-P-C4' energy: -122.168 flat angles P-C4'-P energy: -81.274 tors. eta vs tors. theta energy: -106.194 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: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1393.222220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.222220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.222220 (E_RNA) where: Base-Base interactions energy: -886.716 where: short stacking energy: -405.983 Base-Backbone interact. energy: 1.104 local terms energy: -507.610689 where: bonds (distance) C4'-P energy: -108.535 bonds (distance) P-C4' energy: -119.036 flat angles C4'-P-C4' energy: -125.775 flat angles P-C4'-P energy: -71.671 tors. eta vs tors. theta energy: -82.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -919.758055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.758055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.758055 (E_RNA) where: Base-Base interactions energy: -515.838 where: short stacking energy: -264.921 Base-Backbone interact. energy: 5.728 local terms energy: -409.648187 where: bonds (distance) C4'-P energy: -96.442 bonds (distance) P-C4' energy: -119.386 flat angles C4'-P-C4' energy: -84.048 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -36.718 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: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -727.590412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.590412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.590412 (E_RNA) where: Base-Base interactions energy: -352.114 where: short stacking energy: -208.421 Base-Backbone interact. energy: -0.724 local terms energy: -374.751782 where: bonds (distance) C4'-P energy: -112.243 bonds (distance) P-C4' energy: -102.909 flat angles C4'-P-C4' energy: -88.193 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -14.844 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: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2405.445842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.445842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.445842 (E_RNA) where: Base-Base interactions energy: -1664.081 where: short stacking energy: -685.701 Base-Backbone interact. energy: -3.338 local terms energy: -738.026792 where: bonds (distance) C4'-P energy: -144.152 bonds (distance) P-C4' energy: -123.094 flat angles C4'-P-C4' energy: -153.741 flat angles P-C4'-P energy: -112.054 tors. eta vs tors. theta energy: -204.987 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: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2235.782943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.782943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.782943 (E_RNA) where: Base-Base interactions energy: -1556.088 where: short stacking energy: -623.329 Base-Backbone interact. energy: -1.295 local terms energy: -678.400426 where: bonds (distance) C4'-P energy: -131.602 bonds (distance) P-C4' energy: -130.516 flat angles C4'-P-C4' energy: -140.075 flat angles P-C4'-P energy: -96.977 tors. eta vs tors. theta energy: -179.229 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: 3, replica: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2069.274637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.274637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.274637 (E_RNA) where: Base-Base interactions energy: -1441.358 where: short stacking energy: -586.722 Base-Backbone interact. energy: -1.508 local terms energy: -626.408930 where: bonds (distance) C4'-P energy: -122.514 bonds (distance) P-C4' energy: -129.679 flat angles C4'-P-C4' energy: -134.527 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -158.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1978.357456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.357456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.357456 (E_RNA) where: Base-Base interactions energy: -1356.506 where: short stacking energy: -573.389 Base-Backbone interact. energy: -1.465 local terms energy: -620.387330 where: bonds (distance) C4'-P energy: -116.867 bonds (distance) P-C4' energy: -124.759 flat angles C4'-P-C4' energy: -127.027 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -168.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1901.514109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.514109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.514109 (E_RNA) where: Base-Base interactions energy: -1287.237 where: short stacking energy: -583.829 Base-Backbone interact. energy: -1.005 local terms energy: -613.272100 where: bonds (distance) C4'-P energy: -102.836 bonds (distance) P-C4' energy: -114.327 flat angles C4'-P-C4' energy: -139.644 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -174.496 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: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1648.448175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.448175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.448175 (E_RNA) where: Base-Base interactions energy: -1076.540 where: short stacking energy: -481.920 Base-Backbone interact. energy: -1.198 local terms energy: -570.709745 where: bonds (distance) C4'-P energy: -120.143 bonds (distance) P-C4' energy: -112.440 flat angles C4'-P-C4' energy: -126.090 flat angles P-C4'-P energy: -87.339 tors. eta vs tors. theta energy: -124.698 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: 7, replica: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1552.813926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.813926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.813926 (E_RNA) where: Base-Base interactions energy: -1011.505 where: short stacking energy: -451.564 Base-Backbone interact. energy: -1.536 local terms energy: -539.772737 where: bonds (distance) C4'-P energy: -102.813 bonds (distance) P-C4' energy: -118.113 flat angles C4'-P-C4' energy: -115.858 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -121.770 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: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1378.152851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.152851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.152851 (E_RNA) where: Base-Base interactions energy: -868.268 where: short stacking energy: -408.018 Base-Backbone interact. energy: 2.189 local terms energy: -512.074283 where: bonds (distance) C4'-P energy: -111.647 bonds (distance) P-C4' energy: -116.589 flat angles C4'-P-C4' energy: -128.069 flat angles P-C4'-P energy: -63.207 tors. eta vs tors. theta energy: -92.562 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: 9, replica: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -945.254671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.254671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.254671 (E_RNA) where: Base-Base interactions energy: -556.151 where: short stacking energy: -288.021 Base-Backbone interact. energy: 2.332 local terms energy: -391.436408 where: bonds (distance) C4'-P energy: -98.840 bonds (distance) P-C4' energy: -106.745 flat angles C4'-P-C4' energy: -112.840 flat angles P-C4'-P energy: -48.794 tors. eta vs tors. theta energy: -24.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -702.355036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.355036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.355036 (E_RNA) where: Base-Base interactions energy: -318.870 where: short stacking energy: -191.688 Base-Backbone interact. energy: -0.157 local terms energy: -383.328179 where: bonds (distance) C4'-P energy: -123.416 bonds (distance) P-C4' energy: -104.062 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: 5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2408.043684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.043684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.043684 (E_RNA) where: Base-Base interactions energy: -1672.955 where: short stacking energy: -693.193 Base-Backbone interact. energy: -3.145 local terms energy: -731.943657 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -126.013 flat angles C4'-P-C4' energy: -155.634 flat angles P-C4'-P energy: -111.149 tors. eta vs tors. theta energy: -210.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2272.435751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.435751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.435751 (E_RNA) where: Base-Base interactions energy: -1600.074 where: short stacking energy: -663.179 Base-Backbone interact. energy: 4.098 local terms energy: -676.459640 where: bonds (distance) C4'-P energy: -109.744 bonds (distance) P-C4' energy: -134.332 flat angles C4'-P-C4' energy: -147.053 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -191.486 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: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2071.865766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.865766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.865766 (E_RNA) where: Base-Base interactions energy: -1427.597 where: short stacking energy: -589.754 Base-Backbone interact. energy: -2.056 local terms energy: -642.212482 where: bonds (distance) C4'-P energy: -124.032 bonds (distance) P-C4' energy: -122.537 flat angles C4'-P-C4' energy: -136.785 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -162.268 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: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1978.850395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.850395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.850395 (E_RNA) where: Base-Base interactions energy: -1341.423 where: short stacking energy: -601.876 Base-Backbone interact. energy: 0.640 local terms energy: -638.066560 where: bonds (distance) C4'-P energy: -117.900 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -143.146 flat angles P-C4'-P energy: -79.103 tors. eta vs tors. theta energy: -171.625 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: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1948.564695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.564695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.564695 (E_RNA) where: Base-Base interactions energy: -1329.749 where: short stacking energy: -584.932 Base-Backbone interact. energy: 0.182 local terms energy: -618.997193 where: bonds (distance) C4'-P energy: -123.312 bonds (distance) P-C4' energy: -110.583 flat angles C4'-P-C4' energy: -128.359 flat angles P-C4'-P energy: -81.345 tors. eta vs tors. theta energy: -175.399 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: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1629.819116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.819116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.819116 (E_RNA) where: Base-Base interactions energy: -1064.178 where: short stacking energy: -466.335 Base-Backbone interact. energy: -4.125 local terms energy: -561.515993 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -120.518 flat angles C4'-P-C4' energy: -127.367 flat angles P-C4'-P energy: -81.979 tors. eta vs tors. theta energy: -118.029 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1598.463928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.463928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.463928 (E_RNA) where: Base-Base interactions energy: -1071.613 where: short stacking energy: -473.902 Base-Backbone interact. energy: 1.577 local terms energy: -528.428295 where: bonds (distance) C4'-P energy: -103.117 bonds (distance) P-C4' energy: -122.460 flat angles C4'-P-C4' energy: -107.149 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: -114.908 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: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1378.949770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.949770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.949770 (E_RNA) where: Base-Base interactions energy: -863.203 where: short stacking energy: -408.403 Base-Backbone interact. energy: -1.924 local terms energy: -513.822551 where: bonds (distance) C4'-P energy: -110.200 bonds (distance) P-C4' energy: -109.363 flat angles C4'-P-C4' energy: -124.557 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: -99.759 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: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -936.034521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.034521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.034521 (E_RNA) where: Base-Base interactions energy: -548.817 where: short stacking energy: -285.741 Base-Backbone interact. energy: -0.508 local terms energy: -386.709820 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -119.457 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -37.920 tors. eta vs tors. theta energy: -48.163 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: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -650.992803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.992803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.992803 (E_RNA) where: Base-Base interactions energy: -302.803 where: short stacking energy: -182.137 Base-Backbone interact. energy: 0.804 local terms energy: -348.993627 where: bonds (distance) C4'-P energy: -125.700 bonds (distance) P-C4' energy: -104.414 flat angles C4'-P-C4' energy: -91.949 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: 15.947 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: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2416.430700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.430700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.430700 (E_RNA) where: Base-Base interactions energy: -1666.503 where: short stacking energy: -715.011 Base-Backbone interact. energy: -3.352 local terms energy: -746.575214 where: bonds (distance) C4'-P energy: -140.619 bonds (distance) P-C4' energy: -131.053 flat angles C4'-P-C4' energy: -153.809 flat angles P-C4'-P energy: -105.387 tors. eta vs tors. theta energy: -215.707 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: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2242.726820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.726820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.726820 (E_RNA) where: Base-Base interactions energy: -1595.872 where: short stacking energy: -626.801 Base-Backbone interact. energy: -1.716 local terms energy: -645.139260 where: bonds (distance) C4'-P energy: -123.766 bonds (distance) P-C4' energy: -121.272 flat angles C4'-P-C4' energy: -133.929 flat angles P-C4'-P energy: -91.436 tors. eta vs tors. theta energy: -174.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2149.290717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.290717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.290717 (E_RNA) where: Base-Base interactions energy: -1500.259 where: short stacking energy: -611.340 Base-Backbone interact. energy: -4.979 local terms energy: -644.052741 where: bonds (distance) C4'-P energy: -121.382 bonds (distance) P-C4' energy: -137.011 flat angles C4'-P-C4' energy: -139.022 flat angles P-C4'-P energy: -77.919 tors. eta vs tors. theta energy: -168.720 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: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1991.391249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.391249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.391249 (E_RNA) where: Base-Base interactions energy: -1330.591 where: short stacking energy: -590.587 Base-Backbone interact. energy: -1.350 local terms energy: -659.450042 where: bonds (distance) C4'-P energy: -121.179 bonds (distance) P-C4' energy: -124.669 flat angles C4'-P-C4' energy: -157.380 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -165.121 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: 246 Temperature: 1.100000 Total energy: -1950.001158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.001158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.001158 (E_RNA) where: Base-Base interactions energy: -1308.233 where: short stacking energy: -577.129 Base-Backbone interact. energy: -0.972 local terms energy: -640.795395 where: bonds (distance) C4'-P energy: -112.561 bonds (distance) P-C4' energy: -121.428 flat angles C4'-P-C4' energy: -139.597 flat angles P-C4'-P energy: -95.496 tors. eta vs tors. theta energy: -171.713 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: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1668.214742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.214742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.214742 (E_RNA) where: Base-Base interactions energy: -1111.639 where: short stacking energy: -496.758 Base-Backbone interact. energy: 1.504 local terms energy: -558.079713 where: bonds (distance) C4'-P energy: -132.499 bonds (distance) P-C4' energy: -105.654 flat angles C4'-P-C4' energy: -116.562 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -123.228 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: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1578.823648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.823648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.823648 (E_RNA) where: Base-Base interactions energy: -1054.306 where: short stacking energy: -436.936 Base-Backbone interact. energy: -1.621 local terms energy: -522.896505 where: bonds (distance) C4'-P energy: -101.274 bonds (distance) P-C4' energy: -127.632 flat angles C4'-P-C4' energy: -114.525 flat angles P-C4'-P energy: -74.419 tors. eta vs tors. theta energy: -105.046 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: 246 Temperature: 1.250000 Total energy: -1315.403928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.403928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.403928 (E_RNA) where: Base-Base interactions energy: -815.175 where: short stacking energy: -422.392 Base-Backbone interact. energy: -2.754 local terms energy: -497.475052 where: bonds (distance) C4'-P energy: -102.480 bonds (distance) P-C4' energy: -109.445 flat angles C4'-P-C4' energy: -106.033 flat angles P-C4'-P energy: -64.716 tors. eta vs tors. theta energy: -114.801 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: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -869.282437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.282437 (E_RNA) where: Base-Base interactions energy: -478.991 where: short stacking energy: -257.081 Base-Backbone interact. energy: 2.066 local terms energy: -392.357478 where: bonds (distance) C4'-P energy: -85.875 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -110.982 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -25.162 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: 4 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -676.704076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.704076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.704076 (E_RNA) where: Base-Base interactions energy: -322.719 where: short stacking energy: -190.915 Base-Backbone interact. energy: -1.692 local terms energy: -352.293092 where: bonds (distance) C4'-P energy: -117.417 bonds (distance) P-C4' energy: -102.834 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -5.279 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: 1, replica: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2397.298745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.298745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.298745 (E_RNA) where: Base-Base interactions energy: -1658.608 where: short stacking energy: -693.036 Base-Backbone interact. energy: -5.119 local terms energy: -733.571718 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -140.568 flat angles C4'-P-C4' energy: -150.629 flat angles P-C4'-P energy: -100.933 tors. eta vs tors. theta energy: -209.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2256.053631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.053631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.053631 (E_RNA) where: Base-Base interactions energy: -1558.253 where: short stacking energy: -629.907 Base-Backbone interact. energy: -3.316 local terms energy: -694.485366 where: bonds (distance) C4'-P energy: -133.413 bonds (distance) P-C4' energy: -139.572 flat angles C4'-P-C4' energy: -149.264 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -182.951 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: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2097.752598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.752598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.752598 (E_RNA) where: Base-Base interactions energy: -1470.883 where: short stacking energy: -607.241 Base-Backbone interact. energy: -2.975 local terms energy: -623.894200 where: bonds (distance) C4'-P energy: -126.120 bonds (distance) P-C4' energy: -122.593 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -87.116 tors. eta vs tors. theta energy: -146.526 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: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1987.920934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.920934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.920934 (E_RNA) where: Base-Base interactions energy: -1345.737 where: short stacking energy: -598.063 Base-Backbone interact. energy: -2.001 local terms energy: -640.183428 where: bonds (distance) C4'-P energy: -129.420 bonds (distance) P-C4' energy: -110.963 flat angles C4'-P-C4' energy: -128.536 flat angles P-C4'-P energy: -98.149 tors. eta vs tors. theta energy: -173.115 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: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1921.325711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.325711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.325711 (E_RNA) where: Base-Base interactions energy: -1299.270 where: short stacking energy: -567.225 Base-Backbone interact. energy: 4.249 local terms energy: -626.304386 where: bonds (distance) C4'-P energy: -113.868 bonds (distance) P-C4' energy: -123.587 flat angles C4'-P-C4' energy: -130.779 flat angles P-C4'-P energy: -98.186 tors. eta vs tors. theta energy: -159.884 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: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1712.357733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.357733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.357733 (E_RNA) where: Base-Base interactions energy: -1151.866 where: short stacking energy: -498.395 Base-Backbone interact. energy: -3.589 local terms energy: -556.902963 where: bonds (distance) C4'-P energy: -112.681 bonds (distance) P-C4' energy: -109.441 flat angles C4'-P-C4' energy: -127.817 flat angles P-C4'-P energy: -75.254 tors. eta vs tors. theta energy: -131.711 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: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1580.261114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.261114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.261114 (E_RNA) where: Base-Base interactions energy: -1051.044 where: short stacking energy: -467.595 Base-Backbone interact. energy: -3.098 local terms energy: -526.118986 where: bonds (distance) C4'-P energy: -123.613 bonds (distance) P-C4' energy: -116.739 flat angles C4'-P-C4' energy: -99.808 flat angles P-C4'-P energy: -67.313 tors. eta vs tors. theta energy: -118.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1307.370121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.370121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.370121 (E_RNA) where: Base-Base interactions energy: -829.953 where: short stacking energy: -380.595 Base-Backbone interact. energy: 0.749 local terms energy: -478.166511 where: bonds (distance) C4'-P energy: -112.790 bonds (distance) P-C4' energy: -78.862 flat angles C4'-P-C4' energy: -131.284 flat angles P-C4'-P energy: -78.834 tors. eta vs tors. theta energy: -76.397 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -860.231556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.231556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.231556 (E_RNA) where: Base-Base interactions energy: -477.684 where: short stacking energy: -242.783 Base-Backbone interact. energy: 2.148 local terms energy: -384.695509 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -116.327 flat angles C4'-P-C4' energy: -97.872 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -15.514 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: 4 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -642.211129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.211129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.211129 (E_RNA) where: Base-Base interactions energy: -288.299 where: short stacking energy: -174.012 Base-Backbone interact. energy: -0.224 local terms energy: -353.688786 where: bonds (distance) C4'-P energy: -122.995 bonds (distance) P-C4' energy: -121.350 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: 26.425 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: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2387.969330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.969330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.969330 (E_RNA) where: Base-Base interactions energy: -1645.327 where: short stacking energy: -680.761 Base-Backbone interact. energy: -0.015 local terms energy: -742.627118 where: bonds (distance) C4'-P energy: -134.006 bonds (distance) P-C4' energy: -133.540 flat angles C4'-P-C4' energy: -145.762 flat angles P-C4'-P energy: -114.877 tors. eta vs tors. theta energy: -214.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2274.715064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.715064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.715064 (E_RNA) where: Base-Base interactions energy: -1591.380 where: short stacking energy: -646.638 Base-Backbone interact. energy: -5.291 local terms energy: -678.043747 where: bonds (distance) C4'-P energy: -135.912 bonds (distance) P-C4' energy: -120.602 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -102.697 tors. eta vs tors. theta energy: -173.511 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: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2095.736835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.736835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.736835 (E_RNA) where: Base-Base interactions energy: -1455.979 where: short stacking energy: -592.790 Base-Backbone interact. energy: -4.960 local terms energy: -634.797857 where: bonds (distance) C4'-P energy: -107.352 bonds (distance) P-C4' energy: -141.369 flat angles C4'-P-C4' energy: -143.589 flat angles P-C4'-P energy: -78.226 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: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2019.812909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.812909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.812909 (E_RNA) where: Base-Base interactions energy: -1391.459 where: short stacking energy: -600.520 Base-Backbone interact. energy: 1.460 local terms energy: -629.813747 where: bonds (distance) C4'-P energy: -128.975 bonds (distance) P-C4' energy: -97.958 flat angles C4'-P-C4' energy: -132.042 flat angles P-C4'-P energy: -108.285 tors. eta vs tors. theta energy: -162.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1944.668084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.668084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.668084 (E_RNA) where: Base-Base interactions energy: -1309.516 where: short stacking energy: -550.947 Base-Backbone interact. energy: -1.992 local terms energy: -633.160420 where: bonds (distance) C4'-P energy: -122.099 bonds (distance) P-C4' energy: -123.993 flat angles C4'-P-C4' energy: -146.778 flat angles P-C4'-P energy: -89.771 tors. eta vs tors. theta energy: -150.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1679.832321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.832321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.832321 (E_RNA) where: Base-Base interactions energy: -1123.560 where: short stacking energy: -495.215 Base-Backbone interact. energy: 1.079 local terms energy: -557.350656 where: bonds (distance) C4'-P energy: -109.961 bonds (distance) P-C4' energy: -103.531 flat angles C4'-P-C4' energy: -133.435 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -126.301 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: 248 Temperature: 1.200000 Total energy: -1566.259437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.259437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.259437 (E_RNA) where: Base-Base interactions energy: -1025.611 where: short stacking energy: -459.323 Base-Backbone interact. energy: -0.927 local terms energy: -539.721778 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -110.066 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -82.241 tors. eta vs tors. theta energy: -119.715 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: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1302.788622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.788622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.788622 (E_RNA) where: Base-Base interactions energy: -803.867 where: short stacking energy: -392.368 Base-Backbone interact. energy: -1.605 local terms energy: -497.316527 where: bonds (distance) C4'-P energy: -104.231 bonds (distance) P-C4' energy: -111.971 flat angles C4'-P-C4' energy: -120.693 flat angles P-C4'-P energy: -75.249 tors. eta vs tors. theta energy: -85.172 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: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -912.550151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.550151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.550151 (E_RNA) where: Base-Base interactions energy: -516.084 where: short stacking energy: -271.397 Base-Backbone interact. energy: 1.045 local terms energy: -397.511011 where: bonds (distance) C4'-P energy: -94.150 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -110.115 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -25.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -660.471482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.471482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.471482 (E_RNA) where: Base-Base interactions energy: -309.301 where: short stacking energy: -186.137 Base-Backbone interact. energy: -0.215 local terms energy: -350.956170 where: bonds (distance) C4'-P energy: -114.079 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -108.135 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: 14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2374.656528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.656528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.656528 (E_RNA) where: Base-Base interactions energy: -1636.362 where: short stacking energy: -686.484 Base-Backbone interact. energy: -4.387 local terms energy: -733.907421 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -142.635 flat angles C4'-P-C4' energy: -161.923 flat angles P-C4'-P energy: -98.780 tors. eta vs tors. theta energy: -204.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2263.918610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.918610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.918610 (E_RNA) where: Base-Base interactions energy: -1598.751 where: short stacking energy: -657.997 Base-Backbone interact. energy: -2.219 local terms energy: -662.947746 where: bonds (distance) C4'-P energy: -126.734 bonds (distance) P-C4' energy: -126.020 flat angles C4'-P-C4' energy: -131.822 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -178.586 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: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2100.343082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.343082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.343082 (E_RNA) where: Base-Base interactions energy: -1484.936 where: short stacking energy: -601.166 Base-Backbone interact. energy: -2.128 local terms energy: -613.279990 where: bonds (distance) C4'-P energy: -120.522 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -127.458 flat angles P-C4'-P energy: -87.956 tors. eta vs tors. theta energy: -153.946 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: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2035.002397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.002397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.002397 (E_RNA) where: Base-Base interactions energy: -1403.884 where: short stacking energy: -589.210 Base-Backbone interact. energy: 0.045 local terms energy: -631.163311 where: bonds (distance) C4'-P energy: -114.752 bonds (distance) P-C4' energy: -115.272 flat angles C4'-P-C4' energy: -135.452 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -178.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1951.045944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.045944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.045944 (E_RNA) where: Base-Base interactions energy: -1287.826 where: short stacking energy: -577.476 Base-Backbone interact. energy: -3.938 local terms energy: -659.282195 where: bonds (distance) C4'-P energy: -132.272 bonds (distance) P-C4' energy: -127.475 flat angles C4'-P-C4' energy: -137.228 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -166.078 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: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1684.696652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.696652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.696652 (E_RNA) where: Base-Base interactions energy: -1100.304 where: short stacking energy: -496.482 Base-Backbone interact. energy: -1.186 local terms energy: -583.207089 where: bonds (distance) C4'-P energy: -117.268 bonds (distance) P-C4' energy: -117.474 flat angles C4'-P-C4' energy: -137.083 flat angles P-C4'-P energy: -78.799 tors. eta vs tors. theta energy: -132.582 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: 249 Temperature: 1.200000 Total energy: -1599.365511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.365511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.365511 (E_RNA) where: Base-Base interactions energy: -1092.456 where: short stacking energy: -460.149 Base-Backbone interact. energy: -1.317 local terms energy: -505.591657 where: bonds (distance) C4'-P energy: -96.336 bonds (distance) P-C4' energy: -115.362 flat angles C4'-P-C4' energy: -111.973 flat angles P-C4'-P energy: -82.626 tors. eta vs tors. theta energy: -99.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1317.627812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.627812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.627812 (E_RNA) where: Base-Base interactions energy: -797.034 where: short stacking energy: -397.359 Base-Backbone interact. energy: 1.470 local terms energy: -522.063316 where: bonds (distance) C4'-P energy: -126.913 bonds (distance) P-C4' energy: -131.277 flat angles C4'-P-C4' energy: -110.590 flat angles P-C4'-P energy: -58.973 tors. eta vs tors. theta energy: -94.310 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -921.524125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.524125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.524125 (E_RNA) where: Base-Base interactions energy: -533.571 where: short stacking energy: -278.042 Base-Backbone interact. energy: 5.591 local terms energy: -393.543502 where: bonds (distance) C4'-P energy: -102.292 bonds (distance) P-C4' energy: -108.235 flat angles C4'-P-C4' energy: -96.661 flat angles P-C4'-P energy: -48.046 tors. eta vs tors. theta energy: -38.309 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: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -618.579000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.579000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.579000 (E_RNA) where: Base-Base interactions energy: -272.363 where: short stacking energy: -184.779 Base-Backbone interact. energy: 4.551 local terms energy: -350.767011 where: bonds (distance) C4'-P energy: -91.472 bonds (distance) P-C4' energy: -113.048 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: 8.697 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: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2375.926136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.926136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.926136 (E_RNA) where: Base-Base interactions energy: -1627.350 where: short stacking energy: -686.745 Base-Backbone interact. energy: -1.282 local terms energy: -747.294351 where: bonds (distance) C4'-P energy: -138.226 bonds (distance) P-C4' energy: -144.039 flat angles C4'-P-C4' energy: -149.708 flat angles P-C4'-P energy: -103.584 tors. eta vs tors. theta energy: -211.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2266.086308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.086308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.086308 (E_RNA) where: Base-Base interactions energy: -1576.061 where: short stacking energy: -633.230 Base-Backbone interact. energy: -3.190 local terms energy: -686.835643 where: bonds (distance) C4'-P energy: -138.328 bonds (distance) P-C4' energy: -125.244 flat angles C4'-P-C4' energy: -144.259 flat angles P-C4'-P energy: -91.889 tors. eta vs tors. theta energy: -187.116 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: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2143.886822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.886822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.886822 (E_RNA) where: Base-Base interactions energy: -1500.603 where: short stacking energy: -614.223 Base-Backbone interact. energy: 3.442 local terms energy: -646.726476 where: bonds (distance) C4'-P energy: -124.092 bonds (distance) P-C4' energy: -115.931 flat angles C4'-P-C4' energy: -148.656 flat angles P-C4'-P energy: -88.343 tors. eta vs tors. theta energy: -169.705 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: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1985.575785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.575785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.575785 (E_RNA) where: Base-Base interactions energy: -1333.475 where: short stacking energy: -570.829 Base-Backbone interact. energy: -4.366 local terms energy: -647.735044 where: bonds (distance) C4'-P energy: -116.590 bonds (distance) P-C4' energy: -126.796 flat angles C4'-P-C4' energy: -148.740 flat angles P-C4'-P energy: -94.066 tors. eta vs tors. theta energy: -161.543 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: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1991.475203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.475203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.475203 (E_RNA) where: Base-Base interactions energy: -1377.780 where: short stacking energy: -560.860 Base-Backbone interact. energy: 3.975 local terms energy: -617.669459 where: bonds (distance) C4'-P energy: -122.250 bonds (distance) P-C4' energy: -116.457 flat angles C4'-P-C4' energy: -135.911 flat angles P-C4'-P energy: -87.425 tors. eta vs tors. theta energy: -155.626 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: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1598.517800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.517800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.517800 (E_RNA) where: Base-Base interactions energy: -1046.645 where: short stacking energy: -463.341 Base-Backbone interact. energy: -4.045 local terms energy: -547.828249 where: bonds (distance) C4'-P energy: -118.346 bonds (distance) P-C4' energy: -112.551 flat angles C4'-P-C4' energy: -136.415 flat angles P-C4'-P energy: -81.187 tors. eta vs tors. theta energy: -99.330 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1560.679068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.679068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.679068 (E_RNA) where: Base-Base interactions energy: -1017.923 where: short stacking energy: -474.600 Base-Backbone interact. energy: -0.200 local terms energy: -542.556348 where: bonds (distance) C4'-P energy: -119.515 bonds (distance) P-C4' energy: -110.607 flat angles C4'-P-C4' energy: -110.431 flat angles P-C4'-P energy: -79.941 tors. eta vs tors. theta energy: -122.062 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: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1285.757128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.757128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.757128 (E_RNA) where: Base-Base interactions energy: -811.420 where: short stacking energy: -381.452 Base-Backbone interact. energy: 1.578 local terms energy: -475.914865 where: bonds (distance) C4'-P energy: -108.507 bonds (distance) P-C4' energy: -101.037 flat angles C4'-P-C4' energy: -110.481 flat angles P-C4'-P energy: -78.791 tors. eta vs tors. theta energy: -77.099 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: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1016.067951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.067951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.067951 (E_RNA) where: Base-Base interactions energy: -620.611 where: short stacking energy: -293.934 Base-Backbone interact. energy: 0.029 local terms energy: -395.486440 where: bonds (distance) C4'-P energy: -91.600 bonds (distance) P-C4' energy: -108.041 flat angles C4'-P-C4' energy: -106.598 flat angles P-C4'-P energy: -63.487 tors. eta vs tors. theta energy: -25.761 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: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -627.327825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.327825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.327825 (E_RNA) where: Base-Base interactions energy: -319.148 where: short stacking energy: -187.741 Base-Backbone interact. energy: -0.612 local terms energy: -307.567606 where: bonds (distance) C4'-P energy: -94.859 bonds (distance) P-C4' energy: -84.983 flat angles C4'-P-C4' energy: -91.990 flat angles P-C4'-P energy: -48.992 tors. eta vs tors. theta energy: 13.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2389.741141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.741141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.741141 (E_RNA) where: Base-Base interactions energy: -1648.273 where: short stacking energy: -686.026 Base-Backbone interact. energy: -2.271 local terms energy: -739.197173 where: bonds (distance) C4'-P energy: -140.975 bonds (distance) P-C4' energy: -138.315 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -101.538 tors. eta vs tors. theta energy: -205.157 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: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2250.200670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.200670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.200670 (E_RNA) where: Base-Base interactions energy: -1582.923 where: short stacking energy: -633.776 Base-Backbone interact. energy: -3.818 local terms energy: -663.459962 where: bonds (distance) C4'-P energy: -112.843 bonds (distance) P-C4' energy: -134.874 flat angles C4'-P-C4' energy: -130.213 flat angles P-C4'-P energy: -99.918 tors. eta vs tors. theta energy: -185.612 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: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2153.704930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.704930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.704930 (E_RNA) where: Base-Base interactions energy: -1476.805 where: short stacking energy: -621.993 Base-Backbone interact. energy: 2.318 local terms energy: -679.217990 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -117.104 flat angles C4'-P-C4' energy: -140.040 flat angles P-C4'-P energy: -102.208 tors. eta vs tors. theta energy: -181.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1999.169576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.169576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.169576 (E_RNA) where: Base-Base interactions energy: -1345.936 where: short stacking energy: -588.245 Base-Backbone interact. energy: -0.941 local terms energy: -652.292039 where: bonds (distance) C4'-P energy: -120.738 bonds (distance) P-C4' energy: -146.854 flat angles C4'-P-C4' energy: -137.112 flat angles P-C4'-P energy: -81.399 tors. eta vs tors. theta energy: -166.189 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: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1981.006856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.006856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.006856 (E_RNA) where: Base-Base interactions energy: -1354.337 where: short stacking energy: -598.641 Base-Backbone interact. energy: -2.819 local terms energy: -623.851201 where: bonds (distance) C4'-P energy: -109.806 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -137.991 flat angles P-C4'-P energy: -84.054 tors. eta vs tors. theta energy: -181.200 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: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1645.946488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.946488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.946488 (E_RNA) where: Base-Base interactions energy: -1105.526 where: short stacking energy: -488.247 Base-Backbone interact. energy: -1.650 local terms energy: -538.770540 where: bonds (distance) C4'-P energy: -100.326 bonds (distance) P-C4' energy: -111.527 flat angles C4'-P-C4' energy: -123.187 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -123.385 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1536.574714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.574714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.574714 (E_RNA) where: Base-Base interactions energy: -1026.864 where: short stacking energy: -442.227 Base-Backbone interact. energy: -0.534 local terms energy: -509.176511 where: bonds (distance) C4'-P energy: -115.633 bonds (distance) P-C4' energy: -105.333 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -69.297 tors. eta vs tors. theta energy: -100.067 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: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1315.013265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.013265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.013265 (E_RNA) where: Base-Base interactions energy: -805.570 where: short stacking energy: -371.183 Base-Backbone interact. energy: -1.838 local terms energy: -507.604493 where: bonds (distance) C4'-P energy: -118.886 bonds (distance) P-C4' energy: -118.632 flat angles C4'-P-C4' energy: -111.793 flat angles P-C4'-P energy: -63.293 tors. eta vs tors. theta energy: -95.001 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: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -991.760013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.760013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.760013 (E_RNA) where: Base-Base interactions energy: -563.996 where: short stacking energy: -256.771 Base-Backbone interact. energy: -0.341 local terms energy: -427.422667 where: bonds (distance) C4'-P energy: -111.581 bonds (distance) P-C4' energy: -110.858 flat angles C4'-P-C4' energy: -109.887 flat angles P-C4'-P energy: -63.741 tors. eta vs tors. theta energy: -31.355 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: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -709.977809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.977809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.977809 (E_RNA) where: Base-Base interactions energy: -369.506 where: short stacking energy: -198.736 Base-Backbone interact. energy: 1.989 local terms energy: -342.460306 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -110.848 flat angles C4'-P-C4' energy: -82.962 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: 4.714 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: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2417.378026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.378026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.378026 (E_RNA) where: Base-Base interactions energy: -1673.799 where: short stacking energy: -693.001 Base-Backbone interact. energy: -2.651 local terms energy: -740.927963 where: bonds (distance) C4'-P energy: -127.448 bonds (distance) P-C4' energy: -138.822 flat angles C4'-P-C4' energy: -161.970 flat angles P-C4'-P energy: -107.698 tors. eta vs tors. theta energy: -204.990 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: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2265.821929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.821929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.821929 (E_RNA) where: Base-Base interactions energy: -1570.376 where: short stacking energy: -654.975 Base-Backbone interact. energy: -6.045 local terms energy: -689.401459 where: bonds (distance) C4'-P energy: -120.595 bonds (distance) P-C4' energy: -135.287 flat angles C4'-P-C4' energy: -142.749 flat angles P-C4'-P energy: -105.457 tors. eta vs tors. theta energy: -185.314 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: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2130.550715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.550715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.550715 (E_RNA) where: Base-Base interactions energy: -1489.164 where: short stacking energy: -614.945 Base-Backbone interact. energy: 1.503 local terms energy: -642.889561 where: bonds (distance) C4'-P energy: -115.455 bonds (distance) P-C4' energy: -141.391 flat angles C4'-P-C4' energy: -141.884 flat angles P-C4'-P energy: -84.265 tors. eta vs tors. theta energy: -159.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2108.605500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.605500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.605500 (E_RNA) where: Base-Base interactions energy: -1437.084 where: short stacking energy: -637.537 Base-Backbone interact. energy: -3.973 local terms energy: -667.548653 where: bonds (distance) C4'-P energy: -137.561 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -146.980 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -185.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1993.107097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.107097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.107097 (E_RNA) where: Base-Base interactions energy: -1326.485 where: short stacking energy: -565.623 Base-Backbone interact. energy: -4.197 local terms energy: -662.424317 where: bonds (distance) C4'-P energy: -127.152 bonds (distance) P-C4' energy: -137.291 flat angles C4'-P-C4' energy: -142.541 flat angles P-C4'-P energy: -80.844 tors. eta vs tors. theta energy: -174.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1683.504038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.504038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.504038 (E_RNA) where: Base-Base interactions energy: -1112.753 where: short stacking energy: -484.796 Base-Backbone interact. energy: 1.277 local terms energy: -572.027732 where: bonds (distance) C4'-P energy: -121.589 bonds (distance) P-C4' energy: -121.896 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -123.912 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: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1552.571487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.571487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.571487 (E_RNA) where: Base-Base interactions energy: -1030.335 where: short stacking energy: -455.206 Base-Backbone interact. energy: -1.548 local terms energy: -520.688110 where: bonds (distance) C4'-P energy: -106.528 bonds (distance) P-C4' energy: -96.935 flat angles C4'-P-C4' energy: -120.046 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -113.018 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: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1350.332434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.332434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.332434 (E_RNA) where: Base-Base interactions energy: -848.099 where: short stacking energy: -401.779 Base-Backbone interact. energy: 2.836 local terms energy: -505.069562 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -129.865 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -74.688 tors. eta vs tors. theta energy: -93.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -989.913568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.913568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.913568 (E_RNA) where: Base-Base interactions energy: -554.613 where: short stacking energy: -289.652 Base-Backbone interact. energy: -2.175 local terms energy: -433.126216 where: bonds (distance) C4'-P energy: -101.546 bonds (distance) P-C4' energy: -113.233 flat angles C4'-P-C4' energy: -119.089 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -26.429 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: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -749.874228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.874228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.874228 (E_RNA) where: Base-Base interactions energy: -381.849 where: short stacking energy: -204.772 Base-Backbone interact. energy: -3.762 local terms energy: -364.263039 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -99.224 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: 14.900 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: 1, replica: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2400.198952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.198952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.198952 (E_RNA) where: Base-Base interactions energy: -1649.265 where: short stacking energy: -702.803 Base-Backbone interact. energy: -2.665 local terms energy: -748.269537 where: bonds (distance) C4'-P energy: -132.079 bonds (distance) P-C4' energy: -133.788 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -114.244 tors. eta vs tors. theta energy: -211.903 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: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2266.209899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.209899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.209899 (E_RNA) where: Base-Base interactions energy: -1587.257 where: short stacking energy: -630.108 Base-Backbone interact. energy: -1.941 local terms energy: -677.012021 where: bonds (distance) C4'-P energy: -117.729 bonds (distance) P-C4' energy: -128.443 flat angles C4'-P-C4' energy: -139.529 flat angles P-C4'-P energy: -93.182 tors. eta vs tors. theta energy: -198.129 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: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2131.169170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.169170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.169170 (E_RNA) where: Base-Base interactions energy: -1507.783 where: short stacking energy: -588.265 Base-Backbone interact. energy: -1.983 local terms energy: -621.402949 where: bonds (distance) C4'-P energy: -108.572 bonds (distance) P-C4' energy: -136.290 flat angles C4'-P-C4' energy: -147.935 flat angles P-C4'-P energy: -89.016 tors. eta vs tors. theta energy: -139.591 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: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2106.383342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.383342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.383342 (E_RNA) where: Base-Base interactions energy: -1481.097 where: short stacking energy: -620.991 Base-Backbone interact. energy: -3.151 local terms energy: -622.135531 where: bonds (distance) C4'-P energy: -86.859 bonds (distance) P-C4' energy: -123.899 flat angles C4'-P-C4' energy: -143.441 flat angles P-C4'-P energy: -90.703 tors. eta vs tors. theta energy: -177.234 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: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1974.765118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.765118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.765118 (E_RNA) where: Base-Base interactions energy: -1325.326 where: short stacking energy: -574.731 Base-Backbone interact. energy: -1.116 local terms energy: -648.323264 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -118.163 flat angles C4'-P-C4' energy: -141.836 flat angles P-C4'-P energy: -96.350 tors. eta vs tors. theta energy: -171.567 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: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1731.365772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.365772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.365772 (E_RNA) where: Base-Base interactions energy: -1151.821 where: short stacking energy: -507.293 Base-Backbone interact. energy: -0.780 local terms energy: -578.764284 where: bonds (distance) C4'-P energy: -108.184 bonds (distance) P-C4' energy: -111.967 flat angles C4'-P-C4' energy: -132.305 flat angles P-C4'-P energy: -84.061 tors. eta vs tors. theta energy: -142.247 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: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1552.941755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.941755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.941755 (E_RNA) where: Base-Base interactions energy: -1015.705 where: short stacking energy: -452.366 Base-Backbone interact. energy: -2.293 local terms energy: -534.943933 where: bonds (distance) C4'-P energy: -113.891 bonds (distance) P-C4' energy: -120.425 flat angles C4'-P-C4' energy: -122.140 flat angles P-C4'-P energy: -77.468 tors. eta vs tors. theta energy: -101.020 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: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1342.016970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.016970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.016970 (E_RNA) where: Base-Base interactions energy: -839.642 where: short stacking energy: -382.071 Base-Backbone interact. energy: -4.518 local terms energy: -497.856178 where: bonds (distance) C4'-P energy: -120.684 bonds (distance) P-C4' energy: -111.661 flat angles C4'-P-C4' energy: -120.550 flat angles P-C4'-P energy: -68.961 tors. eta vs tors. theta energy: -75.999 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: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1018.886869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.886869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.886869 (E_RNA) where: Base-Base interactions energy: -616.345 where: short stacking energy: -285.846 Base-Backbone interact. energy: -2.649 local terms energy: -399.892856 where: bonds (distance) C4'-P energy: -100.890 bonds (distance) P-C4' energy: -122.541 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -55.193 tors. eta vs tors. theta energy: -33.994 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: 10, replica: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -686.294843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.294843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.294843 (E_RNA) where: Base-Base interactions energy: -339.223 where: short stacking energy: -192.031 Base-Backbone interact. energy: 3.917 local terms energy: -350.988911 where: bonds (distance) C4'-P energy: -106.017 bonds (distance) P-C4' energy: -100.801 flat angles C4'-P-C4' energy: -116.687 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: 18.940 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: 1, replica: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2371.750206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.750206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.750206 (E_RNA) where: Base-Base interactions energy: -1641.333 where: short stacking energy: -684.171 Base-Backbone interact. energy: 0.596 local terms energy: -731.013868 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -136.041 flat angles C4'-P-C4' energy: -162.403 flat angles P-C4'-P energy: -98.535 tors. eta vs tors. theta energy: -204.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2253.884577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.884577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.884577 (E_RNA) where: Base-Base interactions energy: -1558.624 where: short stacking energy: -640.271 Base-Backbone interact. energy: -4.351 local terms energy: -690.909011 where: bonds (distance) C4'-P energy: -117.381 bonds (distance) P-C4' energy: -141.834 flat angles C4'-P-C4' energy: -152.726 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -187.140 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: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2134.874355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.874355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.874355 (E_RNA) where: Base-Base interactions energy: -1445.871 where: short stacking energy: -594.838 Base-Backbone interact. energy: -4.277 local terms energy: -684.726923 where: bonds (distance) C4'-P energy: -115.210 bonds (distance) P-C4' energy: -134.821 flat angles C4'-P-C4' energy: -152.456 flat angles P-C4'-P energy: -105.110 tors. eta vs tors. theta energy: -177.129 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: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2055.716983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.716983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.716983 (E_RNA) where: Base-Base interactions energy: -1432.227 where: short stacking energy: -576.029 Base-Backbone interact. energy: -0.258 local terms energy: -623.231819 where: bonds (distance) C4'-P energy: -129.103 bonds (distance) P-C4' energy: -125.688 flat angles C4'-P-C4' energy: -126.169 flat angles P-C4'-P energy: -80.856 tors. eta vs tors. theta energy: -161.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2013.611630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.611630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.611630 (E_RNA) where: Base-Base interactions energy: -1376.787 where: short stacking energy: -579.535 Base-Backbone interact. energy: -3.167 local terms energy: -633.657302 where: bonds (distance) C4'-P energy: -112.308 bonds (distance) P-C4' energy: -108.197 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -84.083 tors. eta vs tors. theta energy: -182.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1675.748039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.748039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.748039 (E_RNA) where: Base-Base interactions energy: -1071.594 where: short stacking energy: -499.751 Base-Backbone interact. energy: -0.034 local terms energy: -604.120272 where: bonds (distance) C4'-P energy: -127.061 bonds (distance) P-C4' energy: -127.740 flat angles C4'-P-C4' energy: -124.532 flat angles P-C4'-P energy: -89.607 tors. eta vs tors. theta energy: -135.181 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: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1546.313074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.313074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.313074 (E_RNA) where: Base-Base interactions energy: -1038.961 where: short stacking energy: -428.547 Base-Backbone interact. energy: -1.308 local terms energy: -506.044070 where: bonds (distance) C4'-P energy: -122.501 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -118.723 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -101.560 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: 8, replica: 6 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1308.934287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.934287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.934287 (E_RNA) where: Base-Base interactions energy: -840.468 where: short stacking energy: -380.232 Base-Backbone interact. energy: 1.401 local terms energy: -469.866533 where: bonds (distance) C4'-P energy: -106.000 bonds (distance) P-C4' energy: -124.526 flat angles C4'-P-C4' energy: -103.585 flat angles P-C4'-P energy: -63.392 tors. eta vs tors. theta energy: -72.364 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: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1017.003275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.003275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.003275 (E_RNA) where: Base-Base interactions energy: -598.396 where: short stacking energy: -273.645 Base-Backbone interact. energy: -0.676 local terms energy: -417.931161 where: bonds (distance) C4'-P energy: -102.919 bonds (distance) P-C4' energy: -100.144 flat angles C4'-P-C4' energy: -128.424 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -27.432 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: 10, replica: 4 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -667.215332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.215332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.215332 (E_RNA) where: Base-Base interactions energy: -316.071 where: short stacking energy: -181.528 Base-Backbone interact. energy: 3.149 local terms energy: -354.293477 where: bonds (distance) C4'-P energy: -101.936 bonds (distance) P-C4' energy: -110.064 flat angles C4'-P-C4' energy: -95.066 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: 0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2387.821734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.821734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.821734 (E_RNA) where: Base-Base interactions energy: -1646.177 where: short stacking energy: -709.549 Base-Backbone interact. energy: -2.109 local terms energy: -739.536113 where: bonds (distance) C4'-P energy: -133.641 bonds (distance) P-C4' energy: -134.265 flat angles C4'-P-C4' energy: -164.813 flat angles P-C4'-P energy: -102.845 tors. eta vs tors. theta energy: -203.971 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: 2, replica: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2257.326948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.326948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.326948 (E_RNA) where: Base-Base interactions energy: -1583.682 where: short stacking energy: -637.240 Base-Backbone interact. energy: 0.400 local terms energy: -674.044629 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -115.868 flat angles C4'-P-C4' energy: -138.404 flat angles P-C4'-P energy: -96.106 tors. eta vs tors. theta energy: -193.155 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: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2153.277933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.277933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.277933 (E_RNA) where: Base-Base interactions energy: -1472.136 where: short stacking energy: -610.412 Base-Backbone interact. energy: -4.310 local terms energy: -676.832125 where: bonds (distance) C4'-P energy: -125.979 bonds (distance) P-C4' energy: -125.010 flat angles C4'-P-C4' energy: -139.179 flat angles P-C4'-P energy: -110.159 tors. eta vs tors. theta energy: -176.505 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: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2096.811291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.811291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.811291 (E_RNA) where: Base-Base interactions energy: -1465.659 where: short stacking energy: -595.885 Base-Backbone interact. energy: -3.320 local terms energy: -627.831990 where: bonds (distance) C4'-P energy: -128.931 bonds (distance) P-C4' energy: -120.187 flat angles C4'-P-C4' energy: -142.188 flat angles P-C4'-P energy: -75.831 tors. eta vs tors. theta energy: -160.695 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: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1988.910972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.910972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.910972 (E_RNA) where: Base-Base interactions energy: -1350.532 where: short stacking energy: -582.649 Base-Backbone interact. energy: -4.949 local terms energy: -633.429660 where: bonds (distance) C4'-P energy: -118.243 bonds (distance) P-C4' energy: -119.246 flat angles C4'-P-C4' energy: -131.316 flat angles P-C4'-P energy: -100.179 tors. eta vs tors. theta energy: -164.446 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: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1712.862428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.862428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.862428 (E_RNA) where: Base-Base interactions energy: -1131.514 where: short stacking energy: -512.621 Base-Backbone interact. energy: -2.485 local terms energy: -578.863569 where: bonds (distance) C4'-P energy: -112.454 bonds (distance) P-C4' energy: -122.632 flat angles C4'-P-C4' energy: -131.671 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -141.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1559.778384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.778384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.778384 (E_RNA) where: Base-Base interactions energy: -1026.480 where: short stacking energy: -459.822 Base-Backbone interact. energy: 1.170 local terms energy: -534.468239 where: bonds (distance) C4'-P energy: -101.544 bonds (distance) P-C4' energy: -120.173 flat angles C4'-P-C4' energy: -122.868 flat angles P-C4'-P energy: -73.484 tors. eta vs tors. theta energy: -116.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1280.830290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.830290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.830290 (E_RNA) where: Base-Base interactions energy: -737.423 where: short stacking energy: -377.328 Base-Backbone interact. energy: -2.397 local terms energy: -541.009873 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -129.160 flat angles C4'-P-C4' energy: -122.037 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -91.820 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1012.316801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.316801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.316801 (E_RNA) where: Base-Base interactions energy: -603.769 where: short stacking energy: -259.031 Base-Backbone interact. energy: -0.825 local terms energy: -407.722716 where: bonds (distance) C4'-P energy: -100.701 bonds (distance) P-C4' energy: -90.893 flat angles C4'-P-C4' energy: -110.719 flat angles P-C4'-P energy: -72.741 tors. eta vs tors. theta energy: -32.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -719.859871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.859871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.859871 (E_RNA) where: Base-Base interactions energy: -336.506 where: short stacking energy: -194.825 Base-Backbone interact. energy: 1.321 local terms energy: -384.674587 where: bonds (distance) C4'-P energy: -107.667 bonds (distance) P-C4' energy: -104.801 flat angles C4'-P-C4' energy: -107.336 flat angles P-C4'-P energy: -59.944 tors. eta vs tors. theta energy: -4.927 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: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2357.304922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.304922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.304922 (E_RNA) where: Base-Base interactions energy: -1610.134 where: short stacking energy: -688.512 Base-Backbone interact. energy: -3.686 local terms energy: -743.484659 where: bonds (distance) C4'-P energy: -141.618 bonds (distance) P-C4' energy: -135.759 flat angles C4'-P-C4' energy: -151.443 flat angles P-C4'-P energy: -97.365 tors. eta vs tors. theta energy: -217.299 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: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2260.447744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.447744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.447744 (E_RNA) where: Base-Base interactions energy: -1575.053 where: short stacking energy: -658.496 Base-Backbone interact. energy: 2.605 local terms energy: -688.000471 where: bonds (distance) C4'-P energy: -128.355 bonds (distance) P-C4' energy: -126.271 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -92.390 tors. eta vs tors. theta energy: -200.033 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: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2155.334562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.334562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.334562 (E_RNA) where: Base-Base interactions energy: -1472.451 where: short stacking energy: -623.943 Base-Backbone interact. energy: -1.780 local terms energy: -681.103603 where: bonds (distance) C4'-P energy: -118.566 bonds (distance) P-C4' energy: -127.886 flat angles C4'-P-C4' energy: -152.587 flat angles P-C4'-P energy: -84.200 tors. eta vs tors. theta energy: -197.864 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: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2061.036472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.036472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.036472 (E_RNA) where: Base-Base interactions energy: -1443.168 where: short stacking energy: -586.211 Base-Backbone interact. energy: -0.648 local terms energy: -617.220868 where: bonds (distance) C4'-P energy: -139.027 bonds (distance) P-C4' energy: -112.753 flat angles C4'-P-C4' energy: -140.973 flat angles P-C4'-P energy: -80.871 tors. eta vs tors. theta energy: -143.597 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: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2070.908037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.908037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.908037 (E_RNA) where: Base-Base interactions energy: -1408.392 where: short stacking energy: -583.324 Base-Backbone interact. energy: -4.800 local terms energy: -657.715850 where: bonds (distance) C4'-P energy: -119.242 bonds (distance) P-C4' energy: -131.922 flat angles C4'-P-C4' energy: -132.803 flat angles P-C4'-P energy: -93.378 tors. eta vs tors. theta energy: -180.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1726.941864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.941864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.941864 (E_RNA) where: Base-Base interactions energy: -1151.491 where: short stacking energy: -505.991 Base-Backbone interact. energy: -0.800 local terms energy: -574.651157 where: bonds (distance) C4'-P energy: -99.361 bonds (distance) P-C4' energy: -121.132 flat angles C4'-P-C4' energy: -123.812 flat angles P-C4'-P energy: -89.838 tors. eta vs tors. theta energy: -140.509 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: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1547.634032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.634032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.634032 (E_RNA) where: Base-Base interactions energy: -1032.774 where: short stacking energy: -451.012 Base-Backbone interact. energy: 0.188 local terms energy: -515.047497 where: bonds (distance) C4'-P energy: -92.029 bonds (distance) P-C4' energy: -103.057 flat angles C4'-P-C4' energy: -132.540 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -113.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1255.461945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.461945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.461945 (E_RNA) where: Base-Base interactions energy: -735.636 where: short stacking energy: -319.932 Base-Backbone interact. energy: 0.754 local terms energy: -520.580421 where: bonds (distance) C4'-P energy: -120.682 bonds (distance) P-C4' energy: -131.683 flat angles C4'-P-C4' energy: -105.479 flat angles P-C4'-P energy: -85.690 tors. eta vs tors. theta energy: -77.047 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: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1024.366024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.366024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.366024 (E_RNA) where: Base-Base interactions energy: -583.195 where: short stacking energy: -291.520 Base-Backbone interact. energy: -0.424 local terms energy: -440.747430 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -130.470 flat angles C4'-P-C4' energy: -95.014 flat angles P-C4'-P energy: -76.949 tors. eta vs tors. theta energy: -32.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -683.032444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.032444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.032444 (E_RNA) where: Base-Base interactions energy: -336.714 where: short stacking energy: -195.356 Base-Backbone interact. energy: 2.437 local terms energy: -348.755150 where: bonds (distance) C4'-P energy: -100.209 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -104.005 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: 7.846 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: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2391.321227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.321227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.321227 (E_RNA) where: Base-Base interactions energy: -1637.265 where: short stacking energy: -697.735 Base-Backbone interact. energy: -1.348 local terms energy: -752.707999 where: bonds (distance) C4'-P energy: -130.658 bonds (distance) P-C4' energy: -145.834 flat angles C4'-P-C4' energy: -156.425 flat angles P-C4'-P energy: -106.377 tors. eta vs tors. theta energy: -213.413 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: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2316.252204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.252204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.252204 (E_RNA) where: Base-Base interactions energy: -1618.576 where: short stacking energy: -670.892 Base-Backbone interact. energy: 2.466 local terms energy: -700.141951 where: bonds (distance) C4'-P energy: -127.821 bonds (distance) P-C4' energy: -127.201 flat angles C4'-P-C4' energy: -151.812 flat angles P-C4'-P energy: -98.392 tors. eta vs tors. theta energy: -194.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2144.307835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.307835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.307835 (E_RNA) where: Base-Base interactions energy: -1498.548 where: short stacking energy: -613.917 Base-Backbone interact. energy: -1.475 local terms energy: -644.284090 where: bonds (distance) C4'-P energy: -116.563 bonds (distance) P-C4' energy: -127.753 flat angles C4'-P-C4' energy: -145.432 flat angles P-C4'-P energy: -72.321 tors. eta vs tors. theta energy: -182.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2102.986886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.986886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.986886 (E_RNA) where: Base-Base interactions energy: -1458.138 where: short stacking energy: -612.167 Base-Backbone interact. energy: -1.097 local terms energy: -643.752170 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -122.176 flat angles C4'-P-C4' energy: -146.550 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -177.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2008.710728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.710728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.710728 (E_RNA) where: Base-Base interactions energy: -1378.667 where: short stacking energy: -568.198 Base-Backbone interact. energy: -0.969 local terms energy: -629.074038 where: bonds (distance) C4'-P energy: -114.783 bonds (distance) P-C4' energy: -122.938 flat angles C4'-P-C4' energy: -138.543 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -152.484 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: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1719.380289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.380289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.380289 (E_RNA) where: Base-Base interactions energy: -1125.942 where: short stacking energy: -502.329 Base-Backbone interact. energy: 0.698 local terms energy: -594.136024 where: bonds (distance) C4'-P energy: -105.585 bonds (distance) P-C4' energy: -137.438 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -74.041 tors. eta vs tors. theta energy: -145.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1607.324311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.324311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.324311 (E_RNA) where: Base-Base interactions energy: -1070.192 where: short stacking energy: -472.577 Base-Backbone interact. energy: -2.251 local terms energy: -534.880404 where: bonds (distance) C4'-P energy: -106.906 bonds (distance) P-C4' energy: -110.450 flat angles C4'-P-C4' energy: -115.423 flat angles P-C4'-P energy: -83.569 tors. eta vs tors. theta energy: -118.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1273.086853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.086853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.086853 (E_RNA) where: Base-Base interactions energy: -799.158 where: short stacking energy: -368.698 Base-Backbone interact. energy: 2.838 local terms energy: -476.766521 where: bonds (distance) C4'-P energy: -122.497 bonds (distance) P-C4' energy: -105.842 flat angles C4'-P-C4' energy: -114.648 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -68.702 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: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1055.804668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.804668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.804668 (E_RNA) where: Base-Base interactions energy: -619.644 where: short stacking energy: -310.433 Base-Backbone interact. energy: -1.615 local terms energy: -434.545520 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -110.171 flat angles C4'-P-C4' energy: -115.170 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -42.355 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: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -716.987367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.987367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.987367 (E_RNA) where: Base-Base interactions energy: -348.876 where: short stacking energy: -223.857 Base-Backbone interact. energy: -0.119 local terms energy: -367.991879 where: bonds (distance) C4'-P energy: -112.810 bonds (distance) P-C4' energy: -102.462 flat angles C4'-P-C4' energy: -97.326 flat angles P-C4'-P energy: -58.380 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: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2403.761312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.761312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.761312 (E_RNA) where: Base-Base interactions energy: -1659.688 where: short stacking energy: -709.845 Base-Backbone interact. energy: -2.122 local terms energy: -741.951490 where: bonds (distance) C4'-P energy: -135.950 bonds (distance) P-C4' energy: -137.853 flat angles C4'-P-C4' energy: -157.520 flat angles P-C4'-P energy: -88.156 tors. eta vs tors. theta energy: -222.473 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: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2288.608281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.608281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.608281 (E_RNA) where: Base-Base interactions energy: -1584.218 where: short stacking energy: -639.462 Base-Backbone interact. energy: -2.792 local terms energy: -701.598453 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -136.570 flat angles C4'-P-C4' energy: -149.954 flat angles P-C4'-P energy: -105.729 tors. eta vs tors. theta energy: -191.198 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: 3, replica: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2182.000172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.000172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.000172 (E_RNA) where: Base-Base interactions energy: -1501.777 where: short stacking energy: -616.064 Base-Backbone interact. energy: -1.512 local terms energy: -678.710842 where: bonds (distance) C4'-P energy: -129.574 bonds (distance) P-C4' energy: -127.941 flat angles C4'-P-C4' energy: -147.711 flat angles P-C4'-P energy: -84.359 tors. eta vs tors. theta energy: -189.127 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: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2077.462060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.462060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.462060 (E_RNA) where: Base-Base interactions energy: -1429.563 where: short stacking energy: -591.896 Base-Backbone interact. energy: -3.619 local terms energy: -644.279781 where: bonds (distance) C4'-P energy: -115.370 bonds (distance) P-C4' energy: -123.199 flat angles C4'-P-C4' energy: -138.443 flat angles P-C4'-P energy: -96.536 tors. eta vs tors. theta energy: -170.731 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: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1960.262176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.262176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.262176 (E_RNA) where: Base-Base interactions energy: -1390.587 where: short stacking energy: -570.976 Base-Backbone interact. energy: -1.239 local terms energy: -568.436645 where: bonds (distance) C4'-P energy: -125.598 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -118.172 flat angles P-C4'-P energy: -79.044 tors. eta vs tors. theta energy: -150.961 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: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1745.714913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.714913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.714913 (E_RNA) where: Base-Base interactions energy: -1183.127 where: short stacking energy: -503.531 Base-Backbone interact. energy: 0.063 local terms energy: -562.650674 where: bonds (distance) C4'-P energy: -92.434 bonds (distance) P-C4' energy: -114.005 flat angles C4'-P-C4' energy: -134.910 flat angles P-C4'-P energy: -73.904 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1561.984584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.984584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.984584 (E_RNA) where: Base-Base interactions energy: -1059.597 where: short stacking energy: -464.976 Base-Backbone interact. energy: 2.080 local terms energy: -504.467239 where: bonds (distance) C4'-P energy: -100.883 bonds (distance) P-C4' energy: -97.522 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -123.785 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: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1267.723700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.723700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.723700 (E_RNA) where: Base-Base interactions energy: -779.553 where: short stacking energy: -397.741 Base-Backbone interact. energy: -1.806 local terms energy: -486.365596 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -110.990 flat angles C4'-P-C4' energy: -119.818 flat angles P-C4'-P energy: -59.091 tors. eta vs tors. theta energy: -94.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1034.361080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.361080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.361080 (E_RNA) where: Base-Base interactions energy: -613.705 where: short stacking energy: -293.128 Base-Backbone interact. energy: 2.393 local terms energy: -423.048960 where: bonds (distance) C4'-P energy: -98.591 bonds (distance) P-C4' energy: -116.860 flat angles C4'-P-C4' energy: -99.499 flat angles P-C4'-P energy: -46.465 tors. eta vs tors. theta energy: -61.634 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: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -697.902839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.902839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.902839 (E_RNA) where: Base-Base interactions energy: -367.498 where: short stacking energy: -193.323 Base-Backbone interact. energy: 8.608 local terms energy: -339.013392 where: bonds (distance) C4'-P energy: -114.136 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -81.022 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2374.296598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.296598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.296598 (E_RNA) where: Base-Base interactions energy: -1616.611 where: short stacking energy: -663.731 Base-Backbone interact. energy: -2.769 local terms energy: -754.916950 where: bonds (distance) C4'-P energy: -132.060 bonds (distance) P-C4' energy: -150.390 flat angles C4'-P-C4' energy: -164.183 flat angles P-C4'-P energy: -104.697 tors. eta vs tors. theta energy: -203.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2286.887308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.887308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.887308 (E_RNA) where: Base-Base interactions energy: -1598.332 where: short stacking energy: -639.973 Base-Backbone interact. energy: -1.863 local terms energy: -686.692486 where: bonds (distance) C4'-P energy: -131.624 bonds (distance) P-C4' energy: -115.495 flat angles C4'-P-C4' energy: -148.402 flat angles P-C4'-P energy: -97.255 tors. eta vs tors. theta energy: -193.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2241.682506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.682506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.682506 (E_RNA) where: Base-Base interactions energy: -1545.183 where: short stacking energy: -656.827 Base-Backbone interact. energy: 0.593 local terms energy: -697.091646 where: bonds (distance) C4'-P energy: -123.420 bonds (distance) P-C4' energy: -132.466 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -104.432 tors. eta vs tors. theta energy: -187.521 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: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2053.394128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.394128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.394128 (E_RNA) where: Base-Base interactions energy: -1408.084 where: short stacking energy: -606.679 Base-Backbone interact. energy: -0.033 local terms energy: -645.277299 where: bonds (distance) C4'-P energy: -116.050 bonds (distance) P-C4' energy: -133.478 flat angles C4'-P-C4' energy: -140.572 flat angles P-C4'-P energy: -78.376 tors. eta vs tors. theta energy: -176.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2000.253893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.253893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.253893 (E_RNA) where: Base-Base interactions energy: -1392.526 where: short stacking energy: -556.639 Base-Backbone interact. energy: -0.295 local terms energy: -607.432502 where: bonds (distance) C4'-P energy: -111.588 bonds (distance) P-C4' energy: -133.692 flat angles C4'-P-C4' energy: -134.358 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: -151.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1758.374961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.374961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.374961 (E_RNA) where: Base-Base interactions energy: -1156.776 where: short stacking energy: -509.213 Base-Backbone interact. energy: -1.262 local terms energy: -600.336477 where: bonds (distance) C4'-P energy: -116.079 bonds (distance) P-C4' energy: -107.137 flat angles C4'-P-C4' energy: -131.932 flat angles P-C4'-P energy: -98.773 tors. eta vs tors. theta energy: -146.415 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: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1637.448386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.448386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.448386 (E_RNA) where: Base-Base interactions energy: -1090.587 where: short stacking energy: -477.418 Base-Backbone interact. energy: -0.590 local terms energy: -546.271075 where: bonds (distance) C4'-P energy: -109.374 bonds (distance) P-C4' energy: -119.329 flat angles C4'-P-C4' energy: -116.794 flat angles P-C4'-P energy: -72.533 tors. eta vs tors. theta energy: -128.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1223.470864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.470864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.470864 (E_RNA) where: Base-Base interactions energy: -738.984 where: short stacking energy: -342.030 Base-Backbone interact. energy: -0.636 local terms energy: -483.850563 where: bonds (distance) C4'-P energy: -98.049 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -121.886 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -56.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1014.997907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.997907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.997907 (E_RNA) where: Base-Base interactions energy: -611.147 where: short stacking energy: -278.916 Base-Backbone interact. energy: 3.611 local terms energy: -407.461949 where: bonds (distance) C4'-P energy: -108.293 bonds (distance) P-C4' energy: -112.706 flat angles C4'-P-C4' energy: -94.481 flat angles P-C4'-P energy: -62.188 tors. eta vs tors. theta energy: -29.794 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: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -698.563051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.563051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.563051 (E_RNA) where: Base-Base interactions energy: -363.038 where: short stacking energy: -201.691 Base-Backbone interact. energy: 4.200 local terms energy: -339.725932 where: bonds (distance) C4'-P energy: -105.913 bonds (distance) P-C4' energy: -120.228 flat angles C4'-P-C4' energy: -55.127 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: 5.627 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: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2382.257801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.257801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.257801 (E_RNA) where: Base-Base interactions energy: -1659.990 where: short stacking energy: -686.565 Base-Backbone interact. energy: -2.516 local terms energy: -719.752499 where: bonds (distance) C4'-P energy: -115.791 bonds (distance) P-C4' energy: -140.291 flat angles C4'-P-C4' energy: -158.433 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -209.875 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: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2324.148470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.148470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.148470 (E_RNA) where: Base-Base interactions energy: -1591.870 where: short stacking energy: -648.509 Base-Backbone interact. energy: 1.971 local terms energy: -734.249010 where: bonds (distance) C4'-P energy: -143.062 bonds (distance) P-C4' energy: -137.136 flat angles C4'-P-C4' energy: -150.995 flat angles P-C4'-P energy: -110.562 tors. eta vs tors. theta energy: -192.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2245.778956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.778956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.778956 (E_RNA) where: Base-Base interactions energy: -1550.619 where: short stacking energy: -640.290 Base-Backbone interact. energy: -2.986 local terms energy: -692.173487 where: bonds (distance) C4'-P energy: -121.428 bonds (distance) P-C4' energy: -125.088 flat angles C4'-P-C4' energy: -139.706 flat angles P-C4'-P energy: -110.414 tors. eta vs tors. theta energy: -195.537 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: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2063.607232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.607232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.607232 (E_RNA) where: Base-Base interactions energy: -1419.967 where: short stacking energy: -588.381 Base-Backbone interact. energy: -3.222 local terms energy: -640.418102 where: bonds (distance) C4'-P energy: -121.182 bonds (distance) P-C4' energy: -107.077 flat angles C4'-P-C4' energy: -149.703 flat angles P-C4'-P energy: -89.677 tors. eta vs tors. theta energy: -172.779 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2011.702653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.702653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.702653 (E_RNA) where: Base-Base interactions energy: -1384.679 where: short stacking energy: -550.804 Base-Backbone interact. energy: -4.027 local terms energy: -622.996816 where: bonds (distance) C4'-P energy: -120.377 bonds (distance) P-C4' energy: -127.630 flat angles C4'-P-C4' energy: -142.891 flat angles P-C4'-P energy: -90.841 tors. eta vs tors. theta energy: -141.257 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: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1763.789602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.789602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.789602 (E_RNA) where: Base-Base interactions energy: -1196.739 where: short stacking energy: -537.710 Base-Backbone interact. energy: -2.934 local terms energy: -564.116692 where: bonds (distance) C4'-P energy: -102.359 bonds (distance) P-C4' energy: -126.416 flat angles C4'-P-C4' energy: -106.506 flat angles P-C4'-P energy: -83.216 tors. eta vs tors. theta energy: -145.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1634.294557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.294557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.294557 (E_RNA) where: Base-Base interactions energy: -1101.482 where: short stacking energy: -472.290 Base-Backbone interact. energy: -0.614 local terms energy: -532.198135 where: bonds (distance) C4'-P energy: -102.076 bonds (distance) P-C4' energy: -118.145 flat angles C4'-P-C4' energy: -129.240 flat angles P-C4'-P energy: -79.084 tors. eta vs tors. theta energy: -103.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1191.202069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.202069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.202069 (E_RNA) where: Base-Base interactions energy: -709.183 where: short stacking energy: -359.061 Base-Backbone interact. energy: -3.030 local terms energy: -478.989120 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -114.702 flat angles P-C4'-P energy: -68.523 tors. eta vs tors. theta energy: -69.818 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: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1025.839599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.839599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.839599 (E_RNA) where: Base-Base interactions energy: -586.077 where: short stacking energy: -273.230 Base-Backbone interact. energy: -1.724 local terms energy: -438.038437 where: bonds (distance) C4'-P energy: -111.866 bonds (distance) P-C4' energy: -123.354 flat angles C4'-P-C4' energy: -97.580 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -43.758 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: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -674.406716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.406716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.406716 (E_RNA) where: Base-Base interactions energy: -331.490 where: short stacking energy: -200.971 Base-Backbone interact. energy: 3.687 local terms energy: -346.604108 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -75.555 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: 9.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2382.050739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.050739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.050739 (E_RNA) where: Base-Base interactions energy: -1654.066 where: short stacking energy: -699.169 Base-Backbone interact. energy: -2.437 local terms energy: -725.547404 where: bonds (distance) C4'-P energy: -133.736 bonds (distance) P-C4' energy: -131.132 flat angles C4'-P-C4' energy: -138.144 flat angles P-C4'-P energy: -104.252 tors. eta vs tors. theta energy: -218.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2287.629869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.629869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.629869 (E_RNA) where: Base-Base interactions energy: -1588.164 where: short stacking energy: -660.440 Base-Backbone interact. energy: 2.289 local terms energy: -701.754824 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -131.647 flat angles C4'-P-C4' energy: -145.639 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -198.420 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: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2235.932876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.932876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.932876 (E_RNA) where: Base-Base interactions energy: -1551.507 where: short stacking energy: -659.285 Base-Backbone interact. energy: -0.636 local terms energy: -683.789716 where: bonds (distance) C4'-P energy: -115.397 bonds (distance) P-C4' energy: -134.924 flat angles C4'-P-C4' energy: -135.528 flat angles P-C4'-P energy: -101.483 tors. eta vs tors. theta energy: -196.458 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: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2034.442581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.442581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.442581 (E_RNA) where: Base-Base interactions energy: -1411.255 where: short stacking energy: -602.835 Base-Backbone interact. energy: -1.838 local terms energy: -621.350122 where: bonds (distance) C4'-P energy: -116.597 bonds (distance) P-C4' energy: -120.918 flat angles C4'-P-C4' energy: -142.099 flat angles P-C4'-P energy: -82.398 tors. eta vs tors. theta energy: -159.338 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: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1982.897928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.897928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.897928 (E_RNA) where: Base-Base interactions energy: -1362.826 where: short stacking energy: -556.434 Base-Backbone interact. energy: 3.426 local terms energy: -623.497654 where: bonds (distance) C4'-P energy: -102.704 bonds (distance) P-C4' energy: -134.232 flat angles C4'-P-C4' energy: -136.838 flat angles P-C4'-P energy: -91.914 tors. eta vs tors. theta energy: -157.810 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1734.869384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.869384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.869384 (E_RNA) where: Base-Base interactions energy: -1156.215 where: short stacking energy: -497.881 Base-Backbone interact. energy: 3.477 local terms energy: -582.132306 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -116.996 flat angles C4'-P-C4' energy: -115.037 flat angles P-C4'-P energy: -89.705 tors. eta vs tors. theta energy: -129.540 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: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1746.690898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.690898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.690898 (E_RNA) where: Base-Base interactions energy: -1155.922 where: short stacking energy: -505.614 Base-Backbone interact. energy: 2.100 local terms energy: -592.868629 where: bonds (distance) C4'-P energy: -99.599 bonds (distance) P-C4' energy: -140.614 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -90.851 tors. eta vs tors. theta energy: -138.144 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: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1160.183247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.183247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.183247 (E_RNA) where: Base-Base interactions energy: -688.574 where: short stacking energy: -345.107 Base-Backbone interact. energy: -1.559 local terms energy: -470.050540 where: bonds (distance) C4'-P energy: -110.141 bonds (distance) P-C4' energy: -102.470 flat angles C4'-P-C4' energy: -117.286 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -72.091 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: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1036.000699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.000699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.000699 (E_RNA) where: Base-Base interactions energy: -582.183 where: short stacking energy: -292.650 Base-Backbone interact. energy: 2.762 local terms energy: -456.579711 where: bonds (distance) C4'-P energy: -110.430 bonds (distance) P-C4' energy: -109.469 flat angles C4'-P-C4' energy: -117.317 flat angles P-C4'-P energy: -68.450 tors. eta vs tors. theta energy: -50.913 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: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -697.033385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.033385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.033385 (E_RNA) where: Base-Base interactions energy: -301.828 where: short stacking energy: -165.539 Base-Backbone interact. energy: -0.322 local terms energy: -394.883416 where: bonds (distance) C4'-P energy: -112.990 bonds (distance) P-C4' energy: -127.811 flat angles C4'-P-C4' energy: -95.652 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: -3.958 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: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2388.428745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.428745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.428745 (E_RNA) where: Base-Base interactions energy: -1645.086 where: short stacking energy: -711.384 Base-Backbone interact. energy: -2.634 local terms energy: -740.708450 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -139.080 flat angles C4'-P-C4' energy: -154.678 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -215.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2291.790417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.790417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.790417 (E_RNA) where: Base-Base interactions energy: -1576.273 where: short stacking energy: -651.095 Base-Backbone interact. energy: -4.685 local terms energy: -710.832097 where: bonds (distance) C4'-P energy: -136.091 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -139.080 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -204.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2225.407825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.407825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.407825 (E_RNA) where: Base-Base interactions energy: -1519.334 where: short stacking energy: -622.364 Base-Backbone interact. energy: -4.573 local terms energy: -701.500154 where: bonds (distance) C4'-P energy: -127.063 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -159.314 flat angles P-C4'-P energy: -87.965 tors. eta vs tors. theta energy: -192.133 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: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2057.227855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.227855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.227855 (E_RNA) where: Base-Base interactions energy: -1419.795 where: short stacking energy: -589.108 Base-Backbone interact. energy: -3.427 local terms energy: -634.005208 where: bonds (distance) C4'-P energy: -98.406 bonds (distance) P-C4' energy: -128.973 flat angles C4'-P-C4' energy: -143.013 flat angles P-C4'-P energy: -88.711 tors. eta vs tors. theta energy: -174.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2004.649880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.649880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.649880 (E_RNA) where: Base-Base interactions energy: -1421.889 where: short stacking energy: -593.772 Base-Backbone interact. energy: -2.592 local terms energy: -580.168696 where: bonds (distance) C4'-P energy: -90.683 bonds (distance) P-C4' energy: -112.345 flat angles C4'-P-C4' energy: -132.342 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -163.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1669.146914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.146914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.146914 (E_RNA) where: Base-Base interactions energy: -1120.568 where: short stacking energy: -456.678 Base-Backbone interact. energy: -2.281 local terms energy: -546.297952 where: bonds (distance) C4'-P energy: -90.472 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -131.882 flat angles P-C4'-P energy: -90.040 tors. eta vs tors. theta energy: -118.419 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: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1682.425724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.425724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.425724 (E_RNA) where: Base-Base interactions energy: -1164.656 where: short stacking energy: -478.333 Base-Backbone interact. energy: -0.804 local terms energy: -516.965496 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -120.742 flat angles P-C4'-P energy: -73.986 tors. eta vs tors. theta energy: -116.829 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: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1141.105437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.105437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.105437 (E_RNA) where: Base-Base interactions energy: -659.703 where: short stacking energy: -313.660 Base-Backbone interact. energy: -2.576 local terms energy: -478.826563 where: bonds (distance) C4'-P energy: -126.021 bonds (distance) P-C4' energy: -115.349 flat angles C4'-P-C4' energy: -107.502 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -51.735 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: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1047.537685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.537685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.537685 (E_RNA) where: Base-Base interactions energy: -622.570 where: short stacking energy: -293.124 Base-Backbone interact. energy: -0.633 local terms energy: -424.333950 where: bonds (distance) C4'-P energy: -108.715 bonds (distance) P-C4' energy: -113.789 flat angles C4'-P-C4' energy: -101.645 flat angles P-C4'-P energy: -57.274 tors. eta vs tors. theta energy: -42.911 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: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -665.682422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.682422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.682422 (E_RNA) where: Base-Base interactions energy: -288.160 where: short stacking energy: -190.049 Base-Backbone interact. energy: 2.960 local terms energy: -380.482551 where: bonds (distance) C4'-P energy: -115.490 bonds (distance) P-C4' energy: -113.741 flat angles C4'-P-C4' energy: -80.276 flat angles P-C4'-P energy: -49.156 tors. eta vs tors. theta energy: -21.818 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: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2374.691458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.691458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.691458 (E_RNA) where: Base-Base interactions energy: -1612.553 where: short stacking energy: -667.149 Base-Backbone interact. energy: -5.671 local terms energy: -756.467921 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -152.724 flat angles C4'-P-C4' energy: -149.948 flat angles P-C4'-P energy: -104.845 tors. eta vs tors. theta energy: -209.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2300.489614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.489614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.489614 (E_RNA) where: Base-Base interactions energy: -1594.752 where: short stacking energy: -656.455 Base-Backbone interact. energy: 1.768 local terms energy: -707.505544 where: bonds (distance) C4'-P energy: -134.892 bonds (distance) P-C4' energy: -132.395 flat angles C4'-P-C4' energy: -137.762 flat angles P-C4'-P energy: -94.387 tors. eta vs tors. theta energy: -208.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2261.179510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.179510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.179510 (E_RNA) where: Base-Base interactions energy: -1565.856 where: short stacking energy: -661.673 Base-Backbone interact. energy: 1.605 local terms energy: -696.928583 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -141.079 flat angles C4'-P-C4' energy: -147.562 flat angles P-C4'-P energy: -90.484 tors. eta vs tors. theta energy: -194.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2086.791919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.791919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.791919 (E_RNA) where: Base-Base interactions energy: -1444.440 where: short stacking energy: -587.686 Base-Backbone interact. energy: -0.633 local terms energy: -641.719243 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -118.650 flat angles C4'-P-C4' energy: -152.100 flat angles P-C4'-P energy: -89.844 tors. eta vs tors. theta energy: -164.155 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: 263 Temperature: 1.100000 Total energy: -1960.678181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.678181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.678181 (E_RNA) where: Base-Base interactions energy: -1380.859 where: short stacking energy: -567.172 Base-Backbone interact. energy: 10.337 local terms energy: -590.156266 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -109.437 flat angles C4'-P-C4' energy: -142.791 flat angles P-C4'-P energy: -81.135 tors. eta vs tors. theta energy: -151.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1713.234343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.234343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.234343 (E_RNA) where: Base-Base interactions energy: -1173.686 where: short stacking energy: -535.107 Base-Backbone interact. energy: -2.417 local terms energy: -537.131510 where: bonds (distance) C4'-P energy: -102.474 bonds (distance) P-C4' energy: -108.602 flat angles C4'-P-C4' energy: -137.610 flat angles P-C4'-P energy: -65.515 tors. eta vs tors. theta energy: -122.930 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: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1649.573737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.573737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.573737 (E_RNA) where: Base-Base interactions energy: -1093.090 where: short stacking energy: -465.270 Base-Backbone interact. energy: -2.749 local terms energy: -553.734973 where: bonds (distance) C4'-P energy: -103.012 bonds (distance) P-C4' energy: -116.200 flat angles C4'-P-C4' energy: -134.349 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -125.878 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: 263 Temperature: 1.250000 Total energy: -1109.517861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.517861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.517861 (E_RNA) where: Base-Base interactions energy: -668.589 where: short stacking energy: -322.798 Base-Backbone interact. energy: -0.440 local terms energy: -440.489711 where: bonds (distance) C4'-P energy: -106.334 bonds (distance) P-C4' energy: -102.035 flat angles C4'-P-C4' energy: -114.185 flat angles P-C4'-P energy: -50.814 tors. eta vs tors. theta energy: -67.121 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: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1102.969211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.969211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.969211 (E_RNA) where: Base-Base interactions energy: -680.252 where: short stacking energy: -350.160 Base-Backbone interact. energy: 2.488 local terms energy: -425.204835 where: bonds (distance) C4'-P energy: -99.604 bonds (distance) P-C4' energy: -95.568 flat angles C4'-P-C4' energy: -109.947 flat angles P-C4'-P energy: -58.173 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: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -678.269149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.269149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.269149 (E_RNA) where: Base-Base interactions energy: -321.364 where: short stacking energy: -189.165 Base-Backbone interact. energy: -4.783 local terms energy: -352.122367 where: bonds (distance) C4'-P energy: -117.262 bonds (distance) P-C4' energy: -115.624 flat angles C4'-P-C4' energy: -73.593 flat angles P-C4'-P energy: -51.161 tors. eta vs tors. theta energy: 5.519 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: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2389.804743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.804743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.804743 (E_RNA) where: Base-Base interactions energy: -1631.411 where: short stacking energy: -689.501 Base-Backbone interact. energy: -4.536 local terms energy: -753.857910 where: bonds (distance) C4'-P energy: -131.496 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -159.507 flat angles P-C4'-P energy: -107.955 tors. eta vs tors. theta energy: -211.147 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: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2295.696118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.696118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.696118 (E_RNA) where: Base-Base interactions energy: -1583.124 where: short stacking energy: -681.666 Base-Backbone interact. energy: -4.096 local terms energy: -708.475585 where: bonds (distance) C4'-P energy: -122.505 bonds (distance) P-C4' energy: -133.185 flat angles C4'-P-C4' energy: -148.108 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -196.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2211.893581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.893581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.893581 (E_RNA) where: Base-Base interactions energy: -1549.838 where: short stacking energy: -651.629 Base-Backbone interact. energy: -2.783 local terms energy: -659.273145 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -120.764 flat angles C4'-P-C4' energy: -147.646 flat angles P-C4'-P energy: -91.339 tors. eta vs tors. theta energy: -185.691 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: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2055.111173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.111173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.111173 (E_RNA) where: Base-Base interactions energy: -1405.459 where: short stacking energy: -593.561 Base-Backbone interact. energy: -4.540 local terms energy: -645.112077 where: bonds (distance) C4'-P energy: -110.200 bonds (distance) P-C4' energy: -112.232 flat angles C4'-P-C4' energy: -143.017 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -176.983 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: 5 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1924.974172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.974172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.974172 (E_RNA) where: Base-Base interactions energy: -1343.185 where: short stacking energy: -544.126 Base-Backbone interact. energy: 1.947 local terms energy: -583.735562 where: bonds (distance) C4'-P energy: -112.091 bonds (distance) P-C4' energy: -120.109 flat angles C4'-P-C4' energy: -129.737 flat angles P-C4'-P energy: -69.471 tors. eta vs tors. theta energy: -152.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1762.904671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.904671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.904671 (E_RNA) where: Base-Base interactions energy: -1169.546 where: short stacking energy: -514.566 Base-Backbone interact. energy: -0.836 local terms energy: -592.522627 where: bonds (distance) C4'-P energy: -114.868 bonds (distance) P-C4' energy: -119.498 flat angles C4'-P-C4' energy: -137.429 flat angles P-C4'-P energy: -77.373 tors. eta vs tors. theta energy: -143.355 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: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1654.712050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.712050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.712050 (E_RNA) where: Base-Base interactions energy: -1094.047 where: short stacking energy: -476.872 Base-Backbone interact. energy: -0.086 local terms energy: -560.578647 where: bonds (distance) C4'-P energy: -121.666 bonds (distance) P-C4' energy: -116.524 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -74.736 tors. eta vs tors. theta energy: -120.244 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: 264 Temperature: 1.250000 Total energy: -1112.462856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.462856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.462856 (E_RNA) where: Base-Base interactions energy: -671.873 where: short stacking energy: -343.077 Base-Backbone interact. energy: -1.562 local terms energy: -439.027170 where: bonds (distance) C4'-P energy: -111.514 bonds (distance) P-C4' energy: -107.470 flat angles C4'-P-C4' energy: -102.582 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -52.111 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1135.147393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.147393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.147393 (E_RNA) where: Base-Base interactions energy: -677.854 where: short stacking energy: -324.667 Base-Backbone interact. energy: -0.341 local terms energy: -456.951968 where: bonds (distance) C4'-P energy: -97.664 bonds (distance) P-C4' energy: -111.569 flat angles C4'-P-C4' energy: -100.214 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -72.469 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: 10, replica: 4 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -670.622066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.622066 (E_RNA) where: Base-Base interactions energy: -338.523 where: short stacking energy: -196.304 Base-Backbone interact. energy: 3.514 local terms energy: -335.613514 where: bonds (distance) C4'-P energy: -89.306 bonds (distance) P-C4' energy: -117.179 flat angles C4'-P-C4' energy: -97.376 flat angles P-C4'-P energy: -26.123 tors. eta vs tors. theta energy: -5.629 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: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2354.990965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.990965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.990965 (E_RNA) where: Base-Base interactions energy: -1615.264 where: short stacking energy: -704.365 Base-Backbone interact. energy: -2.796 local terms energy: -736.931088 where: bonds (distance) C4'-P energy: -129.977 bonds (distance) P-C4' energy: -126.867 flat angles C4'-P-C4' energy: -151.536 flat angles P-C4'-P energy: -108.487 tors. eta vs tors. theta energy: -220.064 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: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2340.001206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.001206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.001206 (E_RNA) where: Base-Base interactions energy: -1610.863 where: short stacking energy: -681.252 Base-Backbone interact. energy: -4.728 local terms energy: -724.410206 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -140.280 flat angles C4'-P-C4' energy: -148.076 flat angles P-C4'-P energy: -102.732 tors. eta vs tors. theta energy: -201.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2241.932842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.932842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.932842 (E_RNA) where: Base-Base interactions energy: -1547.021 where: short stacking energy: -634.098 Base-Backbone interact. energy: -2.355 local terms energy: -692.556688 where: bonds (distance) C4'-P energy: -139.677 bonds (distance) P-C4' energy: -125.314 flat angles C4'-P-C4' energy: -140.282 flat angles P-C4'-P energy: -97.303 tors. eta vs tors. theta energy: -189.980 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: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2097.702168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.702168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.702168 (E_RNA) where: Base-Base interactions energy: -1442.040 where: short stacking energy: -617.209 Base-Backbone interact. energy: -1.233 local terms energy: -654.428713 where: bonds (distance) C4'-P energy: -122.810 bonds (distance) P-C4' energy: -118.181 flat angles C4'-P-C4' energy: -143.117 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -176.334 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: 5 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1916.368994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.368994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.368994 (E_RNA) where: Base-Base interactions energy: -1333.216 where: short stacking energy: -526.687 Base-Backbone interact. energy: -0.259 local terms energy: -582.893483 where: bonds (distance) C4'-P energy: -104.713 bonds (distance) P-C4' energy: -137.313 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -138.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1731.787834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.787834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.787834 (E_RNA) where: Base-Base interactions energy: -1155.410 where: short stacking energy: -510.782 Base-Backbone interact. energy: 1.347 local terms energy: -577.724531 where: bonds (distance) C4'-P energy: -105.453 bonds (distance) P-C4' energy: -119.809 flat angles C4'-P-C4' energy: -131.823 flat angles P-C4'-P energy: -79.473 tors. eta vs tors. theta energy: -141.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1489.881853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.881853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.881853 (E_RNA) where: Base-Base interactions energy: -979.708 where: short stacking energy: -418.029 Base-Backbone interact. energy: -4.248 local terms energy: -505.926064 where: bonds (distance) C4'-P energy: -94.168 bonds (distance) P-C4' energy: -104.278 flat angles C4'-P-C4' energy: -118.963 flat angles P-C4'-P energy: -79.213 tors. eta vs tors. theta energy: -109.304 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: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1136.050250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.050250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.050250 (E_RNA) where: Base-Base interactions energy: -681.691 where: short stacking energy: -329.322 Base-Backbone interact. energy: 5.944 local terms energy: -460.303187 where: bonds (distance) C4'-P energy: -105.416 bonds (distance) P-C4' energy: -116.248 flat angles C4'-P-C4' energy: -112.624 flat angles P-C4'-P energy: -66.259 tors. eta vs tors. theta energy: -59.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1090.859305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.859305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.859305 (E_RNA) where: Base-Base interactions energy: -645.090 where: short stacking energy: -304.011 Base-Backbone interact. energy: 0.632 local terms energy: -446.402008 where: bonds (distance) C4'-P energy: -102.839 bonds (distance) P-C4' energy: -115.684 flat angles C4'-P-C4' energy: -100.808 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -53.725 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: 10, replica: 4 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -718.948607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.948607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.948607 (E_RNA) where: Base-Base interactions energy: -363.269 where: short stacking energy: -208.103 Base-Backbone interact. energy: -3.271 local terms energy: -352.408806 where: bonds (distance) C4'-P energy: -106.037 bonds (distance) P-C4' energy: -108.644 flat angles C4'-P-C4' energy: -84.001 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -17.767 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: 1, replica: 7 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2352.179230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.179230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.179230 (E_RNA) where: Base-Base interactions energy: -1635.724 where: short stacking energy: -701.941 Base-Backbone interact. energy: -2.528 local terms energy: -713.927200 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -131.147 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -205.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2294.469169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.469169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.469169 (E_RNA) where: Base-Base interactions energy: -1609.447 where: short stacking energy: -688.525 Base-Backbone interact. energy: -1.272 local terms energy: -683.750068 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -116.790 flat angles C4'-P-C4' energy: -147.640 flat angles P-C4'-P energy: -92.874 tors. eta vs tors. theta energy: -208.772 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: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2254.776207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.776207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.776207 (E_RNA) where: Base-Base interactions energy: -1537.477 where: short stacking energy: -662.393 Base-Backbone interact. energy: -4.167 local terms energy: -713.132364 where: bonds (distance) C4'-P energy: -136.165 bonds (distance) P-C4' energy: -136.698 flat angles C4'-P-C4' energy: -151.800 flat angles P-C4'-P energy: -95.331 tors. eta vs tors. theta energy: -193.138 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: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2088.616896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.616896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.616896 (E_RNA) where: Base-Base interactions energy: -1420.290 where: short stacking energy: -619.925 Base-Backbone interact. energy: -0.920 local terms energy: -667.406842 where: bonds (distance) C4'-P energy: -115.779 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -143.476 flat angles P-C4'-P energy: -101.313 tors. eta vs tors. theta energy: -191.018 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: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1862.297787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.297787 (E_RNA) where: Base-Base interactions energy: -1274.496 where: short stacking energy: -559.171 Base-Backbone interact. energy: -0.998 local terms energy: -586.803723 where: bonds (distance) C4'-P energy: -111.502 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -115.155 flat angles P-C4'-P energy: -95.724 tors. eta vs tors. theta energy: -153.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1739.825581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.825581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.825581 (E_RNA) where: Base-Base interactions energy: -1171.721 where: short stacking energy: -502.936 Base-Backbone interact. energy: -2.286 local terms energy: -565.818573 where: bonds (distance) C4'-P energy: -97.276 bonds (distance) P-C4' energy: -121.018 flat angles C4'-P-C4' energy: -135.490 flat angles P-C4'-P energy: -85.551 tors. eta vs tors. theta energy: -126.483 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: 266 Temperature: 1.200000 Total energy: -1518.466820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.466820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.466820 (E_RNA) where: Base-Base interactions energy: -1026.616 where: short stacking energy: -434.794 Base-Backbone interact. energy: -2.495 local terms energy: -489.355280 where: bonds (distance) C4'-P energy: -116.658 bonds (distance) P-C4' energy: -105.251 flat angles C4'-P-C4' energy: -108.904 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -98.594 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: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1107.267374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.267374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.267374 (E_RNA) where: Base-Base interactions energy: -648.863 where: short stacking energy: -300.406 Base-Backbone interact. energy: -2.045 local terms energy: -456.359846 where: bonds (distance) C4'-P energy: -117.971 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -112.394 flat angles P-C4'-P energy: -64.421 tors. eta vs tors. theta energy: -47.609 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: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1060.619154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.619154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.619154 (E_RNA) where: Base-Base interactions energy: -637.345 where: short stacking energy: -293.300 Base-Backbone interact. energy: -2.119 local terms energy: -421.155238 where: bonds (distance) C4'-P energy: -113.145 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -64.186 tors. eta vs tors. theta energy: -50.619 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: 10, replica: 4 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -791.281533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.281533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.281533 (E_RNA) where: Base-Base interactions energy: -450.478 where: short stacking energy: -237.364 Base-Backbone interact. energy: -2.799 local terms energy: -338.004401 where: bonds (distance) C4'-P energy: -76.992 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -95.312 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -5.520 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: 7 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2386.726096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.726096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.726096 (E_RNA) where: Base-Base interactions energy: -1645.522 where: short stacking energy: -696.143 Base-Backbone interact. energy: 2.146 local terms energy: -743.350251 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -140.344 flat angles C4'-P-C4' energy: -156.505 flat angles P-C4'-P energy: -100.199 tors. eta vs tors. theta energy: -214.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2269.734675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.734675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.734675 (E_RNA) where: Base-Base interactions energy: -1585.218 where: short stacking energy: -662.790 Base-Backbone interact. energy: -1.757 local terms energy: -682.759903 where: bonds (distance) C4'-P energy: -109.841 bonds (distance) P-C4' energy: -125.988 flat angles C4'-P-C4' energy: -145.259 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -202.564 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: 3, replica: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2249.781484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.781484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.781484 (E_RNA) where: Base-Base interactions energy: -1567.001 where: short stacking energy: -662.496 Base-Backbone interact. energy: -2.002 local terms energy: -680.778730 where: bonds (distance) C4'-P energy: -119.742 bonds (distance) P-C4' energy: -129.298 flat angles C4'-P-C4' energy: -146.387 flat angles P-C4'-P energy: -91.919 tors. eta vs tors. theta energy: -193.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2105.562462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.562462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.562462 (E_RNA) where: Base-Base interactions energy: -1428.972 where: short stacking energy: -623.431 Base-Backbone interact. energy: 0.039 local terms energy: -676.629242 where: bonds (distance) C4'-P energy: -123.842 bonds (distance) P-C4' energy: -128.455 flat angles C4'-P-C4' energy: -134.017 flat angles P-C4'-P energy: -103.691 tors. eta vs tors. theta energy: -186.624 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: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1913.782851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.782851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.782851 (E_RNA) where: Base-Base interactions energy: -1342.276 where: short stacking energy: -561.332 Base-Backbone interact. energy: -2.373 local terms energy: -569.133489 where: bonds (distance) C4'-P energy: -101.629 bonds (distance) P-C4' energy: -123.469 flat angles C4'-P-C4' energy: -125.740 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -140.323 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: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1806.020174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.020174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.020174 (E_RNA) where: Base-Base interactions energy: -1195.587 where: short stacking energy: -509.333 Base-Backbone interact. energy: -1.507 local terms energy: -608.925850 where: bonds (distance) C4'-P energy: -120.776 bonds (distance) P-C4' energy: -126.214 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -106.613 tors. eta vs tors. theta energy: -140.481 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: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1501.553544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.553544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.553544 (E_RNA) where: Base-Base interactions energy: -979.097 where: short stacking energy: -441.928 Base-Backbone interact. energy: 4.803 local terms energy: -527.259776 where: bonds (distance) C4'-P energy: -112.409 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -125.041 flat angles P-C4'-P energy: -76.804 tors. eta vs tors. theta energy: -111.351 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: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1107.271239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.271239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.271239 (E_RNA) where: Base-Base interactions energy: -650.155 where: short stacking energy: -335.391 Base-Backbone interact. energy: 0.046 local terms energy: -457.161913 where: bonds (distance) C4'-P energy: -105.279 bonds (distance) P-C4' energy: -104.836 flat angles C4'-P-C4' energy: -130.037 flat angles P-C4'-P energy: -57.982 tors. eta vs tors. theta energy: -59.029 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: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -999.266966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.266966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.266966 (E_RNA) where: Base-Base interactions energy: -564.923 where: short stacking energy: -281.027 Base-Backbone interact. energy: 5.162 local terms energy: -439.505820 where: bonds (distance) C4'-P energy: -116.520 bonds (distance) P-C4' energy: -125.255 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: -30.605 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: 4 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -739.593485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.593485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.593485 (E_RNA) where: Base-Base interactions energy: -352.570 where: short stacking energy: -203.390 Base-Backbone interact. energy: -2.993 local terms energy: -384.030536 where: bonds (distance) C4'-P energy: -96.068 bonds (distance) P-C4' energy: -119.990 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -64.259 tors. eta vs tors. theta energy: -6.083 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: 7 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2357.645539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.645539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.645539 (E_RNA) where: Base-Base interactions energy: -1642.933 where: short stacking energy: -685.500 Base-Backbone interact. energy: 0.403 local terms energy: -715.114827 where: bonds (distance) C4'-P energy: -126.512 bonds (distance) P-C4' energy: -135.317 flat angles C4'-P-C4' energy: -145.132 flat angles P-C4'-P energy: -99.924 tors. eta vs tors. theta energy: -208.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2265.779083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.779083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.779083 (E_RNA) where: Base-Base interactions energy: -1576.584 where: short stacking energy: -649.604 Base-Backbone interact. energy: -2.489 local terms energy: -686.706853 where: bonds (distance) C4'-P energy: -139.757 bonds (distance) P-C4' energy: -128.307 flat angles C4'-P-C4' energy: -138.768 flat angles P-C4'-P energy: -89.912 tors. eta vs tors. theta energy: -189.962 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: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2249.977692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.977692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.977692 (E_RNA) where: Base-Base interactions energy: -1543.114 where: short stacking energy: -637.529 Base-Backbone interact. energy: -0.892 local terms energy: -705.972170 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -143.348 flat angles P-C4'-P energy: -104.941 tors. eta vs tors. theta energy: -198.386 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: 4, replica: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2101.380032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.380032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.380032 (E_RNA) where: Base-Base interactions energy: -1447.138 where: short stacking energy: -596.556 Base-Backbone interact. energy: 0.973 local terms energy: -655.214456 where: bonds (distance) C4'-P energy: -123.913 bonds (distance) P-C4' energy: -122.614 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -99.886 tors. eta vs tors. theta energy: -167.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1927.309381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.309381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.309381 (E_RNA) where: Base-Base interactions energy: -1334.805 where: short stacking energy: -539.479 Base-Backbone interact. energy: -2.695 local terms energy: -589.808918 where: bonds (distance) C4'-P energy: -114.106 bonds (distance) P-C4' energy: -127.494 flat angles C4'-P-C4' energy: -126.673 flat angles P-C4'-P energy: -80.979 tors. eta vs tors. theta energy: -140.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1780.894072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.894072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.894072 (E_RNA) where: Base-Base interactions energy: -1211.122 where: short stacking energy: -541.397 Base-Backbone interact. energy: 0.118 local terms energy: -569.890727 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -113.425 flat angles C4'-P-C4' energy: -130.942 flat angles P-C4'-P energy: -86.674 tors. eta vs tors. theta energy: -133.985 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: 268 Temperature: 1.200000 Total energy: -1600.996807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.996807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.996807 (E_RNA) where: Base-Base interactions energy: -1056.352 where: short stacking energy: -458.003 Base-Backbone interact. energy: -1.913 local terms energy: -542.732218 where: bonds (distance) C4'-P energy: -119.468 bonds (distance) P-C4' energy: -111.442 flat angles C4'-P-C4' energy: -118.716 flat angles P-C4'-P energy: -72.917 tors. eta vs tors. theta energy: -120.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1166.181854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.181854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.181854 (E_RNA) where: Base-Base interactions energy: -694.269 where: short stacking energy: -332.552 Base-Backbone interact. energy: -2.142 local terms energy: -469.771043 where: bonds (distance) C4'-P energy: -120.001 bonds (distance) P-C4' energy: -117.318 flat angles C4'-P-C4' energy: -107.117 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -68.391 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: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1034.663759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.663759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.663759 (E_RNA) where: Base-Base interactions energy: -622.263 where: short stacking energy: -323.348 Base-Backbone interact. energy: -2.971 local terms energy: -409.430267 where: bonds (distance) C4'-P energy: -108.460 bonds (distance) P-C4' energy: -120.828 flat angles C4'-P-C4' energy: -73.191 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -45.531 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: 10, replica: 4 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -711.724475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.724475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.724475 (E_RNA) where: Base-Base interactions energy: -361.064 where: short stacking energy: -200.037 Base-Backbone interact. energy: 2.731 local terms energy: -353.391191 where: bonds (distance) C4'-P energy: -100.999 bonds (distance) P-C4' energy: -113.161 flat angles C4'-P-C4' energy: -108.825 flat angles P-C4'-P energy: -46.612 tors. eta vs tors. theta energy: 16.204 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: 7 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2363.183220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.183220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.183220 (E_RNA) where: Base-Base interactions energy: -1646.477 where: short stacking energy: -690.932 Base-Backbone interact. energy: 0.460 local terms energy: -717.165920 where: bonds (distance) C4'-P energy: -126.866 bonds (distance) P-C4' energy: -140.460 flat angles C4'-P-C4' energy: -143.047 flat angles P-C4'-P energy: -98.962 tors. eta vs tors. theta energy: -207.831 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: 2, replica: 1 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2314.726927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.726927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.726927 (E_RNA) where: Base-Base interactions energy: -1602.316 where: short stacking energy: -686.956 Base-Backbone interact. energy: -1.108 local terms energy: -711.302963 where: bonds (distance) C4'-P energy: -132.227 bonds (distance) P-C4' energy: -131.604 flat angles C4'-P-C4' energy: -144.892 flat angles P-C4'-P energy: -98.062 tors. eta vs tors. theta energy: -204.518 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: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2219.687470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.687470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.687470 (E_RNA) where: Base-Base interactions energy: -1561.642 where: short stacking energy: -640.068 Base-Backbone interact. energy: -1.492 local terms energy: -656.553875 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -126.763 flat angles C4'-P-C4' energy: -142.164 flat angles P-C4'-P energy: -96.899 tors. eta vs tors. theta energy: -174.753 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: 4, replica: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2080.404848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.404848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.404848 (E_RNA) where: Base-Base interactions energy: -1461.709 where: short stacking energy: -609.690 Base-Backbone interact. energy: -2.403 local terms energy: -616.292668 where: bonds (distance) C4'-P energy: -112.517 bonds (distance) P-C4' energy: -98.452 flat angles C4'-P-C4' energy: -138.083 flat angles P-C4'-P energy: -87.525 tors. eta vs tors. theta energy: -179.715 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: 5, replica: 5 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1912.182470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.182470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.182470 (E_RNA) where: Base-Base interactions energy: -1319.033 where: short stacking energy: -539.661 Base-Backbone interact. energy: -1.721 local terms energy: -591.429039 where: bonds (distance) C4'-P energy: -107.709 bonds (distance) P-C4' energy: -128.257 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -82.997 tors. eta vs tors. theta energy: -134.000 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: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1668.656884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.656884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.656884 (E_RNA) where: Base-Base interactions energy: -1117.457 where: short stacking energy: -487.699 Base-Backbone interact. energy: -4.326 local terms energy: -546.873571 where: bonds (distance) C4'-P energy: -107.800 bonds (distance) P-C4' energy: -118.361 flat angles C4'-P-C4' energy: -128.472 flat angles P-C4'-P energy: -78.900 tors. eta vs tors. theta energy: -113.341 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1697.596385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.596385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.596385 (E_RNA) where: Base-Base interactions energy: -1132.567 where: short stacking energy: -513.189 Base-Backbone interact. energy: -0.447 local terms energy: -564.582713 where: bonds (distance) C4'-P energy: -110.270 bonds (distance) P-C4' energy: -115.613 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -137.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1223.016272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.016272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.016272 (E_RNA) where: Base-Base interactions energy: -732.353 where: short stacking energy: -346.340 Base-Backbone interact. energy: -2.331 local terms energy: -488.332000 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -121.560 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: -72.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1008.929232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.929232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.929232 (E_RNA) where: Base-Base interactions energy: -604.132 where: short stacking energy: -281.600 Base-Backbone interact. energy: 0.320 local terms energy: -405.118050 where: bonds (distance) C4'-P energy: -97.070 bonds (distance) P-C4' energy: -119.791 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -54.272 tors. eta vs tors. theta energy: -33.427 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: 4 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -649.500157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.500157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.500157 (E_RNA) where: Base-Base interactions energy: -331.193 where: short stacking energy: -191.175 Base-Backbone interact. energy: -2.656 local terms energy: -315.651885 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -95.827 flat angles C4'-P-C4' energy: -83.903 flat angles P-C4'-P energy: -55.890 tors. eta vs tors. theta energy: 6.505 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: 1, replica: 7 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2365.931015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.931015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.931015 (E_RNA) where: Base-Base interactions energy: -1642.985 where: short stacking energy: -668.679 Base-Backbone interact. energy: -2.762 local terms energy: -720.184366 where: bonds (distance) C4'-P energy: -127.845 bonds (distance) P-C4' energy: -133.597 flat angles C4'-P-C4' energy: -152.750 flat angles P-C4'-P energy: -105.544 tors. eta vs tors. theta energy: -200.449 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: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2307.638305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.638305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.638305 (E_RNA) where: Base-Base interactions energy: -1604.978 where: short stacking energy: -682.610 Base-Backbone interact. energy: 0.007 local terms energy: -702.667937 where: bonds (distance) C4'-P energy: -126.526 bonds (distance) P-C4' energy: -132.401 flat angles C4'-P-C4' energy: -155.726 flat angles P-C4'-P energy: -91.688 tors. eta vs tors. theta energy: -196.326 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: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2189.533484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.533484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.533484 (E_RNA) where: Base-Base interactions energy: -1523.840 where: short stacking energy: -613.888 Base-Backbone interact. energy: -3.448 local terms energy: -662.246038 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -122.268 flat angles C4'-P-C4' energy: -131.474 flat angles P-C4'-P energy: -98.063 tors. eta vs tors. theta energy: -180.556 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: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2099.395252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.395252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.395252 (E_RNA) where: Base-Base interactions energy: -1429.767 where: short stacking energy: -603.485 Base-Backbone interact. energy: -1.092 local terms energy: -668.535911 where: bonds (distance) C4'-P energy: -128.527 bonds (distance) P-C4' energy: -132.815 flat angles C4'-P-C4' energy: -144.345 flat angles P-C4'-P energy: -79.141 tors. eta vs tors. theta energy: -183.708 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: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1937.339107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.339107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.339107 (E_RNA) where: Base-Base interactions energy: -1332.854 where: short stacking energy: -550.218 Base-Backbone interact. energy: -0.388 local terms energy: -604.097640 where: bonds (distance) C4'-P energy: -100.786 bonds (distance) P-C4' energy: -125.123 flat angles C4'-P-C4' energy: -142.817 flat angles P-C4'-P energy: -92.330 tors. eta vs tors. theta energy: -143.041 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: 6, replica: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1738.603247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.603247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.603247 (E_RNA) where: Base-Base interactions energy: -1170.366 where: short stacking energy: -497.683 Base-Backbone interact. energy: -3.102 local terms energy: -565.135242 where: bonds (distance) C4'-P energy: -117.218 bonds (distance) P-C4' energy: -115.349 flat angles C4'-P-C4' energy: -126.055 flat angles P-C4'-P energy: -73.280 tors. eta vs tors. theta energy: -133.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1683.586120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.586120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.586120 (E_RNA) where: Base-Base interactions energy: -1166.457 where: short stacking energy: -515.598 Base-Backbone interact. energy: 0.090 local terms energy: -517.218530 where: bonds (distance) C4'-P energy: -97.038 bonds (distance) P-C4' energy: -111.900 flat angles C4'-P-C4' energy: -123.110 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -132.402 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: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1148.014260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.014260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.014260 (E_RNA) where: Base-Base interactions energy: -718.861 where: short stacking energy: -319.849 Base-Backbone interact. energy: -1.911 local terms energy: -427.242094 where: bonds (distance) C4'-P energy: -120.177 bonds (distance) P-C4' energy: -89.994 flat angles C4'-P-C4' energy: -92.720 flat angles P-C4'-P energy: -66.809 tors. eta vs tors. theta energy: -57.542 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: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1013.906568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.906568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.906568 (E_RNA) where: Base-Base interactions energy: -571.723 where: short stacking energy: -283.531 Base-Backbone interact. energy: -0.237 local terms energy: -441.947040 where: bonds (distance) C4'-P energy: -115.924 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -77.115 tors. eta vs tors. theta energy: -30.236 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: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -640.430945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.430945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.430945 (E_RNA) where: Base-Base interactions energy: -309.213 where: short stacking energy: -189.782 Base-Backbone interact. energy: -1.320 local terms energy: -329.897735 where: bonds (distance) C4'-P energy: -99.137 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -55.921 tors. eta vs tors. theta energy: 6.492 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: 7 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2379.401930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.401930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.401930 (E_RNA) where: Base-Base interactions energy: -1634.749 where: short stacking energy: -690.481 Base-Backbone interact. energy: -4.566 local terms energy: -740.086534 where: bonds (distance) C4'-P energy: -132.211 bonds (distance) P-C4' energy: -128.125 flat angles C4'-P-C4' energy: -157.679 flat angles P-C4'-P energy: -108.427 tors. eta vs tors. theta energy: -213.644 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: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2338.032207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.032207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.032207 (E_RNA) where: Base-Base interactions energy: -1613.742 where: short stacking energy: -693.456 Base-Backbone interact. energy: -4.921 local terms energy: -719.369452 where: bonds (distance) C4'-P energy: -139.392 bonds (distance) P-C4' energy: -126.189 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -107.342 tors. eta vs tors. theta energy: -207.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2130.985193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.985193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.985193 (E_RNA) where: Base-Base interactions energy: -1464.868 where: short stacking energy: -608.073 Base-Backbone interact. energy: -2.496 local terms energy: -663.621363 where: bonds (distance) C4'-P energy: -124.081 bonds (distance) P-C4' energy: -125.717 flat angles C4'-P-C4' energy: -147.488 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -175.159 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: 271 Temperature: 1.050000 Total energy: -2122.568870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.568870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.568870 (E_RNA) where: Base-Base interactions energy: -1414.945 where: short stacking energy: -617.193 Base-Backbone interact. energy: -3.174 local terms energy: -704.450034 where: bonds (distance) C4'-P energy: -133.416 bonds (distance) P-C4' energy: -137.709 flat angles C4'-P-C4' energy: -147.834 flat angles P-C4'-P energy: -98.192 tors. eta vs tors. theta energy: -187.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2021.141394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.141394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.141394 (E_RNA) where: Base-Base interactions energy: -1429.000 where: short stacking energy: -577.787 Base-Backbone interact. energy: -4.782 local terms energy: -587.358977 where: bonds (distance) C4'-P energy: -105.551 bonds (distance) P-C4' energy: -107.753 flat angles C4'-P-C4' energy: -136.849 flat angles P-C4'-P energy: -89.999 tors. eta vs tors. theta energy: -147.206 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: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1742.070955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.070955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.070955 (E_RNA) where: Base-Base interactions energy: -1177.274 where: short stacking energy: -508.021 Base-Backbone interact. energy: 0.786 local terms energy: -565.582547 where: bonds (distance) C4'-P energy: -116.754 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -129.081 flat angles P-C4'-P energy: -83.229 tors. eta vs tors. theta energy: -126.629 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: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1717.509076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.509076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.509076 (E_RNA) where: Base-Base interactions energy: -1146.256 where: short stacking energy: -494.094 Base-Backbone interact. energy: 2.631 local terms energy: -573.883994 where: bonds (distance) C4'-P energy: -107.841 bonds (distance) P-C4' energy: -112.003 flat angles C4'-P-C4' energy: -125.794 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -144.595 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: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1199.024904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.024904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.024904 (E_RNA) where: Base-Base interactions energy: -723.652 where: short stacking energy: -331.081 Base-Backbone interact. energy: 0.505 local terms energy: -475.878458 where: bonds (distance) C4'-P energy: -111.834 bonds (distance) P-C4' energy: -116.939 flat angles C4'-P-C4' energy: -122.603 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -66.494 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: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1020.734025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.734025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.734025 (E_RNA) where: Base-Base interactions energy: -586.304 where: short stacking energy: -282.416 Base-Backbone interact. energy: 0.582 local terms energy: -435.012316 where: bonds (distance) C4'-P energy: -110.818 bonds (distance) P-C4' energy: -121.329 flat angles C4'-P-C4' energy: -109.850 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -29.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -619.553786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.553786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.553786 (E_RNA) where: Base-Base interactions energy: -290.125 where: short stacking energy: -174.395 Base-Backbone interact. energy: 5.059 local terms energy: -334.487659 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -102.052 flat angles C4'-P-C4' energy: -87.228 flat angles P-C4'-P energy: -55.740 tors. eta vs tors. theta energy: 9.203 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: 272 Temperature: 0.900000 Total energy: -2363.046475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.046475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.046475 (E_RNA) where: Base-Base interactions energy: -1641.122 where: short stacking energy: -670.329 Base-Backbone interact. energy: -1.343 local terms energy: -720.581526 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -131.597 flat angles C4'-P-C4' energy: -157.841 flat angles P-C4'-P energy: -102.148 tors. eta vs tors. theta energy: -206.164 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: 272 Temperature: 0.950000 Total energy: -2330.551054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.551054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.551054 (E_RNA) where: Base-Base interactions energy: -1602.720 where: short stacking energy: -662.275 Base-Backbone interact. energy: -0.977 local terms energy: -726.854391 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -133.986 flat angles C4'-P-C4' energy: -168.412 flat angles P-C4'-P energy: -107.327 tors. eta vs tors. theta energy: -199.286 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: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2179.630432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.630432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.630432 (E_RNA) where: Base-Base interactions energy: -1507.307 where: short stacking energy: -641.276 Base-Backbone interact. energy: -1.263 local terms energy: -671.060209 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -116.959 flat angles C4'-P-C4' energy: -143.954 flat angles P-C4'-P energy: -103.681 tors. eta vs tors. theta energy: -180.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2110.778097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.778097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.778097 (E_RNA) where: Base-Base interactions energy: -1437.645 where: short stacking energy: -600.747 Base-Backbone interact. energy: 2.162 local terms energy: -675.295345 where: bonds (distance) C4'-P energy: -127.071 bonds (distance) P-C4' energy: -128.711 flat angles C4'-P-C4' energy: -140.908 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -179.051 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: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1942.430017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.430017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.430017 (E_RNA) where: Base-Base interactions energy: -1361.787 where: short stacking energy: -538.156 Base-Backbone interact. energy: 2.587 local terms energy: -583.230143 where: bonds (distance) C4'-P energy: -116.624 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -132.516 flat angles P-C4'-P energy: -85.034 tors. eta vs tors. theta energy: -144.746 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1715.590176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.590176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.590176 (E_RNA) where: Base-Base interactions energy: -1141.930 where: short stacking energy: -477.790 Base-Backbone interact. energy: -1.197 local terms energy: -572.463022 where: bonds (distance) C4'-P energy: -107.905 bonds (distance) P-C4' energy: -133.524 flat angles C4'-P-C4' energy: -127.947 flat angles P-C4'-P energy: -78.807 tors. eta vs tors. theta energy: -124.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1748.720426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.720426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.720426 (E_RNA) where: Base-Base interactions energy: -1188.845 where: short stacking energy: -523.108 Base-Backbone interact. energy: -0.807 local terms energy: -559.068576 where: bonds (distance) C4'-P energy: -113.322 bonds (distance) P-C4' energy: -104.646 flat angles C4'-P-C4' energy: -120.555 flat angles P-C4'-P energy: -78.921 tors. eta vs tors. theta energy: -141.624 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: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1225.930725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.930725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.930725 (E_RNA) where: Base-Base interactions energy: -739.194 where: short stacking energy: -362.323 Base-Backbone interact. energy: -3.089 local terms energy: -483.648223 where: bonds (distance) C4'-P energy: -109.432 bonds (distance) P-C4' energy: -134.534 flat angles C4'-P-C4' energy: -125.256 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: -60.633 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: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1036.604831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.604831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.604831 (E_RNA) where: Base-Base interactions energy: -626.675 where: short stacking energy: -318.993 Base-Backbone interact. energy: 5.531 local terms energy: -415.461277 where: bonds (distance) C4'-P energy: -100.513 bonds (distance) P-C4' energy: -103.779 flat angles C4'-P-C4' energy: -91.221 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: -50.849 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: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -613.951893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.951893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.951893 (E_RNA) where: Base-Base interactions energy: -292.674 where: short stacking energy: -192.936 Base-Backbone interact. energy: -4.050 local terms energy: -317.227393 where: bonds (distance) C4'-P energy: -102.241 bonds (distance) P-C4' energy: -87.038 flat angles C4'-P-C4' energy: -94.938 flat angles P-C4'-P energy: -34.546 tors. eta vs tors. theta energy: 1.534 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2382.269760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.269760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.269760 (E_RNA) where: Base-Base interactions energy: -1633.477 where: short stacking energy: -693.794 Base-Backbone interact. energy: -4.476 local terms energy: -744.316323 where: bonds (distance) C4'-P energy: -142.040 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -147.980 flat angles P-C4'-P energy: -110.728 tors. eta vs tors. theta energy: -203.468 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: 273 Temperature: 0.950000 Total energy: -2302.197567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.197567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.197567 (E_RNA) where: Base-Base interactions energy: -1576.404 where: short stacking energy: -669.102 Base-Backbone interact. energy: -2.420 local terms energy: -723.373289 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -128.636 flat angles C4'-P-C4' energy: -143.088 flat angles P-C4'-P energy: -100.136 tors. eta vs tors. theta energy: -211.921 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: 3, replica: 10 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2203.413055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.413055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.413055 (E_RNA) where: Base-Base interactions energy: -1508.507 where: short stacking energy: -640.055 Base-Backbone interact. energy: 0.091 local terms energy: -694.996456 where: bonds (distance) C4'-P energy: -126.479 bonds (distance) P-C4' energy: -138.977 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -186.522 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: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2069.510249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.510249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.510249 (E_RNA) where: Base-Base interactions energy: -1419.720 where: short stacking energy: -586.213 Base-Backbone interact. energy: -3.037 local terms energy: -646.753909 where: bonds (distance) C4'-P energy: -116.098 bonds (distance) P-C4' energy: -133.597 flat angles C4'-P-C4' energy: -144.280 flat angles P-C4'-P energy: -83.047 tors. eta vs tors. theta energy: -169.732 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: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1929.403205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.403205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.403205 (E_RNA) where: Base-Base interactions energy: -1337.952 where: short stacking energy: -512.157 Base-Backbone interact. energy: 1.749 local terms energy: -593.200837 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -132.603 flat angles C4'-P-C4' energy: -128.042 flat angles P-C4'-P energy: -71.217 tors. eta vs tors. theta energy: -137.953 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: 6, replica: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1739.942057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.942057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.942057 (E_RNA) where: Base-Base interactions energy: -1194.679 where: short stacking energy: -484.922 Base-Backbone interact. energy: -2.470 local terms energy: -542.793359 where: bonds (distance) C4'-P energy: -116.903 bonds (distance) P-C4' energy: -105.043 flat angles C4'-P-C4' energy: -104.593 flat angles P-C4'-P energy: -93.868 tors. eta vs tors. theta energy: -122.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1612.830480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.830480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.830480 (E_RNA) where: Base-Base interactions energy: -1083.849 where: short stacking energy: -476.339 Base-Backbone interact. energy: -3.046 local terms energy: -525.936050 where: bonds (distance) C4'-P energy: -95.271 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -122.853 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -117.088 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: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1194.488685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.488685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.488685 (E_RNA) where: Base-Base interactions energy: -752.878 where: short stacking energy: -368.226 Base-Backbone interact. energy: -2.761 local terms energy: -438.850189 where: bonds (distance) C4'-P energy: -102.966 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -113.734 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -66.971 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: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -998.276855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.276855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.276855 (E_RNA) where: Base-Base interactions energy: -569.169 where: short stacking energy: -267.570 Base-Backbone interact. energy: -0.407 local terms energy: -428.701551 where: bonds (distance) C4'-P energy: -101.224 bonds (distance) P-C4' energy: -119.891 flat angles C4'-P-C4' energy: -109.955 flat angles P-C4'-P energy: -69.098 tors. eta vs tors. theta energy: -28.534 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: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -631.387757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.387757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.387757 (E_RNA) where: Base-Base interactions energy: -283.633 where: short stacking energy: -205.419 Base-Backbone interact. energy: 2.077 local terms energy: -349.832531 where: bonds (distance) C4'-P energy: -119.643 bonds (distance) P-C4' energy: -107.615 flat angles C4'-P-C4' energy: -76.560 flat angles P-C4'-P energy: -41.351 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: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2370.209738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.209738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.209738 (E_RNA) where: Base-Base interactions energy: -1621.612 where: short stacking energy: -689.443 Base-Backbone interact. energy: -4.166 local terms energy: -744.431638 where: bonds (distance) C4'-P energy: -132.047 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -157.014 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -205.161 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: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2315.929766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.929766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.929766 (E_RNA) where: Base-Base interactions energy: -1613.635 where: short stacking energy: -656.841 Base-Backbone interact. energy: 0.532 local terms energy: -702.826486 where: bonds (distance) C4'-P energy: -125.326 bonds (distance) P-C4' energy: -122.763 flat angles C4'-P-C4' energy: -146.866 flat angles P-C4'-P energy: -109.114 tors. eta vs tors. theta energy: -198.758 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: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2148.650737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.650737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.650737 (E_RNA) where: Base-Base interactions energy: -1461.457 where: short stacking energy: -612.950 Base-Backbone interact. energy: -3.777 local terms energy: -683.416802 where: bonds (distance) C4'-P energy: -122.377 bonds (distance) P-C4' energy: -135.021 flat angles C4'-P-C4' energy: -151.660 flat angles P-C4'-P energy: -101.763 tors. eta vs tors. theta energy: -172.596 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: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2069.972808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.972808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.972808 (E_RNA) where: Base-Base interactions energy: -1422.491 where: short stacking energy: -583.228 Base-Backbone interact. energy: -4.085 local terms energy: -643.396876 where: bonds (distance) C4'-P energy: -106.868 bonds (distance) P-C4' energy: -123.728 flat angles C4'-P-C4' energy: -141.987 flat angles P-C4'-P energy: -92.327 tors. eta vs tors. theta energy: -178.487 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: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1917.870142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.870142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.870142 (E_RNA) where: Base-Base interactions energy: -1327.075 where: short stacking energy: -495.024 Base-Backbone interact. energy: -0.466 local terms energy: -590.329191 where: bonds (distance) C4'-P energy: -115.035 bonds (distance) P-C4' energy: -128.084 flat angles C4'-P-C4' energy: -128.668 flat angles P-C4'-P energy: -86.140 tors. eta vs tors. theta energy: -132.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1780.642298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.642298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.642298 (E_RNA) where: Base-Base interactions energy: -1199.276 where: short stacking energy: -526.284 Base-Backbone interact. energy: 2.507 local terms energy: -583.872817 where: bonds (distance) C4'-P energy: -102.402 bonds (distance) P-C4' energy: -127.607 flat angles C4'-P-C4' energy: -119.602 flat angles P-C4'-P energy: -87.487 tors. eta vs tors. theta energy: -146.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1562.127624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.127624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.127624 (E_RNA) where: Base-Base interactions energy: -1040.062 where: short stacking energy: -447.845 Base-Backbone interact. energy: -4.456 local terms energy: -517.609641 where: bonds (distance) C4'-P energy: -97.040 bonds (distance) P-C4' energy: -122.952 flat angles C4'-P-C4' energy: -130.221 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -86.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1177.129594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.129594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.129594 (E_RNA) where: Base-Base interactions energy: -679.329 where: short stacking energy: -320.859 Base-Backbone interact. energy: -1.427 local terms energy: -496.373277 where: bonds (distance) C4'-P energy: -118.698 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -117.424 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -73.931 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: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1001.148147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.148147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.148147 (E_RNA) where: Base-Base interactions energy: -575.660 where: short stacking energy: -266.952 Base-Backbone interact. energy: 0.643 local terms energy: -426.131037 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -115.077 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -62.961 tors. eta vs tors. theta energy: -47.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -584.774876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.774876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.774876 (E_RNA) where: Base-Base interactions energy: -226.163 where: short stacking energy: -153.176 Base-Backbone interact. energy: 0.049 local terms energy: -358.660583 where: bonds (distance) C4'-P energy: -112.289 bonds (distance) P-C4' energy: -106.772 flat angles C4'-P-C4' energy: -91.479 flat angles P-C4'-P energy: -57.193 tors. eta vs tors. theta energy: 9.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2424.202279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.202279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.202279 (E_RNA) where: Base-Base interactions energy: -1659.284 where: short stacking energy: -699.926 Base-Backbone interact. energy: -3.190 local terms energy: -761.728871 where: bonds (distance) C4'-P energy: -150.503 bonds (distance) P-C4' energy: -135.843 flat angles C4'-P-C4' energy: -157.664 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -216.580 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: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2339.469041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.469041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.469041 (E_RNA) where: Base-Base interactions energy: -1609.246 where: short stacking energy: -680.608 Base-Backbone interact. energy: -3.055 local terms energy: -727.167753 where: bonds (distance) C4'-P energy: -131.073 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -154.890 flat angles P-C4'-P energy: -108.764 tors. eta vs tors. theta energy: -206.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2129.829308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.829308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.829308 (E_RNA) where: Base-Base interactions energy: -1478.270 where: short stacking energy: -593.290 Base-Backbone interact. energy: -4.925 local terms energy: -646.634000 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -127.978 flat angles C4'-P-C4' energy: -142.050 flat angles P-C4'-P energy: -92.047 tors. eta vs tors. theta energy: -167.788 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: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2082.130151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.130151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.130151 (E_RNA) where: Base-Base interactions energy: -1435.650 where: short stacking energy: -607.141 Base-Backbone interact. energy: -2.464 local terms energy: -644.015965 where: bonds (distance) C4'-P energy: -131.049 bonds (distance) P-C4' energy: -113.587 flat angles C4'-P-C4' energy: -146.847 flat angles P-C4'-P energy: -81.123 tors. eta vs tors. theta energy: -171.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1910.819372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.819372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.819372 (E_RNA) where: Base-Base interactions energy: -1316.778 where: short stacking energy: -537.886 Base-Backbone interact. energy: -3.325 local terms energy: -590.716715 where: bonds (distance) C4'-P energy: -119.525 bonds (distance) P-C4' energy: -122.822 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -93.529 tors. eta vs tors. theta energy: -128.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1732.840396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.840396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.840396 (E_RNA) where: Base-Base interactions energy: -1160.442 where: short stacking energy: -540.454 Base-Backbone interact. energy: -4.351 local terms energy: -568.047380 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -115.418 flat angles P-C4'-P energy: -80.242 tors. eta vs tors. theta energy: -156.717 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: 275 Temperature: 1.200000 Total energy: -1498.349117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.349117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.349117 (E_RNA) where: Base-Base interactions energy: -994.513 where: short stacking energy: -432.609 Base-Backbone interact. energy: -1.994 local terms energy: -501.842902 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -115.220 flat angles C4'-P-C4' energy: -107.304 flat angles P-C4'-P energy: -68.442 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: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1164.125254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.125254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.125254 (E_RNA) where: Base-Base interactions energy: -686.122 where: short stacking energy: -311.154 Base-Backbone interact. energy: 0.556 local terms energy: -478.559174 where: bonds (distance) C4'-P energy: -114.756 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -121.016 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -61.417 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: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1082.053798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.053798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.053798 (E_RNA) where: Base-Base interactions energy: -614.745 where: short stacking energy: -299.154 Base-Backbone interact. energy: -0.927 local terms energy: -466.381897 where: bonds (distance) C4'-P energy: -127.651 bonds (distance) P-C4' energy: -115.905 flat angles C4'-P-C4' energy: -101.912 flat angles P-C4'-P energy: -71.671 tors. eta vs tors. theta energy: -49.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -657.803782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.803782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.803782 (E_RNA) where: Base-Base interactions energy: -283.414 where: short stacking energy: -182.026 Base-Backbone interact. energy: 2.776 local terms energy: -377.165868 where: bonds (distance) C4'-P energy: -120.354 bonds (distance) P-C4' energy: -107.538 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -49.836 tors. eta vs tors. theta energy: -3.856 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: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2361.193759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.193759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.193759 (E_RNA) where: Base-Base interactions energy: -1625.300 where: short stacking energy: -672.756 Base-Backbone interact. energy: -1.525 local terms energy: -734.368426 where: bonds (distance) C4'-P energy: -128.634 bonds (distance) P-C4' energy: -147.232 flat angles C4'-P-C4' energy: -149.109 flat angles P-C4'-P energy: -100.286 tors. eta vs tors. theta energy: -209.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2323.198987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.198987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.198987 (E_RNA) where: Base-Base interactions energy: -1608.547 where: short stacking energy: -688.092 Base-Backbone interact. energy: 1.908 local terms energy: -716.560151 where: bonds (distance) C4'-P energy: -114.288 bonds (distance) P-C4' energy: -122.692 flat angles C4'-P-C4' energy: -166.024 flat angles P-C4'-P energy: -105.471 tors. eta vs tors. theta energy: -208.085 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: 10 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2167.195932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.195932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.195932 (E_RNA) where: Base-Base interactions energy: -1489.358 where: short stacking energy: -610.029 Base-Backbone interact. energy: -2.647 local terms energy: -675.190668 where: bonds (distance) C4'-P energy: -137.875 bonds (distance) P-C4' energy: -120.010 flat angles C4'-P-C4' energy: -144.624 flat angles P-C4'-P energy: -84.768 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: 4, replica: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2067.681901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.681901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.681901 (E_RNA) where: Base-Base interactions energy: -1443.947 where: short stacking energy: -625.314 Base-Backbone interact. energy: -4.492 local terms energy: -619.242578 where: bonds (distance) C4'-P energy: -96.704 bonds (distance) P-C4' energy: -127.786 flat angles C4'-P-C4' energy: -134.005 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -178.079 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: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1952.665369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.665369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.665369 (E_RNA) where: Base-Base interactions energy: -1360.822 where: short stacking energy: -561.498 Base-Backbone interact. energy: -4.185 local terms energy: -587.658177 where: bonds (distance) C4'-P energy: -107.624 bonds (distance) P-C4' energy: -130.552 flat angles C4'-P-C4' energy: -123.697 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -138.730 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: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1816.515355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.515355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.515355 (E_RNA) where: Base-Base interactions energy: -1243.730 where: short stacking energy: -542.048 Base-Backbone interact. energy: 1.367 local terms energy: -574.151899 where: bonds (distance) C4'-P energy: -86.919 bonds (distance) P-C4' energy: -116.043 flat angles C4'-P-C4' energy: -131.961 flat angles P-C4'-P energy: -88.494 tors. eta vs tors. theta energy: -150.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1475.328066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.328066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.328066 (E_RNA) where: Base-Base interactions energy: -1001.507 where: short stacking energy: -451.903 Base-Backbone interact. energy: 3.941 local terms energy: -477.762147 where: bonds (distance) C4'-P energy: -81.673 bonds (distance) P-C4' energy: -107.617 flat angles C4'-P-C4' energy: -133.522 flat angles P-C4'-P energy: -56.217 tors. eta vs tors. theta energy: -98.733 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: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1134.532173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.532173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.532173 (E_RNA) where: Base-Base interactions energy: -657.595 where: short stacking energy: -314.490 Base-Backbone interact. energy: -0.820 local terms energy: -476.117397 where: bonds (distance) C4'-P energy: -125.553 bonds (distance) P-C4' energy: -116.794 flat angles C4'-P-C4' energy: -120.034 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -54.255 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: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1116.176840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.176840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.176840 (E_RNA) where: Base-Base interactions energy: -651.385 where: short stacking energy: -338.334 Base-Backbone interact. energy: -2.707 local terms energy: -462.085236 where: bonds (distance) C4'-P energy: -104.134 bonds (distance) P-C4' energy: -108.211 flat angles C4'-P-C4' energy: -109.277 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -71.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -640.619550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.619550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.619550 (E_RNA) where: Base-Base interactions energy: -314.853 where: short stacking energy: -194.329 Base-Backbone interact. energy: -2.868 local terms energy: -322.898744 where: bonds (distance) C4'-P energy: -93.014 bonds (distance) P-C4' energy: -106.165 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -35.409 tors. eta vs tors. theta energy: 12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2379.058647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.058647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.058647 (E_RNA) where: Base-Base interactions energy: -1654.974 where: short stacking energy: -684.014 Base-Backbone interact. energy: 1.675 local terms energy: -725.760287 where: bonds (distance) C4'-P energy: -140.244 bonds (distance) P-C4' energy: -139.709 flat angles C4'-P-C4' energy: -149.636 flat angles P-C4'-P energy: -97.718 tors. eta vs tors. theta energy: -198.453 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: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2311.466246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.466246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.466246 (E_RNA) where: Base-Base interactions energy: -1587.058 where: short stacking energy: -677.971 Base-Backbone interact. energy: -0.594 local terms energy: -723.814808 where: bonds (distance) C4'-P energy: -127.463 bonds (distance) P-C4' energy: -130.608 flat angles C4'-P-C4' energy: -144.878 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -209.497 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: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2191.014759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.014759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.014759 (E_RNA) where: Base-Base interactions energy: -1498.413 where: short stacking energy: -649.346 Base-Backbone interact. energy: -0.912 local terms energy: -691.689988 where: bonds (distance) C4'-P energy: -116.767 bonds (distance) P-C4' energy: -127.479 flat angles C4'-P-C4' energy: -145.477 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -203.157 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: 4, replica: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2058.557740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.557740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.557740 (E_RNA) where: Base-Base interactions energy: -1418.550 where: short stacking energy: -558.035 Base-Backbone interact. energy: 1.553 local terms energy: -641.560350 where: bonds (distance) C4'-P energy: -129.362 bonds (distance) P-C4' energy: -120.452 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -89.684 tors. eta vs tors. theta energy: -170.326 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: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1966.355236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.355236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.355236 (E_RNA) where: Base-Base interactions energy: -1369.719 where: short stacking energy: -565.957 Base-Backbone interact. energy: -2.145 local terms energy: -594.490394 where: bonds (distance) C4'-P energy: -115.054 bonds (distance) P-C4' energy: -127.694 flat angles C4'-P-C4' energy: -124.309 flat angles P-C4'-P energy: -89.593 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: 6, replica: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1881.517871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.517871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.517871 (E_RNA) where: Base-Base interactions energy: -1292.567 where: short stacking energy: -532.511 Base-Backbone interact. energy: -0.928 local terms energy: -588.023231 where: bonds (distance) C4'-P energy: -106.378 bonds (distance) P-C4' energy: -131.142 flat angles C4'-P-C4' energy: -111.867 flat angles P-C4'-P energy: -84.831 tors. eta vs tors. theta energy: -153.806 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: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1578.106371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.106371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.106371 (E_RNA) where: Base-Base interactions energy: -1034.979 where: short stacking energy: -494.826 Base-Backbone interact. energy: 4.580 local terms energy: -547.707862 where: bonds (distance) C4'-P energy: -106.087 bonds (distance) P-C4' energy: -128.192 flat angles C4'-P-C4' energy: -121.517 flat angles P-C4'-P energy: -66.455 tors. eta vs tors. theta energy: -125.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1162.803701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.803701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.803701 (E_RNA) where: Base-Base interactions energy: -728.984 where: short stacking energy: -343.522 Base-Backbone interact. energy: -1.272 local terms energy: -432.547092 where: bonds (distance) C4'-P energy: -90.743 bonds (distance) P-C4' energy: -103.304 flat angles C4'-P-C4' energy: -116.163 flat angles P-C4'-P energy: -60.496 tors. eta vs tors. theta energy: -61.842 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: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1083.917366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.917366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.917366 (E_RNA) where: Base-Base interactions energy: -638.909 where: short stacking energy: -306.525 Base-Backbone interact. energy: -2.263 local terms energy: -442.745373 where: bonds (distance) C4'-P energy: -87.996 bonds (distance) P-C4' energy: -128.931 flat angles C4'-P-C4' energy: -105.610 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -42.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -625.316306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.316306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.316306 (E_RNA) where: Base-Base interactions energy: -271.344 where: short stacking energy: -156.013 Base-Backbone interact. energy: 2.758 local terms energy: -356.730122 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -113.193 flat angles C4'-P-C4' energy: -96.945 flat angles P-C4'-P energy: -50.346 tors. eta vs tors. theta energy: 20.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2351.314072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.314072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.314072 (E_RNA) where: Base-Base interactions energy: -1613.712 where: short stacking energy: -671.011 Base-Backbone interact. energy: -0.688 local terms energy: -736.914246 where: bonds (distance) C4'-P energy: -147.381 bonds (distance) P-C4' energy: -138.974 flat angles C4'-P-C4' energy: -152.435 flat angles P-C4'-P energy: -82.385 tors. eta vs tors. theta energy: -215.739 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: 278 Temperature: 0.950000 Total energy: -2301.519526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.519526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.519526 (E_RNA) where: Base-Base interactions energy: -1610.519 where: short stacking energy: -648.012 Base-Backbone interact. energy: -1.707 local terms energy: -689.293985 where: bonds (distance) C4'-P energy: -125.023 bonds (distance) P-C4' energy: -136.118 flat angles C4'-P-C4' energy: -133.667 flat angles P-C4'-P energy: -90.443 tors. eta vs tors. theta energy: -204.043 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: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2197.652926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.652926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.652926 (E_RNA) where: Base-Base interactions energy: -1508.185 where: short stacking energy: -611.082 Base-Backbone interact. energy: -3.409 local terms energy: -686.059330 where: bonds (distance) C4'-P energy: -109.128 bonds (distance) P-C4' energy: -129.097 flat angles C4'-P-C4' energy: -146.911 flat angles P-C4'-P energy: -98.499 tors. eta vs tors. theta energy: -202.423 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: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2029.998574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.998574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.998574 (E_RNA) where: Base-Base interactions energy: -1389.509 where: short stacking energy: -565.644 Base-Backbone interact. energy: 3.926 local terms energy: -644.415817 where: bonds (distance) C4'-P energy: -131.185 bonds (distance) P-C4' energy: -119.181 flat angles C4'-P-C4' energy: -146.719 flat angles P-C4'-P energy: -89.087 tors. eta vs tors. theta energy: -158.245 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: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1956.831488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.831488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.831488 (E_RNA) where: Base-Base interactions energy: -1366.575 where: short stacking energy: -549.011 Base-Backbone interact. energy: -2.192 local terms energy: -588.064159 where: bonds (distance) C4'-P energy: -121.937 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -152.886 flat angles P-C4'-P energy: -76.086 tors. eta vs tors. theta energy: -142.904 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: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1858.255250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.255250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.255250 (E_RNA) where: Base-Base interactions energy: -1256.208 where: short stacking energy: -526.974 Base-Backbone interact. energy: -2.457 local terms energy: -599.590511 where: bonds (distance) C4'-P energy: -87.592 bonds (distance) P-C4' energy: -122.639 flat angles C4'-P-C4' energy: -130.953 flat angles P-C4'-P energy: -93.937 tors. eta vs tors. theta energy: -164.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1581.531499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.531499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.531499 (E_RNA) where: Base-Base interactions energy: -1052.993 where: short stacking energy: -466.711 Base-Backbone interact. energy: -1.244 local terms energy: -527.295125 where: bonds (distance) C4'-P energy: -100.391 bonds (distance) P-C4' energy: -110.865 flat angles C4'-P-C4' energy: -129.841 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -106.024 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: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1168.583915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.583915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.583915 (E_RNA) where: Base-Base interactions energy: -693.685 where: short stacking energy: -312.534 Base-Backbone interact. energy: 3.216 local terms energy: -478.115530 where: bonds (distance) C4'-P energy: -128.031 bonds (distance) P-C4' energy: -132.496 flat angles C4'-P-C4' energy: -103.100 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -52.396 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: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1033.332328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.332328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.332328 (E_RNA) where: Base-Base interactions energy: -624.835 where: short stacking energy: -306.471 Base-Backbone interact. energy: 0.368 local terms energy: -408.865008 where: bonds (distance) C4'-P energy: -119.902 bonds (distance) P-C4' energy: -112.182 flat angles C4'-P-C4' energy: -84.924 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -47.574 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: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -610.692079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.692079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.692079 (E_RNA) where: Base-Base interactions energy: -259.693 where: short stacking energy: -174.487 Base-Backbone interact. energy: 2.222 local terms energy: -353.221267 where: bonds (distance) C4'-P energy: -103.787 bonds (distance) P-C4' energy: -106.836 flat angles C4'-P-C4' energy: -76.181 flat angles P-C4'-P energy: -68.959 tors. eta vs tors. theta energy: 2.541 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: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2360.698591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.698591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.698591 (E_RNA) where: Base-Base interactions energy: -1643.231 where: short stacking energy: -677.550 Base-Backbone interact. energy: -0.518 local terms energy: -716.949239 where: bonds (distance) C4'-P energy: -132.282 bonds (distance) P-C4' energy: -128.346 flat angles C4'-P-C4' energy: -158.922 flat angles P-C4'-P energy: -96.252 tors. eta vs tors. theta energy: -201.147 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: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2313.149741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.149741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.149741 (E_RNA) where: Base-Base interactions energy: -1617.900 where: short stacking energy: -671.586 Base-Backbone interact. energy: -2.282 local terms energy: -692.967541 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -136.497 flat angles C4'-P-C4' energy: -150.383 flat angles P-C4'-P energy: -101.920 tors. eta vs tors. theta energy: -195.008 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: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2177.896235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.896235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.896235 (E_RNA) where: Base-Base interactions energy: -1486.406 where: short stacking energy: -617.242 Base-Backbone interact. energy: -1.467 local terms energy: -690.023440 where: bonds (distance) C4'-P energy: -115.282 bonds (distance) P-C4' energy: -128.011 flat angles C4'-P-C4' energy: -150.621 flat angles P-C4'-P energy: -101.107 tors. eta vs tors. theta energy: -195.003 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: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2085.889745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.889745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.889745 (E_RNA) where: Base-Base interactions energy: -1435.144 where: short stacking energy: -584.917 Base-Backbone interact. energy: -0.003 local terms energy: -650.741963 where: bonds (distance) C4'-P energy: -138.793 bonds (distance) P-C4' energy: -126.053 flat angles C4'-P-C4' energy: -132.149 flat angles P-C4'-P energy: -76.873 tors. eta vs tors. theta energy: -176.874 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: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1958.347130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.347130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.347130 (E_RNA) where: Base-Base interactions energy: -1359.216 where: short stacking energy: -557.144 Base-Backbone interact. energy: 1.921 local terms energy: -601.051691 where: bonds (distance) C4'-P energy: -98.492 bonds (distance) P-C4' energy: -127.340 flat angles C4'-P-C4' energy: -132.740 flat angles P-C4'-P energy: -96.858 tors. eta vs tors. theta energy: -145.620 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: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1876.388913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.388913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.388913 (E_RNA) where: Base-Base interactions energy: -1274.762 where: short stacking energy: -523.943 Base-Backbone interact. energy: -3.002 local terms energy: -598.625077 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -127.300 flat angles C4'-P-C4' energy: -131.818 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -154.533 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: 279 Temperature: 1.200000 Total energy: -1546.959317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.959317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.959317 (E_RNA) where: Base-Base interactions energy: -1025.836 where: short stacking energy: -431.207 Base-Backbone interact. energy: 0.347 local terms energy: -521.470067 where: bonds (distance) C4'-P energy: -116.751 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -97.422 flat angles P-C4'-P energy: -69.381 tors. eta vs tors. theta energy: -107.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1144.730175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.730175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.730175 (E_RNA) where: Base-Base interactions energy: -690.201 where: short stacking energy: -321.573 Base-Backbone interact. energy: -2.754 local terms energy: -451.775834 where: bonds (distance) C4'-P energy: -111.767 bonds (distance) P-C4' energy: -116.843 flat angles C4'-P-C4' energy: -122.681 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -46.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1022.314285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.314285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.314285 (E_RNA) where: Base-Base interactions energy: -596.381 where: short stacking energy: -282.790 Base-Backbone interact. energy: -0.455 local terms energy: -425.477860 where: bonds (distance) C4'-P energy: -98.682 bonds (distance) P-C4' energy: -106.661 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -42.838 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: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -570.349305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.349305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.349305 (E_RNA) where: Base-Base interactions energy: -243.511 where: short stacking energy: -167.777 Base-Backbone interact. energy: 2.377 local terms energy: -329.215414 where: bonds (distance) C4'-P energy: -105.798 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -87.776 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: 21.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2362.634705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.634705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.634705 (E_RNA) where: Base-Base interactions energy: -1601.784 where: short stacking energy: -706.958 Base-Backbone interact. energy: -2.796 local terms energy: -758.055035 where: bonds (distance) C4'-P energy: -133.894 bonds (distance) P-C4' energy: -143.527 flat angles C4'-P-C4' energy: -164.985 flat angles P-C4'-P energy: -95.842 tors. eta vs tors. theta energy: -219.806 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: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2313.750743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.750743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.750743 (E_RNA) where: Base-Base interactions energy: -1610.620 where: short stacking energy: -648.692 Base-Backbone interact. energy: -3.856 local terms energy: -699.274197 where: bonds (distance) C4'-P energy: -147.099 bonds (distance) P-C4' energy: -129.393 flat angles C4'-P-C4' energy: -145.749 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -183.598 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: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2145.841347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.841347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.841347 (E_RNA) where: Base-Base interactions energy: -1485.046 where: short stacking energy: -618.696 Base-Backbone interact. energy: 5.172 local terms energy: -665.967111 where: bonds (distance) C4'-P energy: -122.801 bonds (distance) P-C4' energy: -132.719 flat angles C4'-P-C4' energy: -145.758 flat angles P-C4'-P energy: -79.703 tors. eta vs tors. theta energy: -184.986 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: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2083.083757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.083757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.083757 (E_RNA) where: Base-Base interactions energy: -1449.253 where: short stacking energy: -596.941 Base-Backbone interact. energy: -3.705 local terms energy: -630.125723 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -116.168 flat angles C4'-P-C4' energy: -148.310 flat angles P-C4'-P energy: -76.889 tors. eta vs tors. theta energy: -184.106 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: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1944.659177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.659177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.659177 (E_RNA) where: Base-Base interactions energy: -1310.127 where: short stacking energy: -541.518 Base-Backbone interact. energy: -2.253 local terms energy: -632.279127 where: bonds (distance) C4'-P energy: -118.167 bonds (distance) P-C4' energy: -123.008 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -94.721 tors. eta vs tors. theta energy: -148.431 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: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1943.873687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.873687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.873687 (E_RNA) where: Base-Base interactions energy: -1317.452 where: short stacking energy: -567.755 Base-Backbone interact. energy: 0.359 local terms energy: -626.780486 where: bonds (distance) C4'-P energy: -111.033 bonds (distance) P-C4' energy: -122.068 flat angles C4'-P-C4' energy: -136.821 flat angles P-C4'-P energy: -87.066 tors. eta vs tors. theta energy: -169.793 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1576.166804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.166804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.166804 (E_RNA) where: Base-Base interactions energy: -1003.837 where: short stacking energy: -450.811 Base-Backbone interact. energy: -0.603 local terms energy: -571.727005 where: bonds (distance) C4'-P energy: -120.715 bonds (distance) P-C4' energy: -115.919 flat angles C4'-P-C4' energy: -133.867 flat angles P-C4'-P energy: -70.891 tors. eta vs tors. theta energy: -130.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1139.271440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.271440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.271440 (E_RNA) where: Base-Base interactions energy: -660.527 where: short stacking energy: -330.028 Base-Backbone interact. energy: 0.599 local terms energy: -479.342891 where: bonds (distance) C4'-P energy: -107.460 bonds (distance) P-C4' energy: -111.142 flat angles C4'-P-C4' energy: -112.011 flat angles P-C4'-P energy: -85.292 tors. eta vs tors. theta energy: -63.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -980.729579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.729579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.729579 (E_RNA) where: Base-Base interactions energy: -558.034 where: short stacking energy: -257.559 Base-Backbone interact. energy: 0.679 local terms energy: -423.374831 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -123.021 flat angles C4'-P-C4' energy: -107.002 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: -18.176 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: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -504.039572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.039572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.039572 (E_RNA) where: Base-Base interactions energy: -156.871 where: short stacking energy: -137.097 Base-Backbone interact. energy: -4.041 local terms energy: -343.127682 where: bonds (distance) C4'-P energy: -115.021 bonds (distance) P-C4' energy: -110.845 flat angles C4'-P-C4' energy: -96.260 flat angles P-C4'-P energy: -48.485 tors. eta vs tors. theta energy: 27.483 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: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2357.908426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.908426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.908426 (E_RNA) where: Base-Base interactions energy: -1606.735 where: short stacking energy: -681.240 Base-Backbone interact. energy: -1.405 local terms energy: -749.768229 where: bonds (distance) C4'-P energy: -128.598 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -165.744 flat angles P-C4'-P energy: -105.936 tors. eta vs tors. theta energy: -208.875 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2280.829831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.829831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.829831 (E_RNA) where: Base-Base interactions energy: -1571.006 where: short stacking energy: -656.662 Base-Backbone interact. energy: -2.573 local terms energy: -707.250776 where: bonds (distance) C4'-P energy: -139.550 bonds (distance) P-C4' energy: -128.669 flat angles C4'-P-C4' energy: -146.247 flat angles P-C4'-P energy: -98.383 tors. eta vs tors. theta energy: -194.403 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: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2157.670591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.670591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.670591 (E_RNA) where: Base-Base interactions energy: -1484.179 where: short stacking energy: -611.349 Base-Backbone interact. energy: -3.017 local terms energy: -670.474372 where: bonds (distance) C4'-P energy: -117.268 bonds (distance) P-C4' energy: -127.077 flat angles C4'-P-C4' energy: -149.392 flat angles P-C4'-P energy: -90.009 tors. eta vs tors. theta energy: -186.727 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: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2106.371097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.371097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.371097 (E_RNA) where: Base-Base interactions energy: -1467.017 where: short stacking energy: -596.344 Base-Backbone interact. energy: -5.120 local terms energy: -634.233974 where: bonds (distance) C4'-P energy: -118.144 bonds (distance) P-C4' energy: -113.338 flat angles C4'-P-C4' energy: -135.537 flat angles P-C4'-P energy: -84.881 tors. eta vs tors. theta energy: -182.333 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: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1935.481884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.481884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.481884 (E_RNA) where: Base-Base interactions energy: -1321.084 where: short stacking energy: -571.363 Base-Backbone interact. energy: -1.761 local terms energy: -612.636950 where: bonds (distance) C4'-P energy: -112.830 bonds (distance) P-C4' energy: -117.362 flat angles C4'-P-C4' energy: -137.555 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -155.109 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: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1991.004878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.004878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.004878 (E_RNA) where: Base-Base interactions energy: -1382.850 where: short stacking energy: -587.687 Base-Backbone interact. energy: 0.716 local terms energy: -608.871006 where: bonds (distance) C4'-P energy: -98.780 bonds (distance) P-C4' energy: -121.181 flat angles C4'-P-C4' energy: -136.030 flat angles P-C4'-P energy: -80.380 tors. eta vs tors. theta energy: -172.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1526.623892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.623892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.623892 (E_RNA) where: Base-Base interactions energy: -1012.103 where: short stacking energy: -424.627 Base-Backbone interact. energy: -1.023 local terms energy: -513.497988 where: bonds (distance) C4'-P energy: -118.206 bonds (distance) P-C4' energy: -107.344 flat angles C4'-P-C4' energy: -102.388 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -104.580 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: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1161.387796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.387796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.387796 (E_RNA) where: Base-Base interactions energy: -685.223 where: short stacking energy: -332.201 Base-Backbone interact. energy: 1.117 local terms energy: -477.282018 where: bonds (distance) C4'-P energy: -91.281 bonds (distance) P-C4' energy: -132.535 flat angles C4'-P-C4' energy: -116.054 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -59.082 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: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1019.564224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.564224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.564224 (E_RNA) where: Base-Base interactions energy: -587.553 where: short stacking energy: -272.205 Base-Backbone interact. energy: -2.153 local terms energy: -429.857797 where: bonds (distance) C4'-P energy: -96.969 bonds (distance) P-C4' energy: -110.303 flat angles C4'-P-C4' energy: -108.784 flat angles P-C4'-P energy: -73.357 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: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -521.762880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.762880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.762880 (E_RNA) where: Base-Base interactions energy: -181.716 where: short stacking energy: -141.061 Base-Backbone interact. energy: 8.133 local terms energy: -348.179386 where: bonds (distance) C4'-P energy: -102.857 bonds (distance) P-C4' energy: -115.520 flat angles C4'-P-C4' energy: -92.156 flat angles P-C4'-P energy: -65.706 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: 1, replica: 7 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2377.449865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.449865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.449865 (E_RNA) where: Base-Base interactions energy: -1647.295 where: short stacking energy: -689.494 Base-Backbone interact. energy: -3.788 local terms energy: -726.366873 where: bonds (distance) C4'-P energy: -125.266 bonds (distance) P-C4' energy: -133.216 flat angles C4'-P-C4' energy: -156.646 flat angles P-C4'-P energy: -101.289 tors. eta vs tors. theta energy: -209.950 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2316.958644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.958644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.958644 (E_RNA) where: Base-Base interactions energy: -1610.035 where: short stacking energy: -659.873 Base-Backbone interact. energy: -2.918 local terms energy: -704.006020 where: bonds (distance) C4'-P energy: -129.579 bonds (distance) P-C4' energy: -125.904 flat angles C4'-P-C4' energy: -156.381 flat angles P-C4'-P energy: -95.516 tors. eta vs tors. theta energy: -196.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2119.523575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.523575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.523575 (E_RNA) where: Base-Base interactions energy: -1444.461 where: short stacking energy: -597.836 Base-Backbone interact. energy: 0.992 local terms energy: -676.053967 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -136.534 flat angles C4'-P-C4' energy: -146.598 flat angles P-C4'-P energy: -100.227 tors. eta vs tors. theta energy: -173.040 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2105.677957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.677957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.677957 (E_RNA) where: Base-Base interactions energy: -1457.733 where: short stacking energy: -612.679 Base-Backbone interact. energy: -3.115 local terms energy: -644.829811 where: bonds (distance) C4'-P energy: -106.195 bonds (distance) P-C4' energy: -122.459 flat angles C4'-P-C4' energy: -156.269 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -180.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2047.481098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.481098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.481098 (E_RNA) where: Base-Base interactions energy: -1391.741 where: short stacking energy: -600.125 Base-Backbone interact. energy: 0.221 local terms energy: -655.960912 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -129.270 flat angles C4'-P-C4' energy: -136.870 flat angles P-C4'-P energy: -84.559 tors. eta vs tors. theta energy: -182.187 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: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1886.624934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.624934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.624934 (E_RNA) where: Base-Base interactions energy: -1283.045 where: short stacking energy: -543.310 Base-Backbone interact. energy: 2.288 local terms energy: -605.867653 where: bonds (distance) C4'-P energy: -117.124 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -137.938 flat angles P-C4'-P energy: -71.934 tors. eta vs tors. theta energy: -152.174 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: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1487.737747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.737747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.737747 (E_RNA) where: Base-Base interactions energy: -968.817 where: short stacking energy: -428.747 Base-Backbone interact. energy: -2.402 local terms energy: -516.517819 where: bonds (distance) C4'-P energy: -112.697 bonds (distance) P-C4' energy: -112.761 flat angles C4'-P-C4' energy: -121.693 flat angles P-C4'-P energy: -72.579 tors. eta vs tors. theta energy: -96.787 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1180.969988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.969988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.969988 (E_RNA) where: Base-Base interactions energy: -710.098 where: short stacking energy: -350.021 Base-Backbone interact. energy: -1.116 local terms energy: -469.756303 where: bonds (distance) C4'-P energy: -98.077 bonds (distance) P-C4' energy: -113.992 flat angles C4'-P-C4' energy: -112.006 flat angles P-C4'-P energy: -85.685 tors. eta vs tors. theta energy: -59.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1044.352482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.352482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.352482 (E_RNA) where: Base-Base interactions energy: -613.951 where: short stacking energy: -303.117 Base-Backbone interact. energy: -0.078 local terms energy: -430.322777 where: bonds (distance) C4'-P energy: -89.825 bonds (distance) P-C4' energy: -112.185 flat angles C4'-P-C4' energy: -111.492 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -43.261 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: 10, replica: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -535.895746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.895746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.895746 (E_RNA) where: Base-Base interactions energy: -157.037 where: short stacking energy: -143.222 Base-Backbone interact. energy: -1.273 local terms energy: -377.585877 where: bonds (distance) C4'-P energy: -109.921 bonds (distance) P-C4' energy: -125.732 flat angles C4'-P-C4' energy: -97.216 flat angles P-C4'-P energy: -69.902 tors. eta vs tors. theta energy: 25.184 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: 1, replica: 7 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2346.595421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.595421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.595421 (E_RNA) where: Base-Base interactions energy: -1609.878 where: short stacking energy: -675.524 Base-Backbone interact. energy: -1.386 local terms energy: -735.331024 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -142.145 flat angles C4'-P-C4' energy: -167.265 flat angles P-C4'-P energy: -98.101 tors. eta vs tors. theta energy: -201.748 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: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2313.690863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.690863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.690863 (E_RNA) where: Base-Base interactions energy: -1602.880 where: short stacking energy: -670.667 Base-Backbone interact. energy: -1.118 local terms energy: -709.693176 where: bonds (distance) C4'-P energy: -117.636 bonds (distance) P-C4' energy: -146.228 flat angles C4'-P-C4' energy: -146.284 flat angles P-C4'-P energy: -97.907 tors. eta vs tors. theta energy: -201.638 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: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2139.091490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.091490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.091490 (E_RNA) where: Base-Base interactions energy: -1475.732 where: short stacking energy: -614.021 Base-Backbone interact. energy: -3.510 local terms energy: -659.849455 where: bonds (distance) C4'-P energy: -112.939 bonds (distance) P-C4' energy: -133.854 flat angles C4'-P-C4' energy: -139.875 flat angles P-C4'-P energy: -81.967 tors. eta vs tors. theta energy: -191.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2084.062910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.062910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.062910 (E_RNA) where: Base-Base interactions energy: -1461.751 where: short stacking energy: -599.929 Base-Backbone interact. energy: -2.188 local terms energy: -620.123499 where: bonds (distance) C4'-P energy: -116.408 bonds (distance) P-C4' energy: -110.248 flat angles C4'-P-C4' energy: -143.810 flat angles P-C4'-P energy: -82.773 tors. eta vs tors. theta energy: -166.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2059.414881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.414881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.414881 (E_RNA) where: Base-Base interactions energy: -1416.904 where: short stacking energy: -624.450 Base-Backbone interact. energy: -2.231 local terms energy: -640.279926 where: bonds (distance) C4'-P energy: -106.660 bonds (distance) P-C4' energy: -114.530 flat angles C4'-P-C4' energy: -136.787 flat angles P-C4'-P energy: -88.784 tors. eta vs tors. theta energy: -193.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1864.607960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.607960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.607960 (E_RNA) where: Base-Base interactions energy: -1281.926 where: short stacking energy: -540.036 Base-Backbone interact. energy: -1.464 local terms energy: -581.217956 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -120.238 flat angles C4'-P-C4' energy: -135.926 flat angles P-C4'-P energy: -74.894 tors. eta vs tors. theta energy: -132.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1525.377802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.377802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.377802 (E_RNA) where: Base-Base interactions energy: -995.422 where: short stacking energy: -432.924 Base-Backbone interact. energy: -2.660 local terms energy: -527.296011 where: bonds (distance) C4'-P energy: -133.937 bonds (distance) P-C4' energy: -124.217 flat angles C4'-P-C4' energy: -116.706 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -86.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1148.453516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.453516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.453516 (E_RNA) where: Base-Base interactions energy: -700.314 where: short stacking energy: -312.183 Base-Backbone interact. energy: -2.421 local terms energy: -445.719020 where: bonds (distance) C4'-P energy: -121.853 bonds (distance) P-C4' energy: -109.092 flat angles C4'-P-C4' energy: -110.857 flat angles P-C4'-P energy: -55.902 tors. eta vs tors. theta energy: -48.015 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: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1040.272835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.272835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.272835 (E_RNA) where: Base-Base interactions energy: -608.849 where: short stacking energy: -305.397 Base-Backbone interact. energy: -1.380 local terms energy: -430.043554 where: bonds (distance) C4'-P energy: -102.620 bonds (distance) P-C4' energy: -94.150 flat angles C4'-P-C4' energy: -117.082 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -48.692 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: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -598.845996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.845996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.845996 (E_RNA) where: Base-Base interactions energy: -259.159 where: short stacking energy: -181.249 Base-Backbone interact. energy: -2.576 local terms energy: -337.110471 where: bonds (distance) C4'-P energy: -113.169 bonds (distance) P-C4' energy: -88.468 flat angles C4'-P-C4' energy: -91.945 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: 9.059 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: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2379.688200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.688200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.688200 (E_RNA) where: Base-Base interactions energy: -1672.147 where: short stacking energy: -691.614 Base-Backbone interact. energy: 0.032 local terms energy: -707.573989 where: bonds (distance) C4'-P energy: -135.738 bonds (distance) P-C4' energy: -136.839 flat angles C4'-P-C4' energy: -142.735 flat angles P-C4'-P energy: -98.868 tors. eta vs tors. theta energy: -193.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2285.007412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.007412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.007412 (E_RNA) where: Base-Base interactions energy: -1580.689 where: short stacking energy: -682.124 Base-Backbone interact. energy: -1.559 local terms energy: -702.759240 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -125.677 flat angles C4'-P-C4' energy: -148.685 flat angles P-C4'-P energy: -104.370 tors. eta vs tors. theta energy: -205.663 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: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2204.635132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.635132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.635132 (E_RNA) where: Base-Base interactions energy: -1552.213 where: short stacking energy: -630.688 Base-Backbone interact. energy: 5.685 local terms energy: -658.107241 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -114.340 flat angles C4'-P-C4' energy: -138.905 flat angles P-C4'-P energy: -81.978 tors. eta vs tors. theta energy: -187.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2054.124618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.124618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.124618 (E_RNA) where: Base-Base interactions energy: -1404.583 where: short stacking energy: -577.734 Base-Backbone interact. energy: -1.800 local terms energy: -647.741450 where: bonds (distance) C4'-P energy: -115.716 bonds (distance) P-C4' energy: -117.229 flat angles C4'-P-C4' energy: -142.333 flat angles P-C4'-P energy: -95.888 tors. eta vs tors. theta energy: -176.574 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: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2017.761375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.761375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.761375 (E_RNA) where: Base-Base interactions energy: -1401.225 where: short stacking energy: -606.729 Base-Backbone interact. energy: -0.926 local terms energy: -615.610272 where: bonds (distance) C4'-P energy: -92.327 bonds (distance) P-C4' energy: -115.725 flat angles C4'-P-C4' energy: -128.453 flat angles P-C4'-P energy: -84.568 tors. eta vs tors. theta energy: -194.538 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: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1856.972168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.972168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.972168 (E_RNA) where: Base-Base interactions energy: -1276.187 where: short stacking energy: -523.316 Base-Backbone interact. energy: -2.717 local terms energy: -578.068254 where: bonds (distance) C4'-P energy: -114.353 bonds (distance) P-C4' energy: -118.365 flat angles C4'-P-C4' energy: -128.093 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -131.302 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: 7, replica: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1586.575058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.575058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.575058 (E_RNA) where: Base-Base interactions energy: -1067.057 where: short stacking energy: -458.723 Base-Backbone interact. energy: 0.686 local terms energy: -520.203506 where: bonds (distance) C4'-P energy: -101.228 bonds (distance) P-C4' energy: -109.468 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -116.420 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: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1114.214981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.214981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.214981 (E_RNA) where: Base-Base interactions energy: -671.539 where: short stacking energy: -339.224 Base-Backbone interact. energy: -0.812 local terms energy: -441.863637 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -100.444 flat angles P-C4'-P energy: -72.978 tors. eta vs tors. theta energy: -61.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1050.862589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.862589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.862589 (E_RNA) where: Base-Base interactions energy: -608.305 where: short stacking energy: -285.976 Base-Backbone interact. energy: 2.076 local terms energy: -444.633853 where: bonds (distance) C4'-P energy: -116.091 bonds (distance) P-C4' energy: -113.891 flat angles C4'-P-C4' energy: -102.984 flat angles P-C4'-P energy: -63.141 tors. eta vs tors. theta energy: -48.526 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: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -623.698038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.698038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.698038 (E_RNA) where: Base-Base interactions energy: -278.617 where: short stacking energy: -193.446 Base-Backbone interact. energy: 4.868 local terms energy: -349.948295 where: bonds (distance) C4'-P energy: -105.713 bonds (distance) P-C4' energy: -111.232 flat angles C4'-P-C4' energy: -87.342 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: 15.363 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: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2372.668838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.668838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.668838 (E_RNA) where: Base-Base interactions energy: -1626.967 where: short stacking energy: -694.288 Base-Backbone interact. energy: 0.042 local terms energy: -745.743548 where: bonds (distance) C4'-P energy: -133.544 bonds (distance) P-C4' energy: -138.612 flat angles C4'-P-C4' energy: -170.412 flat angles P-C4'-P energy: -97.717 tors. eta vs tors. theta energy: -205.459 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: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2292.564384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.564384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.564384 (E_RNA) where: Base-Base interactions energy: -1594.909 where: short stacking energy: -673.262 Base-Backbone interact. energy: -2.478 local terms energy: -695.177496 where: bonds (distance) C4'-P energy: -118.433 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -163.242 flat angles P-C4'-P energy: -86.972 tors. eta vs tors. theta energy: -200.058 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: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2216.540629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.540629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.540629 (E_RNA) where: Base-Base interactions energy: -1532.349 where: short stacking energy: -643.448 Base-Backbone interact. energy: -1.784 local terms energy: -682.408226 where: bonds (distance) C4'-P energy: -122.104 bonds (distance) P-C4' energy: -132.247 flat angles C4'-P-C4' energy: -142.259 flat angles P-C4'-P energy: -96.045 tors. eta vs tors. theta energy: -189.753 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: 4, replica: 2 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2104.856486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.856486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.856486 (E_RNA) where: Base-Base interactions energy: -1413.459 where: short stacking energy: -601.333 Base-Backbone interact. energy: -1.040 local terms energy: -690.357434 where: bonds (distance) C4'-P energy: -128.914 bonds (distance) P-C4' energy: -129.410 flat angles C4'-P-C4' energy: -144.719 flat angles P-C4'-P energy: -93.866 tors. eta vs tors. theta energy: -193.448 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: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2032.005244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.005244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.005244 (E_RNA) where: Base-Base interactions energy: -1415.418 where: short stacking energy: -593.593 Base-Backbone interact. energy: 2.083 local terms energy: -618.669514 where: bonds (distance) C4'-P energy: -121.565 bonds (distance) P-C4' energy: -88.918 flat angles C4'-P-C4' energy: -142.656 flat angles P-C4'-P energy: -88.396 tors. eta vs tors. theta energy: -177.133 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1841.966542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.966542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.966542 (E_RNA) where: Base-Base interactions energy: -1292.406 where: short stacking energy: -509.369 Base-Backbone interact. energy: 4.471 local terms energy: -554.031618 where: bonds (distance) C4'-P energy: -119.218 bonds (distance) P-C4' energy: -121.939 flat angles C4'-P-C4' energy: -116.081 flat angles P-C4'-P energy: -76.212 tors. eta vs tors. theta energy: -120.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1611.169846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.169846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.169846 (E_RNA) where: Base-Base interactions energy: -1092.532 where: short stacking energy: -455.488 Base-Backbone interact. energy: 1.633 local terms energy: -520.271134 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -92.667 flat angles C4'-P-C4' energy: -122.072 flat angles P-C4'-P energy: -81.149 tors. eta vs tors. theta energy: -116.939 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: 8, replica: 9 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1158.692845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.692845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.692845 (E_RNA) where: Base-Base interactions energy: -694.925 where: short stacking energy: -342.183 Base-Backbone interact. energy: 0.020 local terms energy: -463.788147 where: bonds (distance) C4'-P energy: -107.590 bonds (distance) P-C4' energy: -123.732 flat angles C4'-P-C4' energy: -104.934 flat angles P-C4'-P energy: -59.621 tors. eta vs tors. theta energy: -67.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1123.647518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.647518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.647518 (E_RNA) where: Base-Base interactions energy: -687.950 where: short stacking energy: -317.839 Base-Backbone interact. energy: 2.238 local terms energy: -437.936092 where: bonds (distance) C4'-P energy: -101.955 bonds (distance) P-C4' energy: -98.768 flat angles C4'-P-C4' energy: -112.342 flat angles P-C4'-P energy: -82.855 tors. eta vs tors. theta energy: -42.016 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: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -606.926723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.926723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.926723 (E_RNA) where: Base-Base interactions energy: -241.708 where: short stacking energy: -156.776 Base-Backbone interact. energy: -0.523 local terms energy: -364.695645 where: bonds (distance) C4'-P energy: -105.319 bonds (distance) P-C4' energy: -134.474 flat angles C4'-P-C4' energy: -95.167 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: 20.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2374.942666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.942666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.942666 (E_RNA) where: Base-Base interactions energy: -1654.509 where: short stacking energy: -707.997 Base-Backbone interact. energy: -3.452 local terms energy: -716.981502 where: bonds (distance) C4'-P energy: -125.821 bonds (distance) P-C4' energy: -137.655 flat angles C4'-P-C4' energy: -146.315 flat angles P-C4'-P energy: -98.762 tors. eta vs tors. theta energy: -208.428 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: 286 Temperature: 0.950000 Total energy: -2281.990648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.990648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.990648 (E_RNA) where: Base-Base interactions energy: -1569.498 where: short stacking energy: -665.834 Base-Backbone interact. energy: -1.296 local terms energy: -711.196888 where: bonds (distance) C4'-P energy: -131.697 bonds (distance) P-C4' energy: -133.419 flat angles C4'-P-C4' energy: -152.122 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: -208.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2211.348617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.348617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.348617 (E_RNA) where: Base-Base interactions energy: -1525.314 where: short stacking energy: -637.366 Base-Backbone interact. energy: -1.578 local terms energy: -684.456216 where: bonds (distance) C4'-P energy: -127.128 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -135.473 flat angles P-C4'-P energy: -86.561 tors. eta vs tors. theta energy: -198.832 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: 2 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2131.834132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.834132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.834132 (E_RNA) where: Base-Base interactions energy: -1470.058 where: short stacking energy: -651.155 Base-Backbone interact. energy: 2.166 local terms energy: -663.941549 where: bonds (distance) C4'-P energy: -111.645 bonds (distance) P-C4' energy: -115.029 flat angles C4'-P-C4' energy: -144.749 flat angles P-C4'-P energy: -100.439 tors. eta vs tors. theta energy: -192.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2049.100527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.100527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.100527 (E_RNA) where: Base-Base interactions energy: -1394.878 where: short stacking energy: -612.479 Base-Backbone interact. energy: -4.153 local terms energy: -650.069370 where: bonds (distance) C4'-P energy: -119.280 bonds (distance) P-C4' energy: -120.507 flat angles C4'-P-C4' energy: -130.384 flat angles P-C4'-P energy: -92.773 tors. eta vs tors. theta energy: -187.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1877.274577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.274577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.274577 (E_RNA) where: Base-Base interactions energy: -1302.056 where: short stacking energy: -511.033 Base-Backbone interact. energy: 2.247 local terms energy: -577.466083 where: bonds (distance) C4'-P energy: -120.535 bonds (distance) P-C4' energy: -100.077 flat angles C4'-P-C4' energy: -144.450 flat angles P-C4'-P energy: -76.939 tors. eta vs tors. theta energy: -135.465 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: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1593.004613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.004613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.004613 (E_RNA) where: Base-Base interactions energy: -1074.005 where: short stacking energy: -451.117 Base-Backbone interact. energy: 0.795 local terms energy: -519.795169 where: bonds (distance) C4'-P energy: -108.245 bonds (distance) P-C4' energy: -109.804 flat angles C4'-P-C4' energy: -110.737 flat angles P-C4'-P energy: -72.388 tors. eta vs tors. theta energy: -118.623 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: 8, replica: 9 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1144.641851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.641851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.641851 (E_RNA) where: Base-Base interactions energy: -661.499 where: short stacking energy: -323.656 Base-Backbone interact. energy: 0.116 local terms energy: -483.258050 where: bonds (distance) C4'-P energy: -110.126 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -115.047 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -55.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1118.620791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.620791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.620791 (E_RNA) where: Base-Base interactions energy: -666.332 where: short stacking energy: -334.710 Base-Backbone interact. energy: -1.393 local terms energy: -450.895443 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -116.999 flat angles C4'-P-C4' energy: -107.961 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -53.484 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: 10, replica: 4 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -704.390152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.390152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.390152 (E_RNA) where: Base-Base interactions energy: -337.365 where: short stacking energy: -191.703 Base-Backbone interact. energy: -0.769 local terms energy: -366.256901 where: bonds (distance) C4'-P energy: -110.000 bonds (distance) P-C4' energy: -105.045 flat angles C4'-P-C4' energy: -95.456 flat angles P-C4'-P energy: -57.972 tors. eta vs tors. theta energy: 2.217 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: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2391.343908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.343908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.343908 (E_RNA) where: Base-Base interactions energy: -1664.170 where: short stacking energy: -696.569 Base-Backbone interact. energy: 0.113 local terms energy: -727.287144 where: bonds (distance) C4'-P energy: -145.100 bonds (distance) P-C4' energy: -133.760 flat angles C4'-P-C4' energy: -148.433 flat angles P-C4'-P energy: -97.219 tors. eta vs tors. theta energy: -202.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2251.660419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.660419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.660419 (E_RNA) where: Base-Base interactions energy: -1527.603 where: short stacking energy: -648.497 Base-Backbone interact. energy: -4.405 local terms energy: -719.653076 where: bonds (distance) C4'-P energy: -136.060 bonds (distance) P-C4' energy: -143.013 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -190.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2236.317566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.317566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.317566 (E_RNA) where: Base-Base interactions energy: -1552.482 where: short stacking energy: -646.394 Base-Backbone interact. energy: -0.487 local terms energy: -683.348592 where: bonds (distance) C4'-P energy: -126.430 bonds (distance) P-C4' energy: -128.322 flat angles C4'-P-C4' energy: -138.627 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -195.656 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2157.737970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.737970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.737970 (E_RNA) where: Base-Base interactions energy: -1486.330 where: short stacking energy: -628.532 Base-Backbone interact. energy: -2.942 local terms energy: -668.465745 where: bonds (distance) C4'-P energy: -113.882 bonds (distance) P-C4' energy: -130.831 flat angles C4'-P-C4' energy: -143.080 flat angles P-C4'-P energy: -93.628 tors. eta vs tors. theta energy: -187.045 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: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2006.006570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.006570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.006570 (E_RNA) where: Base-Base interactions energy: -1387.316 where: short stacking energy: -560.063 Base-Backbone interact. energy: 1.150 local terms energy: -619.841230 where: bonds (distance) C4'-P energy: -110.683 bonds (distance) P-C4' energy: -116.186 flat angles C4'-P-C4' energy: -149.720 flat angles P-C4'-P energy: -82.071 tors. eta vs tors. theta energy: -161.182 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: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1806.522002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.522002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.522002 (E_RNA) where: Base-Base interactions energy: -1226.185 where: short stacking energy: -499.962 Base-Backbone interact. energy: -2.733 local terms energy: -577.603505 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -119.269 flat angles C4'-P-C4' energy: -126.547 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -136.152 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: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1623.201163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.201163 (E_RNA) where: Base-Base interactions energy: -1067.492 where: short stacking energy: -447.831 Base-Backbone interact. energy: -1.261 local terms energy: -554.448242 where: bonds (distance) C4'-P energy: -116.956 bonds (distance) P-C4' energy: -120.580 flat angles C4'-P-C4' energy: -117.350 flat angles P-C4'-P energy: -83.824 tors. eta vs tors. theta energy: -115.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1148.414723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.414723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.414723 (E_RNA) where: Base-Base interactions energy: -711.941 where: short stacking energy: -360.555 Base-Backbone interact. energy: 1.396 local terms energy: -437.869016 where: bonds (distance) C4'-P energy: -105.313 bonds (distance) P-C4' energy: -103.236 flat angles C4'-P-C4' energy: -101.320 flat angles P-C4'-P energy: -64.961 tors. eta vs tors. theta energy: -63.039 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: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1001.046885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.046885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.046885 (E_RNA) where: Base-Base interactions energy: -607.284 where: short stacking energy: -264.474 Base-Backbone interact. energy: 8.723 local terms energy: -402.486258 where: bonds (distance) C4'-P energy: -98.223 bonds (distance) P-C4' energy: -109.684 flat angles C4'-P-C4' energy: -90.506 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -37.312 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: 10, replica: 4 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -680.142874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.142874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.142874 (E_RNA) where: Base-Base interactions energy: -310.775 where: short stacking energy: -200.849 Base-Backbone interact. energy: 3.118 local terms energy: -372.485612 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -113.028 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -55.595 tors. eta vs tors. theta energy: 1.587 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: 288 Temperature: 0.900000 Total energy: -2397.986680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.986680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.986680 (E_RNA) where: Base-Base interactions energy: -1636.411 where: short stacking energy: -687.625 Base-Backbone interact. energy: -1.545 local terms energy: -760.030777 where: bonds (distance) C4'-P energy: -141.295 bonds (distance) P-C4' energy: -138.478 flat angles C4'-P-C4' energy: -157.041 flat angles P-C4'-P energy: -111.510 tors. eta vs tors. theta energy: -211.708 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: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2262.506252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.506252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.506252 (E_RNA) where: Base-Base interactions energy: -1544.821 where: short stacking energy: -674.841 Base-Backbone interact. energy: -3.773 local terms energy: -713.912594 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -156.513 flat angles P-C4'-P energy: -89.631 tors. eta vs tors. theta energy: -208.174 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: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2227.113314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.113314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.113314 (E_RNA) where: Base-Base interactions energy: -1518.543 where: short stacking energy: -656.524 Base-Backbone interact. energy: -3.090 local terms energy: -705.480894 where: bonds (distance) C4'-P energy: -135.423 bonds (distance) P-C4' energy: -123.763 flat angles C4'-P-C4' energy: -148.298 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -205.827 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: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2170.173458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.173458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.173458 (E_RNA) where: Base-Base interactions energy: -1507.933 where: short stacking energy: -595.813 Base-Backbone interact. energy: -6.306 local terms energy: -655.934359 where: bonds (distance) C4'-P energy: -129.526 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -120.043 flat angles P-C4'-P energy: -81.027 tors. eta vs tors. theta energy: -188.211 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: 5, replica: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1960.430311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.430311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.430311 (E_RNA) where: Base-Base interactions energy: -1352.762 where: short stacking energy: -548.467 Base-Backbone interact. energy: -3.860 local terms energy: -603.807805 where: bonds (distance) C4'-P energy: -115.470 bonds (distance) P-C4' energy: -114.146 flat angles C4'-P-C4' energy: -123.025 flat angles P-C4'-P energy: -95.156 tors. eta vs tors. theta energy: -156.011 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: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1783.132680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.132680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.132680 (E_RNA) where: Base-Base interactions energy: -1208.181 where: short stacking energy: -509.535 Base-Backbone interact. energy: -3.978 local terms energy: -570.973280 where: bonds (distance) C4'-P energy: -119.866 bonds (distance) P-C4' energy: -91.609 flat angles C4'-P-C4' energy: -138.020 flat angles P-C4'-P energy: -74.520 tors. eta vs tors. theta energy: -146.959 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: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1561.266991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.266991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.266991 (E_RNA) where: Base-Base interactions energy: -1049.098 where: short stacking energy: -454.816 Base-Backbone interact. energy: -3.002 local terms energy: -509.167776 where: bonds (distance) C4'-P energy: -98.377 bonds (distance) P-C4' energy: -103.165 flat angles C4'-P-C4' energy: -139.169 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -109.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1237.766136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.766136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.766136 (E_RNA) where: Base-Base interactions energy: -769.818 where: short stacking energy: -353.190 Base-Backbone interact. energy: -1.673 local terms energy: -466.275300 where: bonds (distance) C4'-P energy: -124.919 bonds (distance) P-C4' energy: -117.508 flat angles C4'-P-C4' energy: -95.012 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -66.855 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: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1049.247549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.247549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.247549 (E_RNA) where: Base-Base interactions energy: -619.856 where: short stacking energy: -318.947 Base-Backbone interact. energy: 0.524 local terms energy: -429.915300 where: bonds (distance) C4'-P energy: -105.426 bonds (distance) P-C4' energy: -109.643 flat angles C4'-P-C4' energy: -80.609 flat angles P-C4'-P energy: -87.335 tors. eta vs tors. theta energy: -46.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -597.859264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.859264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.859264 (E_RNA) where: Base-Base interactions energy: -253.894 where: short stacking energy: -180.355 Base-Backbone interact. energy: -0.022 local terms energy: -343.943772 where: bonds (distance) C4'-P energy: -96.740 bonds (distance) P-C4' energy: -118.187 flat angles C4'-P-C4' energy: -93.312 flat angles P-C4'-P energy: -59.414 tors. eta vs tors. theta energy: 23.710 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: 289 Temperature: 0.900000 Total energy: -2394.176293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.176293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.176293 (E_RNA) where: Base-Base interactions energy: -1639.839 where: short stacking energy: -716.114 Base-Backbone interact. energy: -0.873 local terms energy: -753.464140 where: bonds (distance) C4'-P energy: -131.793 bonds (distance) P-C4' energy: -131.229 flat angles C4'-P-C4' energy: -165.727 flat angles P-C4'-P energy: -111.753 tors. eta vs tors. theta energy: -212.963 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: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2265.493230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.493230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.493230 (E_RNA) where: Base-Base interactions energy: -1533.178 where: short stacking energy: -665.280 Base-Backbone interact. energy: -0.079 local terms energy: -732.235881 where: bonds (distance) C4'-P energy: -133.834 bonds (distance) P-C4' energy: -137.218 flat angles C4'-P-C4' energy: -155.444 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -207.190 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: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2237.215957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.215957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.215957 (E_RNA) where: Base-Base interactions energy: -1553.543 where: short stacking energy: -669.495 Base-Backbone interact. energy: -1.384 local terms energy: -682.288846 where: bonds (distance) C4'-P energy: -102.857 bonds (distance) P-C4' energy: -129.050 flat angles C4'-P-C4' energy: -149.402 flat angles P-C4'-P energy: -84.207 tors. eta vs tors. theta energy: -216.774 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: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2118.941596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.941596 (E_RNA) where: Base-Base interactions energy: -1472.743 where: short stacking energy: -601.336 Base-Backbone interact. energy: 3.598 local terms energy: -649.796057 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -125.611 flat angles C4'-P-C4' energy: -128.877 flat angles P-C4'-P energy: -93.555 tors. eta vs tors. theta energy: -181.424 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: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1977.541852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.541852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.541852 (E_RNA) where: Base-Base interactions energy: -1352.653 where: short stacking energy: -557.883 Base-Backbone interact. energy: -2.548 local terms energy: -622.340956 where: bonds (distance) C4'-P energy: -118.334 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -133.818 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -161.439 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: 289 Temperature: 1.150000 Total energy: -1759.840455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.840455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.840455 (E_RNA) where: Base-Base interactions energy: -1203.993 where: short stacking energy: -507.750 Base-Backbone interact. energy: -3.774 local terms energy: -552.073742 where: bonds (distance) C4'-P energy: -113.937 bonds (distance) P-C4' energy: -114.771 flat angles C4'-P-C4' energy: -122.960 flat angles P-C4'-P energy: -83.418 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: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1541.774831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.774831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.774831 (E_RNA) where: Base-Base interactions energy: -1013.340 where: short stacking energy: -458.139 Base-Backbone interact. energy: -2.757 local terms energy: -525.677992 where: bonds (distance) C4'-P energy: -118.885 bonds (distance) P-C4' energy: -114.965 flat angles C4'-P-C4' energy: -125.732 flat angles P-C4'-P energy: -58.195 tors. eta vs tors. theta energy: -107.901 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: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1161.884579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.884579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.884579 (E_RNA) where: Base-Base interactions energy: -690.489 where: short stacking energy: -342.488 Base-Backbone interact. energy: -2.457 local terms energy: -468.938546 where: bonds (distance) C4'-P energy: -108.141 bonds (distance) P-C4' energy: -131.643 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -52.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1092.978224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.978224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.978224 (E_RNA) where: Base-Base interactions energy: -649.668 where: short stacking energy: -317.210 Base-Backbone interact. energy: -0.143 local terms energy: -443.167333 where: bonds (distance) C4'-P energy: -82.608 bonds (distance) P-C4' energy: -119.604 flat angles C4'-P-C4' energy: -116.415 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -50.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -607.376925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.376925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.376925 (E_RNA) where: Base-Base interactions energy: -261.326 where: short stacking energy: -170.523 Base-Backbone interact. energy: 1.233 local terms energy: -347.283527 where: bonds (distance) C4'-P energy: -107.006 bonds (distance) P-C4' energy: -95.186 flat angles C4'-P-C4' energy: -118.427 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: 19.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2392.157921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.157921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.157921 (E_RNA) where: Base-Base interactions energy: -1638.241 where: short stacking energy: -687.894 Base-Backbone interact. energy: -4.943 local terms energy: -748.974160 where: bonds (distance) C4'-P energy: -131.988 bonds (distance) P-C4' energy: -144.635 flat angles C4'-P-C4' energy: -153.944 flat angles P-C4'-P energy: -110.555 tors. eta vs tors. theta energy: -207.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2251.601264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.601264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.601264 (E_RNA) where: Base-Base interactions energy: -1525.602 where: short stacking energy: -651.896 Base-Backbone interact. energy: 3.426 local terms energy: -729.425863 where: bonds (distance) C4'-P energy: -128.566 bonds (distance) P-C4' energy: -140.524 flat angles C4'-P-C4' energy: -155.078 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -204.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2246.337300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.337300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.337300 (E_RNA) where: Base-Base interactions energy: -1557.985 where: short stacking energy: -682.024 Base-Backbone interact. energy: -3.287 local terms energy: -685.065364 where: bonds (distance) C4'-P energy: -119.336 bonds (distance) P-C4' energy: -126.282 flat angles C4'-P-C4' energy: -145.010 flat angles P-C4'-P energy: -84.665 tors. eta vs tors. theta energy: -209.772 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: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2086.974528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.974528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.974528 (E_RNA) where: Base-Base interactions energy: -1448.062 where: short stacking energy: -548.882 Base-Backbone interact. energy: -2.731 local terms energy: -636.181608 where: bonds (distance) C4'-P energy: -112.337 bonds (distance) P-C4' energy: -131.277 flat angles C4'-P-C4' energy: -138.570 flat angles P-C4'-P energy: -87.924 tors. eta vs tors. theta energy: -166.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1998.460342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.460342 (E_RNA) where: Base-Base interactions energy: -1384.510 where: short stacking energy: -584.457 Base-Backbone interact. energy: -3.082 local terms energy: -610.868570 where: bonds (distance) C4'-P energy: -112.413 bonds (distance) P-C4' energy: -120.689 flat angles C4'-P-C4' energy: -129.781 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -176.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1823.616736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.616736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.616736 (E_RNA) where: Base-Base interactions energy: -1238.177 where: short stacking energy: -517.074 Base-Backbone interact. energy: -2.765 local terms energy: -582.674425 where: bonds (distance) C4'-P energy: -116.923 bonds (distance) P-C4' energy: -129.340 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -134.943 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: 290 Temperature: 1.200000 Total energy: -1568.202245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.202245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.202245 (E_RNA) where: Base-Base interactions energy: -1029.052 where: short stacking energy: -453.161 Base-Backbone interact. energy: -3.313 local terms energy: -535.837941 where: bonds (distance) C4'-P energy: -106.265 bonds (distance) P-C4' energy: -121.040 flat angles C4'-P-C4' energy: -111.891 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -119.320 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: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1158.754796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.754796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.754796 (E_RNA) where: Base-Base interactions energy: -713.233 where: short stacking energy: -336.473 Base-Backbone interact. energy: -2.995 local terms energy: -442.526437 where: bonds (distance) C4'-P energy: -87.467 bonds (distance) P-C4' energy: -100.568 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -74.617 tors. eta vs tors. theta energy: -66.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1086.190687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.190687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.190687 (E_RNA) where: Base-Base interactions energy: -639.894 where: short stacking energy: -307.090 Base-Backbone interact. energy: -1.716 local terms energy: -444.580829 where: bonds (distance) C4'-P energy: -111.599 bonds (distance) P-C4' energy: -128.957 flat angles C4'-P-C4' energy: -100.582 flat angles P-C4'-P energy: -63.485 tors. eta vs tors. theta energy: -39.958 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: 10, replica: 4 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -616.154109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.154109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.154109 (E_RNA) where: Base-Base interactions energy: -273.745 where: short stacking energy: -175.616 Base-Backbone interact. energy: -0.831 local terms energy: -341.578410 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -102.786 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: 11.407 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: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2396.881460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.881460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.881460 (E_RNA) where: Base-Base interactions energy: -1665.297 where: short stacking energy: -706.475 Base-Backbone interact. energy: 1.052 local terms energy: -732.636693 where: bonds (distance) C4'-P energy: -120.715 bonds (distance) P-C4' energy: -139.570 flat angles C4'-P-C4' energy: -161.203 flat angles P-C4'-P energy: -94.083 tors. eta vs tors. theta energy: -217.067 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: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2327.257607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.257607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.257607 (E_RNA) where: Base-Base interactions energy: -1600.875 where: short stacking energy: -698.689 Base-Backbone interact. energy: -2.939 local terms energy: -723.443272 where: bonds (distance) C4'-P energy: -122.606 bonds (distance) P-C4' energy: -133.361 flat angles C4'-P-C4' energy: -156.990 flat angles P-C4'-P energy: -98.148 tors. eta vs tors. theta energy: -212.339 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: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2222.615046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.615046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.615046 (E_RNA) where: Base-Base interactions energy: -1534.028 where: short stacking energy: -649.786 Base-Backbone interact. energy: -1.207 local terms energy: -687.379938 where: bonds (distance) C4'-P energy: -126.487 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -148.271 flat angles P-C4'-P energy: -90.674 tors. eta vs tors. theta energy: -199.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2054.657444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.657444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.657444 (E_RNA) where: Base-Base interactions energy: -1405.545 where: short stacking energy: -565.812 Base-Backbone interact. energy: -4.084 local terms energy: -645.027631 where: bonds (distance) C4'-P energy: -117.798 bonds (distance) P-C4' energy: -121.186 flat angles C4'-P-C4' energy: -142.901 flat angles P-C4'-P energy: -94.392 tors. eta vs tors. theta energy: -168.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1980.574561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.574561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.574561 (E_RNA) where: Base-Base interactions energy: -1379.572 where: short stacking energy: -555.609 Base-Backbone interact. energy: 0.121 local terms energy: -601.123441 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -118.534 flat angles C4'-P-C4' energy: -120.561 flat angles P-C4'-P energy: -77.432 tors. eta vs tors. theta energy: -160.400 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: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1808.847048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.847048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.847048 (E_RNA) where: Base-Base interactions energy: -1251.699 where: short stacking energy: -495.358 Base-Backbone interact. energy: 0.464 local terms energy: -557.611504 where: bonds (distance) C4'-P energy: -107.038 bonds (distance) P-C4' energy: -114.677 flat angles C4'-P-C4' energy: -119.547 flat angles P-C4'-P energy: -77.345 tors. eta vs tors. theta energy: -139.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1591.780476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.780476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.780476 (E_RNA) where: Base-Base interactions energy: -1044.493 where: short stacking energy: -446.900 Base-Backbone interact. energy: -2.642 local terms energy: -544.644847 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -105.613 flat angles C4'-P-C4' energy: -132.205 flat angles P-C4'-P energy: -90.068 tors. eta vs tors. theta energy: -115.953 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: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1178.843218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.843218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.843218 (E_RNA) where: Base-Base interactions energy: -711.555 where: short stacking energy: -308.217 Base-Backbone interact. energy: -4.481 local terms energy: -462.806592 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -127.955 flat angles C4'-P-C4' energy: -100.475 flat angles P-C4'-P energy: -74.377 tors. eta vs tors. theta energy: -43.634 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1072.728646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.728646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.728646 (E_RNA) where: Base-Base interactions energy: -657.103 where: short stacking energy: -314.921 Base-Backbone interact. energy: 0.429 local terms energy: -416.054892 where: bonds (distance) C4'-P energy: -100.489 bonds (distance) P-C4' energy: -103.136 flat angles C4'-P-C4' energy: -98.726 flat angles P-C4'-P energy: -69.805 tors. eta vs tors. theta energy: -43.900 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: 4 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -591.580582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.580582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.580582 (E_RNA) where: Base-Base interactions energy: -245.703 where: short stacking energy: -163.266 Base-Backbone interact. energy: -1.447 local terms energy: -344.430756 where: bonds (distance) C4'-P energy: -113.012 bonds (distance) P-C4' energy: -111.038 flat angles C4'-P-C4' energy: -93.733 flat angles P-C4'-P energy: -46.309 tors. eta vs tors. theta energy: 19.661 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: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2379.292367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.292367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.292367 (E_RNA) where: Base-Base interactions energy: -1644.246 where: short stacking energy: -701.916 Base-Backbone interact. energy: -2.060 local terms energy: -732.987025 where: bonds (distance) C4'-P energy: -147.899 bonds (distance) P-C4' energy: -129.286 flat angles C4'-P-C4' energy: -158.817 flat angles P-C4'-P energy: -95.242 tors. eta vs tors. theta energy: -201.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2305.012727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.012727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.012727 (E_RNA) where: Base-Base interactions energy: -1555.668 where: short stacking energy: -676.978 Base-Backbone interact. energy: -2.324 local terms energy: -747.020932 where: bonds (distance) C4'-P energy: -142.999 bonds (distance) P-C4' energy: -132.069 flat angles C4'-P-C4' energy: -155.977 flat angles P-C4'-P energy: -103.950 tors. eta vs tors. theta energy: -212.026 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: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2236.225769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.225769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.225769 (E_RNA) where: Base-Base interactions energy: -1541.167 where: short stacking energy: -656.329 Base-Backbone interact. energy: -1.090 local terms energy: -693.968942 where: bonds (distance) C4'-P energy: -129.188 bonds (distance) P-C4' energy: -114.407 flat angles C4'-P-C4' energy: -139.353 flat angles P-C4'-P energy: -102.924 tors. eta vs tors. theta energy: -208.097 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: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2049.546302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.546302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.546302 (E_RNA) where: Base-Base interactions energy: -1420.211 where: short stacking energy: -563.164 Base-Backbone interact. energy: -2.907 local terms energy: -626.427957 where: bonds (distance) C4'-P energy: -114.764 bonds (distance) P-C4' energy: -120.963 flat angles C4'-P-C4' energy: -136.369 flat angles P-C4'-P energy: -87.450 tors. eta vs tors. theta energy: -166.882 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: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2003.705607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.705607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.705607 (E_RNA) where: Base-Base interactions energy: -1358.439 where: short stacking energy: -574.051 Base-Backbone interact. energy: 0.559 local terms energy: -645.826209 where: bonds (distance) C4'-P energy: -123.376 bonds (distance) P-C4' energy: -121.761 flat angles C4'-P-C4' energy: -136.040 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -170.802 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: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1838.192394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.192394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.192394 (E_RNA) where: Base-Base interactions energy: -1227.130 where: short stacking energy: -521.593 Base-Backbone interact. energy: -2.325 local terms energy: -608.737794 where: bonds (distance) C4'-P energy: -127.355 bonds (distance) P-C4' energy: -108.887 flat angles C4'-P-C4' energy: -144.000 flat angles P-C4'-P energy: -80.108 tors. eta vs tors. theta energy: -148.387 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: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1537.720668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.720668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.720668 (E_RNA) where: Base-Base interactions energy: -974.689 where: short stacking energy: -418.812 Base-Backbone interact. energy: -4.398 local terms energy: -558.633050 where: bonds (distance) C4'-P energy: -110.898 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -139.508 flat angles P-C4'-P energy: -81.742 tors. eta vs tors. theta energy: -98.789 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: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1207.517186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.517186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.517186 (E_RNA) where: Base-Base interactions energy: -734.452 where: short stacking energy: -371.177 Base-Backbone interact. energy: -2.755 local terms energy: -470.309853 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -114.202 flat angles C4'-P-C4' energy: -102.107 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -58.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1101.116808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.116808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.116808 (E_RNA) where: Base-Base interactions energy: -666.869 where: short stacking energy: -325.679 Base-Backbone interact. energy: 1.940 local terms energy: -436.187950 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -107.993 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -52.446 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: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -634.370959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.370959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.370959 (E_RNA) where: Base-Base interactions energy: -283.445 where: short stacking energy: -193.010 Base-Backbone interact. energy: 4.228 local terms energy: -355.154568 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -110.690 flat angles C4'-P-C4' energy: -79.354 flat angles P-C4'-P energy: -58.989 tors. eta vs tors. theta energy: 9.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2401.621819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.621819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.621819 (E_RNA) where: Base-Base interactions energy: -1668.867 where: short stacking energy: -718.141 Base-Backbone interact. energy: -0.824 local terms energy: -731.931261 where: bonds (distance) C4'-P energy: -137.907 bonds (distance) P-C4' energy: -149.250 flat angles C4'-P-C4' energy: -149.446 flat angles P-C4'-P energy: -77.277 tors. eta vs tors. theta energy: -218.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2338.120730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.120730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.120730 (E_RNA) where: Base-Base interactions energy: -1619.135 where: short stacking energy: -698.215 Base-Backbone interact. energy: -1.591 local terms energy: -717.394868 where: bonds (distance) C4'-P energy: -122.739 bonds (distance) P-C4' energy: -127.891 flat angles C4'-P-C4' energy: -153.622 flat angles P-C4'-P energy: -98.951 tors. eta vs tors. theta energy: -214.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2206.118338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.118338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.118338 (E_RNA) where: Base-Base interactions energy: -1506.174 where: short stacking energy: -653.002 Base-Backbone interact. energy: -1.365 local terms energy: -698.579819 where: bonds (distance) C4'-P energy: -116.030 bonds (distance) P-C4' energy: -134.744 flat angles C4'-P-C4' energy: -138.474 flat angles P-C4'-P energy: -105.654 tors. eta vs tors. theta energy: -203.680 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: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2027.662787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.662787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.662787 (E_RNA) where: Base-Base interactions energy: -1390.583 where: short stacking energy: -570.133 Base-Backbone interact. energy: -2.564 local terms energy: -634.514941 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -121.420 flat angles C4'-P-C4' energy: -142.814 flat angles P-C4'-P energy: -88.431 tors. eta vs tors. theta energy: -162.610 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: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1970.252959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.252959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.252959 (E_RNA) where: Base-Base interactions energy: -1343.279 where: short stacking energy: -571.668 Base-Backbone interact. energy: -0.886 local terms energy: -626.087235 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -122.206 flat angles C4'-P-C4' energy: -144.908 flat angles P-C4'-P energy: -87.107 tors. eta vs tors. theta energy: -162.341 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: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1790.629253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.629253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.629253 (E_RNA) where: Base-Base interactions energy: -1197.646 where: short stacking energy: -481.101 Base-Backbone interact. energy: -3.089 local terms energy: -589.894142 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -133.957 flat angles C4'-P-C4' energy: -134.009 flat angles P-C4'-P energy: -83.601 tors. eta vs tors. theta energy: -130.893 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: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1569.411788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.411788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.411788 (E_RNA) where: Base-Base interactions energy: -1027.476 where: short stacking energy: -451.255 Base-Backbone interact. energy: -0.674 local terms energy: -541.261761 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -123.695 flat angles C4'-P-C4' energy: -123.164 flat angles P-C4'-P energy: -77.194 tors. eta vs tors. theta energy: -104.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1238.600583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.600583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.600583 (E_RNA) where: Base-Base interactions energy: -761.129 where: short stacking energy: -356.722 Base-Backbone interact. energy: 1.195 local terms energy: -478.666096 where: bonds (distance) C4'-P energy: -97.308 bonds (distance) P-C4' energy: -133.710 flat angles C4'-P-C4' energy: -110.004 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -65.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1097.188164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.188164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.188164 (E_RNA) where: Base-Base interactions energy: -662.324 where: short stacking energy: -323.903 Base-Backbone interact. energy: 1.023 local terms energy: -435.887157 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -112.475 flat angles P-C4'-P energy: -57.171 tors. eta vs tors. theta energy: -57.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -681.014332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.014332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.014332 (E_RNA) where: Base-Base interactions energy: -310.829 where: short stacking energy: -200.198 Base-Backbone interact. energy: 0.300 local terms energy: -370.486008 where: bonds (distance) C4'-P energy: -127.639 bonds (distance) P-C4' energy: -99.789 flat angles C4'-P-C4' energy: -85.447 flat angles P-C4'-P energy: -63.698 tors. eta vs tors. theta energy: 6.088 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: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2378.246898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.246898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.246898 (E_RNA) where: Base-Base interactions energy: -1654.607 where: short stacking energy: -708.559 Base-Backbone interact. energy: -1.636 local terms energy: -722.003061 where: bonds (distance) C4'-P energy: -126.201 bonds (distance) P-C4' energy: -128.520 flat angles C4'-P-C4' energy: -157.514 flat angles P-C4'-P energy: -100.429 tors. eta vs tors. theta energy: -209.339 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: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2332.626069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.626069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.626069 (E_RNA) where: Base-Base interactions energy: -1595.378 where: short stacking energy: -685.040 Base-Backbone interact. energy: -3.575 local terms energy: -733.672912 where: bonds (distance) C4'-P energy: -131.340 bonds (distance) P-C4' energy: -138.668 flat angles C4'-P-C4' energy: -146.020 flat angles P-C4'-P energy: -98.977 tors. eta vs tors. theta energy: -218.667 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: 3, replica: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2237.253520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.253520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.253520 (E_RNA) where: Base-Base interactions energy: -1534.984 where: short stacking energy: -656.013 Base-Backbone interact. energy: -1.130 local terms energy: -701.139772 where: bonds (distance) C4'-P energy: -126.160 bonds (distance) P-C4' energy: -145.021 flat angles C4'-P-C4' energy: -143.962 flat angles P-C4'-P energy: -97.533 tors. eta vs tors. theta energy: -188.465 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: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2055.245360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.245360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.245360 (E_RNA) where: Base-Base interactions energy: -1403.875 where: short stacking energy: -593.413 Base-Backbone interact. energy: -1.685 local terms energy: -649.685412 where: bonds (distance) C4'-P energy: -127.294 bonds (distance) P-C4' energy: -111.265 flat angles C4'-P-C4' energy: -140.368 flat angles P-C4'-P energy: -104.512 tors. eta vs tors. theta energy: -166.247 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: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1970.124799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.124799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.124799 (E_RNA) where: Base-Base interactions energy: -1354.714 where: short stacking energy: -568.820 Base-Backbone interact. energy: -1.293 local terms energy: -614.117647 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -126.776 flat angles C4'-P-C4' energy: -126.341 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -159.390 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: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1769.191830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.191830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.191830 (E_RNA) where: Base-Base interactions energy: -1165.018 where: short stacking energy: -479.319 Base-Backbone interact. energy: -2.231 local terms energy: -601.942687 where: bonds (distance) C4'-P energy: -130.845 bonds (distance) P-C4' energy: -132.735 flat angles C4'-P-C4' energy: -131.947 flat angles P-C4'-P energy: -81.884 tors. eta vs tors. theta energy: -124.532 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: 7, replica: 8 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1575.139670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.139670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.139670 (E_RNA) where: Base-Base interactions energy: -1041.291 where: short stacking energy: -439.610 Base-Backbone interact. energy: 2.628 local terms energy: -536.476518 where: bonds (distance) C4'-P energy: -117.262 bonds (distance) P-C4' energy: -121.434 flat angles C4'-P-C4' energy: -129.975 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -107.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1233.780888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.780888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.780888 (E_RNA) where: Base-Base interactions energy: -779.961 where: short stacking energy: -364.518 Base-Backbone interact. energy: -1.831 local terms energy: -451.989747 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -114.257 flat angles P-C4'-P energy: -68.173 tors. eta vs tors. theta energy: -70.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1106.359608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.359608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.359608 (E_RNA) where: Base-Base interactions energy: -637.362 where: short stacking energy: -306.135 Base-Backbone interact. energy: -1.631 local terms energy: -467.366242 where: bonds (distance) C4'-P energy: -140.540 bonds (distance) P-C4' energy: -99.381 flat angles C4'-P-C4' energy: -106.891 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -58.043 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: 10, replica: 4 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -685.042251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.042251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.042251 (E_RNA) where: Base-Base interactions energy: -352.585 where: short stacking energy: -205.497 Base-Backbone interact. energy: 7.640 local terms energy: -340.097737 where: bonds (distance) C4'-P energy: -96.035 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -84.229 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -1.108 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: 1, replica: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2343.707760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.707760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.707760 (E_RNA) where: Base-Base interactions energy: -1632.387 where: short stacking energy: -679.556 Base-Backbone interact. energy: -2.138 local terms energy: -709.182645 where: bonds (distance) C4'-P energy: -109.888 bonds (distance) P-C4' energy: -139.827 flat angles C4'-P-C4' energy: -163.696 flat angles P-C4'-P energy: -92.253 tors. eta vs tors. theta energy: -203.519 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: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2293.851628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.851628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.851628 (E_RNA) where: Base-Base interactions energy: -1588.038 where: short stacking energy: -675.247 Base-Backbone interact. energy: -3.379 local terms energy: -702.434363 where: bonds (distance) C4'-P energy: -136.717 bonds (distance) P-C4' energy: -107.115 flat angles C4'-P-C4' energy: -151.193 flat angles P-C4'-P energy: -98.391 tors. eta vs tors. theta energy: -209.019 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: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2222.777165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.777165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.777165 (E_RNA) where: Base-Base interactions energy: -1525.584 where: short stacking energy: -638.651 Base-Backbone interact. energy: -0.346 local terms energy: -696.846927 where: bonds (distance) C4'-P energy: -122.584 bonds (distance) P-C4' energy: -134.069 flat angles C4'-P-C4' energy: -147.576 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -203.468 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: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2025.324333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.324333 (E_RNA) where: Base-Base interactions energy: -1382.673 where: short stacking energy: -571.475 Base-Backbone interact. energy: -0.014 local terms energy: -642.637990 where: bonds (distance) C4'-P energy: -111.598 bonds (distance) P-C4' energy: -138.284 flat angles C4'-P-C4' energy: -130.408 flat angles P-C4'-P energy: -99.812 tors. eta vs tors. theta energy: -162.536 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: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1964.795027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.795027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.795027 (E_RNA) where: Base-Base interactions energy: -1308.898 where: short stacking energy: -548.262 Base-Backbone interact. energy: -3.017 local terms energy: -652.880245 where: bonds (distance) C4'-P energy: -122.065 bonds (distance) P-C4' energy: -130.742 flat angles C4'-P-C4' energy: -153.556 flat angles P-C4'-P energy: -98.689 tors. eta vs tors. theta energy: -147.829 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: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1783.990302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.990302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.990302 (E_RNA) where: Base-Base interactions energy: -1234.876 where: short stacking energy: -533.254 Base-Backbone interact. energy: 0.058 local terms energy: -549.171343 where: bonds (distance) C4'-P energy: -96.461 bonds (distance) P-C4' energy: -104.712 flat angles C4'-P-C4' energy: -133.918 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -137.518 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: 7, replica: 8 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1547.870617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.870617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.870617 (E_RNA) where: Base-Base interactions energy: -1030.813 where: short stacking energy: -445.765 Base-Backbone interact. energy: 6.965 local terms energy: -524.023206 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -111.365 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -105.130 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: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1189.479717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.479717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.479717 (E_RNA) where: Base-Base interactions energy: -715.031 where: short stacking energy: -313.048 Base-Backbone interact. energy: -3.620 local terms energy: -470.827913 where: bonds (distance) C4'-P energy: -112.207 bonds (distance) P-C4' energy: -119.636 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -56.144 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: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1038.881441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.881441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.881441 (E_RNA) where: Base-Base interactions energy: -599.917 where: short stacking energy: -279.514 Base-Backbone interact. energy: 1.649 local terms energy: -440.613973 where: bonds (distance) C4'-P energy: -123.487 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -101.516 flat angles P-C4'-P energy: -66.295 tors. eta vs tors. theta energy: -36.298 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: 4 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -639.559752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.559752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.559752 (E_RNA) where: Base-Base interactions energy: -286.825 where: short stacking energy: -188.182 Base-Backbone interact. energy: -2.503 local terms energy: -350.230993 where: bonds (distance) C4'-P energy: -82.356 bonds (distance) P-C4' energy: -107.118 flat angles C4'-P-C4' energy: -94.725 flat angles P-C4'-P energy: -55.654 tors. eta vs tors. theta energy: -10.378 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: 296 Temperature: 0.900000 Total energy: -2390.548814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.548814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.548814 (E_RNA) where: Base-Base interactions energy: -1661.180 where: short stacking energy: -720.945 Base-Backbone interact. energy: -3.652 local terms energy: -725.717247 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -133.915 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -105.546 tors. eta vs tors. theta energy: -210.851 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: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2287.232692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.232692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.232692 (E_RNA) where: Base-Base interactions energy: -1562.686 where: short stacking energy: -673.097 Base-Backbone interact. energy: -0.843 local terms energy: -723.703955 where: bonds (distance) C4'-P energy: -130.581 bonds (distance) P-C4' energy: -140.079 flat angles C4'-P-C4' energy: -149.196 flat angles P-C4'-P energy: -99.296 tors. eta vs tors. theta energy: -204.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2221.856294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.856294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.856294 (E_RNA) where: Base-Base interactions energy: -1530.670 where: short stacking energy: -627.316 Base-Backbone interact. energy: -2.624 local terms energy: -688.562443 where: bonds (distance) C4'-P energy: -116.960 bonds (distance) P-C4' energy: -125.135 flat angles C4'-P-C4' energy: -155.425 flat angles P-C4'-P energy: -91.501 tors. eta vs tors. theta energy: -199.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2022.122704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.122704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.122704 (E_RNA) where: Base-Base interactions energy: -1385.475 where: short stacking energy: -580.122 Base-Backbone interact. energy: -3.880 local terms energy: -632.767239 where: bonds (distance) C4'-P energy: -109.030 bonds (distance) P-C4' energy: -121.732 flat angles C4'-P-C4' energy: -150.130 flat angles P-C4'-P energy: -85.203 tors. eta vs tors. theta energy: -166.672 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: 296 Temperature: 1.100000 Total energy: -1963.147411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.147411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.147411 (E_RNA) where: Base-Base interactions energy: -1342.587 where: short stacking energy: -551.350 Base-Backbone interact. energy: -3.821 local terms energy: -616.739450 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -107.920 flat angles C4'-P-C4' energy: -142.969 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -165.415 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: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1771.473460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.473460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.473460 (E_RNA) where: Base-Base interactions energy: -1185.302 where: short stacking energy: -503.007 Base-Backbone interact. energy: 1.446 local terms energy: -587.617468 where: bonds (distance) C4'-P energy: -116.894 bonds (distance) P-C4' energy: -119.605 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -89.576 tors. eta vs tors. theta energy: -133.963 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: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1529.710560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.710560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.710560 (E_RNA) where: Base-Base interactions energy: -996.443 where: short stacking energy: -442.675 Base-Backbone interact. energy: -1.972 local terms energy: -531.295654 where: bonds (distance) C4'-P energy: -126.924 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -127.469 flat angles P-C4'-P energy: -85.186 tors. eta vs tors. theta energy: -101.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1223.275891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.275891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.275891 (E_RNA) where: Base-Base interactions energy: -730.643 where: short stacking energy: -391.776 Base-Backbone interact. energy: 0.204 local terms energy: -492.837041 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -125.201 flat angles C4'-P-C4' energy: -114.536 flat angles P-C4'-P energy: -65.765 tors. eta vs tors. theta energy: -86.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -985.396543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.396543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.396543 (E_RNA) where: Base-Base interactions energy: -562.848 where: short stacking energy: -267.240 Base-Backbone interact. energy: -0.662 local terms energy: -421.887022 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -108.510 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: -32.878 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: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -609.431766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.431766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.431766 (E_RNA) where: Base-Base interactions energy: -280.991 where: short stacking energy: -177.848 Base-Backbone interact. energy: 4.069 local terms energy: -332.509726 where: bonds (distance) C4'-P energy: -96.847 bonds (distance) P-C4' energy: -87.428 flat angles C4'-P-C4' energy: -100.675 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: 23.304 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: 297 Temperature: 0.900000 Total energy: -2402.592671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.592671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.592671 (E_RNA) where: Base-Base interactions energy: -1656.212 where: short stacking energy: -710.222 Base-Backbone interact. energy: -2.261 local terms energy: -744.118985 where: bonds (distance) C4'-P energy: -137.793 bonds (distance) P-C4' energy: -140.735 flat angles C4'-P-C4' energy: -154.275 flat angles P-C4'-P energy: -101.643 tors. eta vs tors. theta energy: -209.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2321.222592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.222592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.222592 (E_RNA) where: Base-Base interactions energy: -1594.300 where: short stacking energy: -710.953 Base-Backbone interact. energy: -1.791 local terms energy: -725.130870 where: bonds (distance) C4'-P energy: -117.225 bonds (distance) P-C4' energy: -127.570 flat angles C4'-P-C4' energy: -161.285 flat angles P-C4'-P energy: -106.580 tors. eta vs tors. theta energy: -212.470 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: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2254.523186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.523186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.523186 (E_RNA) where: Base-Base interactions energy: -1552.043 where: short stacking energy: -649.124 Base-Backbone interact. energy: -5.038 local terms energy: -697.441841 where: bonds (distance) C4'-P energy: -127.177 bonds (distance) P-C4' energy: -137.801 flat angles C4'-P-C4' energy: -146.651 flat angles P-C4'-P energy: -88.482 tors. eta vs tors. theta energy: -197.332 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: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2040.151218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.151218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.151218 (E_RNA) where: Base-Base interactions energy: -1383.887 where: short stacking energy: -570.906 Base-Backbone interact. energy: -6.088 local terms energy: -650.176207 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -134.194 flat angles C4'-P-C4' energy: -145.736 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -165.574 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: 297 Temperature: 1.100000 Total energy: -1910.707907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.707907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.707907 (E_RNA) where: Base-Base interactions energy: -1297.902 where: short stacking energy: -534.898 Base-Backbone interact. energy: -1.001 local terms energy: -611.805001 where: bonds (distance) C4'-P energy: -108.366 bonds (distance) P-C4' energy: -116.846 flat angles C4'-P-C4' energy: -147.013 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -153.464 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: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1800.174761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.174761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.174761 (E_RNA) where: Base-Base interactions energy: -1197.268 where: short stacking energy: -512.913 Base-Backbone interact. energy: -0.310 local terms energy: -602.596722 where: bonds (distance) C4'-P energy: -115.637 bonds (distance) P-C4' energy: -112.304 flat angles C4'-P-C4' energy: -125.706 flat angles P-C4'-P energy: -102.152 tors. eta vs tors. theta energy: -146.798 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: 7, replica: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1514.067788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.067788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.067788 (E_RNA) where: Base-Base interactions energy: -1007.463 where: short stacking energy: -450.515 Base-Backbone interact. energy: -2.986 local terms energy: -503.618698 where: bonds (distance) C4'-P energy: -114.476 bonds (distance) P-C4' energy: -91.802 flat angles C4'-P-C4' energy: -125.219 flat angles P-C4'-P energy: -68.033 tors. eta vs tors. theta energy: -104.089 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: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1092.152522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.152522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.152522 (E_RNA) where: Base-Base interactions energy: -646.995 where: short stacking energy: -315.303 Base-Backbone interact. energy: -2.696 local terms energy: -442.461001 where: bonds (distance) C4'-P energy: -97.448 bonds (distance) P-C4' energy: -100.478 flat angles C4'-P-C4' energy: -108.440 flat angles P-C4'-P energy: -72.076 tors. eta vs tors. theta energy: -64.019 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: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -988.549482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.549482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.549482 (E_RNA) where: Base-Base interactions energy: -570.573 where: short stacking energy: -288.286 Base-Backbone interact. energy: -1.299 local terms energy: -416.677364 where: bonds (distance) C4'-P energy: -115.585 bonds (distance) P-C4' energy: -113.960 flat angles C4'-P-C4' energy: -91.381 flat angles P-C4'-P energy: -56.343 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: 10, replica: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -619.236233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.236233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.236233 (E_RNA) where: Base-Base interactions energy: -262.013 where: short stacking energy: -199.306 Base-Backbone interact. energy: -0.217 local terms energy: -357.006567 where: bonds (distance) C4'-P energy: -98.381 bonds (distance) P-C4' energy: -107.773 flat angles C4'-P-C4' energy: -97.787 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -2.984 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: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2382.597270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.597270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.597270 (E_RNA) where: Base-Base interactions energy: -1657.751 where: short stacking energy: -712.678 Base-Backbone interact. energy: -3.494 local terms energy: -721.351917 where: bonds (distance) C4'-P energy: -132.761 bonds (distance) P-C4' energy: -118.913 flat angles C4'-P-C4' energy: -157.648 flat angles P-C4'-P energy: -94.590 tors. eta vs tors. theta energy: -217.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2319.599720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.599720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.599720 (E_RNA) where: Base-Base interactions energy: -1596.335 where: short stacking energy: -701.738 Base-Backbone interact. energy: -1.712 local terms energy: -721.552413 where: bonds (distance) C4'-P energy: -134.465 bonds (distance) P-C4' energy: -130.545 flat angles C4'-P-C4' energy: -141.222 flat angles P-C4'-P energy: -96.655 tors. eta vs tors. theta energy: -218.665 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: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2221.730624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.730624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.730624 (E_RNA) where: Base-Base interactions energy: -1521.378 where: short stacking energy: -636.339 Base-Backbone interact. energy: 2.090 local terms energy: -702.442171 where: bonds (distance) C4'-P energy: -109.321 bonds (distance) P-C4' energy: -138.177 flat angles C4'-P-C4' energy: -157.491 flat angles P-C4'-P energy: -100.383 tors. eta vs tors. theta energy: -197.070 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: 4, replica: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2041.644047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.644047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.644047 (E_RNA) where: Base-Base interactions energy: -1423.781 where: short stacking energy: -596.689 Base-Backbone interact. energy: -3.236 local terms energy: -614.627421 where: bonds (distance) C4'-P energy: -104.651 bonds (distance) P-C4' energy: -123.947 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -89.299 tors. eta vs tors. theta energy: -176.475 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: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1936.326532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.326532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.326532 (E_RNA) where: Base-Base interactions energy: -1322.607 where: short stacking energy: -586.137 Base-Backbone interact. energy: 4.005 local terms energy: -617.723624 where: bonds (distance) C4'-P energy: -105.742 bonds (distance) P-C4' energy: -117.106 flat angles C4'-P-C4' energy: -137.680 flat angles P-C4'-P energy: -91.422 tors. eta vs tors. theta energy: -165.773 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1720.777390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.777390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.777390 (E_RNA) where: Base-Base interactions energy: -1159.346 where: short stacking energy: -515.804 Base-Backbone interact. energy: -2.203 local terms energy: -559.227807 where: bonds (distance) C4'-P energy: -108.592 bonds (distance) P-C4' energy: -122.941 flat angles C4'-P-C4' energy: -119.050 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -131.601 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: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1543.463847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.463847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.463847 (E_RNA) where: Base-Base interactions energy: -1016.522 where: short stacking energy: -452.419 Base-Backbone interact. energy: -0.379 local terms energy: -526.563285 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -105.726 flat angles C4'-P-C4' energy: -129.001 flat angles P-C4'-P energy: -80.066 tors. eta vs tors. theta energy: -110.591 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: 298 Temperature: 1.250000 Total energy: -1128.459776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.459776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.459776 (E_RNA) where: Base-Base interactions energy: -688.071 where: short stacking energy: -346.361 Base-Backbone interact. energy: 3.291 local terms energy: -443.679953 where: bonds (distance) C4'-P energy: -102.722 bonds (distance) P-C4' energy: -126.332 flat angles C4'-P-C4' energy: -90.334 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -54.049 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: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1082.974245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.974245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.974245 (E_RNA) where: Base-Base interactions energy: -656.852 where: short stacking energy: -277.908 Base-Backbone interact. energy: -0.969 local terms energy: -425.152935 where: bonds (distance) C4'-P energy: -111.014 bonds (distance) P-C4' energy: -107.401 flat angles C4'-P-C4' energy: -99.794 flat angles P-C4'-P energy: -76.997 tors. eta vs tors. theta energy: -29.947 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: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -604.595779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.595779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.595779 (E_RNA) where: Base-Base interactions energy: -265.892 where: short stacking energy: -159.415 Base-Backbone interact. energy: 3.578 local terms energy: -342.282215 where: bonds (distance) C4'-P energy: -90.224 bonds (distance) P-C4' energy: -113.651 flat angles C4'-P-C4' energy: -107.064 flat angles P-C4'-P energy: -45.711 tors. eta vs tors. theta energy: 14.368 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: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2387.331854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.331854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.331854 (E_RNA) where: Base-Base interactions energy: -1653.006 where: short stacking energy: -706.381 Base-Backbone interact. energy: -2.844 local terms energy: -731.481842 where: bonds (distance) C4'-P energy: -130.881 bonds (distance) P-C4' energy: -121.315 flat angles C4'-P-C4' energy: -161.643 flat angles P-C4'-P energy: -107.679 tors. eta vs tors. theta energy: -209.964 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: 2, replica: 2 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2301.194021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.194021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.194021 (E_RNA) where: Base-Base interactions energy: -1576.737 where: short stacking energy: -695.429 Base-Backbone interact. energy: 1.714 local terms energy: -726.171375 where: bonds (distance) C4'-P energy: -132.335 bonds (distance) P-C4' energy: -129.280 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -105.601 tors. eta vs tors. theta energy: -207.283 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: 3, replica: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2219.236847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.236847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.236847 (E_RNA) where: Base-Base interactions energy: -1536.799 where: short stacking energy: -655.969 Base-Backbone interact. energy: -5.112 local terms energy: -677.325215 where: bonds (distance) C4'-P energy: -121.860 bonds (distance) P-C4' energy: -123.725 flat angles C4'-P-C4' energy: -148.631 flat angles P-C4'-P energy: -93.671 tors. eta vs tors. theta energy: -189.437 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: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2000.872991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.872991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.872991 (E_RNA) where: Base-Base interactions energy: -1355.225 where: short stacking energy: -552.275 Base-Backbone interact. energy: 0.484 local terms energy: -646.131650 where: bonds (distance) C4'-P energy: -117.058 bonds (distance) P-C4' energy: -129.010 flat angles C4'-P-C4' energy: -145.896 flat angles P-C4'-P energy: -92.486 tors. eta vs tors. theta energy: -161.681 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: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1922.649170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.649170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.649170 (E_RNA) where: Base-Base interactions energy: -1283.269 where: short stacking energy: -553.140 Base-Backbone interact. energy: 0.629 local terms energy: -640.008752 where: bonds (distance) C4'-P energy: -109.668 bonds (distance) P-C4' energy: -130.165 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -97.747 tors. eta vs tors. theta energy: -171.291 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: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1712.123682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.123682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.123682 (E_RNA) where: Base-Base interactions energy: -1141.457 where: short stacking energy: -483.823 Base-Backbone interact. energy: -0.610 local terms energy: -570.056227 where: bonds (distance) C4'-P energy: -123.130 bonds (distance) P-C4' energy: -108.179 flat angles C4'-P-C4' energy: -127.171 flat angles P-C4'-P energy: -81.285 tors. eta vs tors. theta energy: -130.291 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: 7, replica: 8 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1509.825751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.825751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.825751 (E_RNA) where: Base-Base interactions energy: -975.843 where: short stacking energy: -431.021 Base-Backbone interact. energy: -0.151 local terms energy: -533.831546 where: bonds (distance) C4'-P energy: -115.402 bonds (distance) P-C4' energy: -124.220 flat angles C4'-P-C4' energy: -120.446 flat angles P-C4'-P energy: -81.760 tors. eta vs tors. theta energy: -92.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1155.777705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.777705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.777705 (E_RNA) where: Base-Base interactions energy: -710.103 where: short stacking energy: -332.940 Base-Backbone interact. energy: 1.688 local terms energy: -447.362802 where: bonds (distance) C4'-P energy: -104.987 bonds (distance) P-C4' energy: -129.330 flat angles C4'-P-C4' energy: -112.721 flat angles P-C4'-P energy: -55.754 tors. eta vs tors. theta energy: -44.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1145.902012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.902012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.902012 (E_RNA) where: Base-Base interactions energy: -690.480 where: short stacking energy: -302.571 Base-Backbone interact. energy: -1.361 local terms energy: -454.061610 where: bonds (distance) C4'-P energy: -97.507 bonds (distance) P-C4' energy: -120.312 flat angles C4'-P-C4' energy: -125.867 flat angles P-C4'-P energy: -65.923 tors. eta vs tors. theta energy: -44.452 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: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -644.107623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.107623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.107623 (E_RNA) where: Base-Base interactions energy: -294.836 where: short stacking energy: -165.404 Base-Backbone interact. energy: 1.224 local terms energy: -350.495446 where: bonds (distance) C4'-P energy: -112.288 bonds (distance) P-C4' energy: -118.051 flat angles C4'-P-C4' energy: -99.012 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: 23.742 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: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2375.755638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.755638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.755638 (E_RNA) where: Base-Base interactions energy: -1621.736 where: short stacking energy: -696.506 Base-Backbone interact. energy: -4.814 local terms energy: -749.205964 where: bonds (distance) C4'-P energy: -143.411 bonds (distance) P-C4' energy: -142.620 flat angles C4'-P-C4' energy: -141.717 flat angles P-C4'-P energy: -105.477 tors. eta vs tors. theta energy: -215.981 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: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2324.698792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.698792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.698792 (E_RNA) where: Base-Base interactions energy: -1610.099 where: short stacking energy: -682.389 Base-Backbone interact. energy: -3.457 local terms energy: -711.142638 where: bonds (distance) C4'-P energy: -128.308 bonds (distance) P-C4' energy: -144.196 flat angles C4'-P-C4' energy: -157.369 flat angles P-C4'-P energy: -89.617 tors. eta vs tors. theta energy: -191.652 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: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2172.714328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.714328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.714328 (E_RNA) where: Base-Base interactions energy: -1507.157 where: short stacking energy: -611.503 Base-Backbone interact. energy: -3.157 local terms energy: -662.400388 where: bonds (distance) C4'-P energy: -109.509 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -159.222 flat angles P-C4'-P energy: -91.276 tors. eta vs tors. theta energy: -177.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2067.254220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.254220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.254220 (E_RNA) where: Base-Base interactions energy: -1426.168 where: short stacking energy: -589.495 Base-Backbone interact. energy: -1.609 local terms energy: -639.477537 where: bonds (distance) C4'-P energy: -109.872 bonds (distance) P-C4' energy: -118.874 flat angles C4'-P-C4' energy: -140.872 flat angles P-C4'-P energy: -96.496 tors. eta vs tors. theta energy: -173.363 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: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1948.563273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.563273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.563273 (E_RNA) where: Base-Base interactions energy: -1324.585 where: short stacking energy: -543.205 Base-Backbone interact. energy: -1.059 local terms energy: -622.918932 where: bonds (distance) C4'-P energy: -115.248 bonds (distance) P-C4' energy: -119.037 flat angles C4'-P-C4' energy: -138.336 flat angles P-C4'-P energy: -99.925 tors. eta vs tors. theta energy: -150.372 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: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1730.354575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.354575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.354575 (E_RNA) where: Base-Base interactions energy: -1180.589 where: short stacking energy: -492.212 Base-Backbone interact. energy: -0.413 local terms energy: -549.352424 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -118.189 flat angles C4'-P-C4' energy: -125.519 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -117.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1548.857811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.857811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.857811 (E_RNA) where: Base-Base interactions energy: -1005.565 where: short stacking energy: -443.186 Base-Backbone interact. energy: -4.307 local terms energy: -538.986747 where: bonds (distance) C4'-P energy: -124.837 bonds (distance) P-C4' energy: -124.199 flat angles C4'-P-C4' energy: -108.838 flat angles P-C4'-P energy: -80.650 tors. eta vs tors. theta energy: -100.463 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: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1164.872745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.872745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.872745 (E_RNA) where: Base-Base interactions energy: -726.852 where: short stacking energy: -319.491 Base-Backbone interact. energy: -0.571 local terms energy: -437.450089 where: bonds (distance) C4'-P energy: -97.584 bonds (distance) P-C4' energy: -120.748 flat angles C4'-P-C4' energy: -100.119 flat angles P-C4'-P energy: -78.195 tors. eta vs tors. theta energy: -40.804 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: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1112.123586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.123586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.123586 (E_RNA) where: Base-Base interactions energy: -651.777 where: short stacking energy: -290.570 Base-Backbone interact. energy: 7.057 local terms energy: -467.403821 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -122.910 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: -74.966 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: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -637.667830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.667830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.667830 (E_RNA) where: Base-Base interactions energy: -282.594 where: short stacking energy: -151.300 Base-Backbone interact. energy: -1.991 local terms energy: -353.082584 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -121.313 flat angles C4'-P-C4' energy: -93.554 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: 12.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2398.708982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.708982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.708982 (E_RNA) where: Base-Base interactions energy: -1642.439 where: short stacking energy: -736.680 Base-Backbone interact. energy: -4.058 local terms energy: -752.212559 where: bonds (distance) C4'-P energy: -131.195 bonds (distance) P-C4' energy: -130.970 flat angles C4'-P-C4' energy: -154.161 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -233.295 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: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2332.256484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.256484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.256484 (E_RNA) where: Base-Base interactions energy: -1625.597 where: short stacking energy: -683.001 Base-Backbone interact. energy: -3.772 local terms energy: -702.887251 where: bonds (distance) C4'-P energy: -119.084 bonds (distance) P-C4' energy: -128.471 flat angles C4'-P-C4' energy: -155.877 flat angles P-C4'-P energy: -99.724 tors. eta vs tors. theta energy: -199.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2183.879318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.879318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.879318 (E_RNA) where: Base-Base interactions energy: -1482.177 where: short stacking energy: -635.486 Base-Backbone interact. energy: -1.561 local terms energy: -700.141139 where: bonds (distance) C4'-P energy: -130.293 bonds (distance) P-C4' energy: -126.728 flat angles C4'-P-C4' energy: -148.123 flat angles P-C4'-P energy: -100.969 tors. eta vs tors. theta energy: -194.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2041.604244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.604244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.604244 (E_RNA) where: Base-Base interactions energy: -1396.542 where: short stacking energy: -580.248 Base-Backbone interact. energy: 2.077 local terms energy: -647.138611 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -118.857 flat angles C4'-P-C4' energy: -147.650 flat angles P-C4'-P energy: -94.370 tors. eta vs tors. theta energy: -166.906 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: 10 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1932.192853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.192853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.192853 (E_RNA) where: Base-Base interactions energy: -1299.376 where: short stacking energy: -551.686 Base-Backbone interact. energy: -2.200 local terms energy: -630.617657 where: bonds (distance) C4'-P energy: -110.779 bonds (distance) P-C4' energy: -126.829 flat angles C4'-P-C4' energy: -144.327 flat angles P-C4'-P energy: -90.383 tors. eta vs tors. theta energy: -158.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1706.987677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.987677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.987677 (E_RNA) where: Base-Base interactions energy: -1154.987 where: short stacking energy: -491.394 Base-Backbone interact. energy: -3.351 local terms energy: -548.650489 where: bonds (distance) C4'-P energy: -109.484 bonds (distance) P-C4' energy: -127.771 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -121.812 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: 301 Temperature: 1.200000 Total energy: -1528.598241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.598241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.598241 (E_RNA) where: Base-Base interactions energy: -994.982 where: short stacking energy: -437.813 Base-Backbone interact. energy: -1.746 local terms energy: -531.870148 where: bonds (distance) C4'-P energy: -114.877 bonds (distance) P-C4' energy: -122.521 flat angles C4'-P-C4' energy: -111.458 flat angles P-C4'-P energy: -89.813 tors. eta vs tors. theta energy: -93.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1179.667954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.667954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.667954 (E_RNA) where: Base-Base interactions energy: -749.626 where: short stacking energy: -346.986 Base-Backbone interact. energy: -3.112 local terms energy: -426.929819 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -117.093 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -53.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1128.682623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.682623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.682623 (E_RNA) where: Base-Base interactions energy: -704.137 where: short stacking energy: -333.748 Base-Backbone interact. energy: -2.574 local terms energy: -421.970759 where: bonds (distance) C4'-P energy: -106.518 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -110.165 flat angles P-C4'-P energy: -51.204 tors. eta vs tors. theta energy: -41.796 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: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -700.250621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.250621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.250621 (E_RNA) where: Base-Base interactions energy: -350.595 where: short stacking energy: -212.758 Base-Backbone interact. energy: -1.258 local terms energy: -348.397368 where: bonds (distance) C4'-P energy: -108.218 bonds (distance) P-C4' energy: -116.023 flat angles C4'-P-C4' energy: -93.810 flat angles P-C4'-P energy: -35.393 tors. eta vs tors. theta energy: 5.047 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: 302 Temperature: 0.900000 Total energy: -2339.142166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.142166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.142166 (E_RNA) where: Base-Base interactions energy: -1625.898 where: short stacking energy: -689.349 Base-Backbone interact. energy: 3.297 local terms energy: -716.541070 where: bonds (distance) C4'-P energy: -131.270 bonds (distance) P-C4' energy: -124.763 flat angles C4'-P-C4' energy: -162.074 flat angles P-C4'-P energy: -93.425 tors. eta vs tors. theta energy: -205.009 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: 2, replica: 2 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2325.848000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.848000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.848000 (E_RNA) where: Base-Base interactions energy: -1569.797 where: short stacking energy: -695.660 Base-Backbone interact. energy: -5.067 local terms energy: -750.983683 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -151.266 flat angles C4'-P-C4' energy: -153.282 flat angles P-C4'-P energy: -105.725 tors. eta vs tors. theta energy: -222.242 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: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2227.867942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.867942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.867942 (E_RNA) where: Base-Base interactions energy: -1562.231 where: short stacking energy: -658.181 Base-Backbone interact. energy: -3.243 local terms energy: -662.393704 where: bonds (distance) C4'-P energy: -115.109 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -150.181 flat angles P-C4'-P energy: -76.580 tors. eta vs tors. theta energy: -199.053 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: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2030.135829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.135829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.135829 (E_RNA) where: Base-Base interactions energy: -1379.875 where: short stacking energy: -566.182 Base-Backbone interact. energy: -4.862 local terms energy: -645.399602 where: bonds (distance) C4'-P energy: -107.489 bonds (distance) P-C4' energy: -139.068 flat angles C4'-P-C4' energy: -139.621 flat angles P-C4'-P energy: -96.567 tors. eta vs tors. theta energy: -162.654 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: 10 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1900.962627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.962627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.962627 (E_RNA) where: Base-Base interactions energy: -1291.429 where: short stacking energy: -541.235 Base-Backbone interact. energy: -4.224 local terms energy: -605.309245 where: bonds (distance) C4'-P energy: -111.703 bonds (distance) P-C4' energy: -116.279 flat angles C4'-P-C4' energy: -125.979 flat angles P-C4'-P energy: -86.787 tors. eta vs tors. theta energy: -164.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1746.575438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.575438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.575438 (E_RNA) where: Base-Base interactions energy: -1195.330 where: short stacking energy: -513.650 Base-Backbone interact. energy: -1.449 local terms energy: -549.796360 where: bonds (distance) C4'-P energy: -115.088 bonds (distance) P-C4' energy: -100.852 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -127.211 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: 7, replica: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1554.669315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.669315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.669315 (E_RNA) where: Base-Base interactions energy: -1039.349 where: short stacking energy: -427.559 Base-Backbone interact. energy: 2.221 local terms energy: -517.541348 where: bonds (distance) C4'-P energy: -98.800 bonds (distance) P-C4' energy: -114.648 flat angles C4'-P-C4' energy: -125.617 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: -104.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1178.984612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.984612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.984612 (E_RNA) where: Base-Base interactions energy: -717.285 where: short stacking energy: -324.095 Base-Backbone interact. energy: -1.764 local terms energy: -459.935405 where: bonds (distance) C4'-P energy: -124.836 bonds (distance) P-C4' energy: -121.980 flat angles C4'-P-C4' energy: -99.468 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: -45.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1125.083373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.083373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.083373 (E_RNA) where: Base-Base interactions energy: -690.108 where: short stacking energy: -323.965 Base-Backbone interact. energy: -3.412 local terms energy: -431.563445 where: bonds (distance) C4'-P energy: -104.445 bonds (distance) P-C4' energy: -109.535 flat angles C4'-P-C4' energy: -116.603 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -53.060 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: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -671.991826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.991826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.991826 (E_RNA) where: Base-Base interactions energy: -317.861 where: short stacking energy: -187.123 Base-Backbone interact. energy: -3.574 local terms energy: -350.557393 where: bonds (distance) C4'-P energy: -94.217 bonds (distance) P-C4' energy: -119.345 flat angles C4'-P-C4' energy: -97.042 flat angles P-C4'-P energy: -46.006 tors. eta vs tors. theta energy: 6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2395.835177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.835177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.835177 (E_RNA) where: Base-Base interactions energy: -1659.541 where: short stacking energy: -707.259 Base-Backbone interact. energy: -3.472 local terms energy: -732.822262 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -141.226 flat angles C4'-P-C4' energy: -146.688 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -203.652 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: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2347.344104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.344104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.344104 (E_RNA) where: Base-Base interactions energy: -1596.800 where: short stacking energy: -677.131 Base-Backbone interact. energy: -3.793 local terms energy: -746.750915 where: bonds (distance) C4'-P energy: -129.791 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -155.724 flat angles P-C4'-P energy: -107.683 tors. eta vs tors. theta energy: -212.097 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: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2233.897863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.897863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.897863 (E_RNA) where: Base-Base interactions energy: -1526.414 where: short stacking energy: -645.648 Base-Backbone interact. energy: -2.029 local terms energy: -705.454953 where: bonds (distance) C4'-P energy: -129.060 bonds (distance) P-C4' energy: -137.547 flat angles C4'-P-C4' energy: -151.866 flat angles P-C4'-P energy: -92.507 tors. eta vs tors. theta energy: -194.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2057.369646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.369646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.369646 (E_RNA) where: Base-Base interactions energy: -1400.630 where: short stacking energy: -580.539 Base-Backbone interact. energy: 2.856 local terms energy: -659.595796 where: bonds (distance) C4'-P energy: -126.836 bonds (distance) P-C4' energy: -123.607 flat angles C4'-P-C4' energy: -142.249 flat angles P-C4'-P energy: -96.675 tors. eta vs tors. theta energy: -170.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1890.493999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.493999 (E_RNA) where: Base-Base interactions energy: -1291.190 where: short stacking energy: -554.599 Base-Backbone interact. energy: -4.271 local terms energy: -595.032847 where: bonds (distance) C4'-P energy: -122.066 bonds (distance) P-C4' energy: -115.845 flat angles C4'-P-C4' energy: -142.247 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: -149.876 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1719.345374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.345374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.345374 (E_RNA) where: Base-Base interactions energy: -1158.562 where: short stacking energy: -520.604 Base-Backbone interact. energy: -1.169 local terms energy: -559.614657 where: bonds (distance) C4'-P energy: -100.894 bonds (distance) P-C4' energy: -113.361 flat angles C4'-P-C4' energy: -121.291 flat angles P-C4'-P energy: -87.536 tors. eta vs tors. theta energy: -136.533 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: 303 Temperature: 1.200000 Total energy: -1590.962423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.962423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.962423 (E_RNA) where: Base-Base interactions energy: -1059.174 where: short stacking energy: -466.103 Base-Backbone interact. energy: 0.030 local terms energy: -531.818280 where: bonds (distance) C4'-P energy: -120.497 bonds (distance) P-C4' energy: -121.748 flat angles C4'-P-C4' energy: -119.221 flat angles P-C4'-P energy: -66.308 tors. eta vs tors. theta energy: -104.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1250.669512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.669512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.669512 (E_RNA) where: Base-Base interactions energy: -784.588 where: short stacking energy: -350.860 Base-Backbone interact. energy: -4.494 local terms energy: -461.588155 where: bonds (distance) C4'-P energy: -127.139 bonds (distance) P-C4' energy: -106.918 flat angles C4'-P-C4' energy: -112.295 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -50.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1033.248025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.248025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.248025 (E_RNA) where: Base-Base interactions energy: -609.672 where: short stacking energy: -296.099 Base-Backbone interact. energy: 6.240 local terms energy: -429.817002 where: bonds (distance) C4'-P energy: -106.007 bonds (distance) P-C4' energy: -120.848 flat angles C4'-P-C4' energy: -77.029 flat angles P-C4'-P energy: -71.608 tors. eta vs tors. theta energy: -54.325 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -762.170062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.170062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.170062 (E_RNA) where: Base-Base interactions energy: -397.706 where: short stacking energy: -240.422 Base-Backbone interact. energy: -0.643 local terms energy: -363.821679 where: bonds (distance) C4'-P energy: -109.027 bonds (distance) P-C4' energy: -109.628 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -51.327 tors. eta vs tors. theta energy: -13.981 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: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2352.390183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.390183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.390183 (E_RNA) where: Base-Base interactions energy: -1627.236 where: short stacking energy: -685.563 Base-Backbone interact. energy: 0.148 local terms energy: -725.302594 where: bonds (distance) C4'-P energy: -123.328 bonds (distance) P-C4' energy: -139.883 flat angles C4'-P-C4' energy: -151.559 flat angles P-C4'-P energy: -104.484 tors. eta vs tors. theta energy: -206.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2275.421479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.421479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.421479 (E_RNA) where: Base-Base interactions energy: -1556.161 where: short stacking energy: -671.191 Base-Backbone interact. energy: -1.442 local terms energy: -717.818400 where: bonds (distance) C4'-P energy: -117.441 bonds (distance) P-C4' energy: -142.005 flat angles C4'-P-C4' energy: -156.170 flat angles P-C4'-P energy: -92.343 tors. eta vs tors. theta energy: -209.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2209.596618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.596618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.596618 (E_RNA) where: Base-Base interactions energy: -1538.810 where: short stacking energy: -646.193 Base-Backbone interact. energy: -0.611 local terms energy: -670.175799 where: bonds (distance) C4'-P energy: -125.726 bonds (distance) P-C4' energy: -128.844 flat angles C4'-P-C4' energy: -134.524 flat angles P-C4'-P energy: -80.269 tors. eta vs tors. theta energy: -200.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2027.095381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.095381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.095381 (E_RNA) where: Base-Base interactions energy: -1388.879 where: short stacking energy: -563.736 Base-Backbone interact. energy: -1.135 local terms energy: -637.081313 where: bonds (distance) C4'-P energy: -122.108 bonds (distance) P-C4' energy: -113.698 flat angles C4'-P-C4' energy: -140.735 flat angles P-C4'-P energy: -98.040 tors. eta vs tors. theta energy: -162.500 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: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1909.733285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.733285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.733285 (E_RNA) where: Base-Base interactions energy: -1293.852 where: short stacking energy: -543.449 Base-Backbone interact. energy: -1.714 local terms energy: -614.166469 where: bonds (distance) C4'-P energy: -125.053 bonds (distance) P-C4' energy: -126.148 flat angles C4'-P-C4' energy: -131.959 flat angles P-C4'-P energy: -80.938 tors. eta vs tors. theta energy: -150.069 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: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1644.075848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.075848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.075848 (E_RNA) where: Base-Base interactions energy: -1093.947 where: short stacking energy: -478.423 Base-Backbone interact. energy: -2.807 local terms energy: -547.321757 where: bonds (distance) C4'-P energy: -103.274 bonds (distance) P-C4' energy: -112.150 flat angles C4'-P-C4' energy: -127.749 flat angles P-C4'-P energy: -78.424 tors. eta vs tors. theta energy: -125.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1644.124795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.124795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.124795 (E_RNA) where: Base-Base interactions energy: -1097.268 where: short stacking energy: -466.998 Base-Backbone interact. energy: -1.427 local terms energy: -545.429705 where: bonds (distance) C4'-P energy: -124.459 bonds (distance) P-C4' energy: -119.526 flat angles C4'-P-C4' energy: -122.227 flat angles P-C4'-P energy: -60.679 tors. eta vs tors. theta energy: -118.539 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: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1215.499058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.499058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.499058 (E_RNA) where: Base-Base interactions energy: -759.208 where: short stacking energy: -361.640 Base-Backbone interact. energy: -1.502 local terms energy: -454.788881 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -102.577 flat angles P-C4'-P energy: -73.646 tors. eta vs tors. theta energy: -50.981 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: 6 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1048.838546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.838546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.838546 (E_RNA) where: Base-Base interactions energy: -601.425 where: short stacking energy: -283.786 Base-Backbone interact. energy: 2.105 local terms energy: -449.517994 where: bonds (distance) C4'-P energy: -110.227 bonds (distance) P-C4' energy: -111.155 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -46.794 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: 4 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -756.031069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.031069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.031069 (E_RNA) where: Base-Base interactions energy: -387.083 where: short stacking energy: -221.102 Base-Backbone interact. energy: -0.009 local terms energy: -368.938591 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -105.915 flat angles C4'-P-C4' energy: -83.229 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: -13.336 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: 1, replica: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2356.758561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.758561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.758561 (E_RNA) where: Base-Base interactions energy: -1621.939 where: short stacking energy: -710.796 Base-Backbone interact. energy: 0.355 local terms energy: -735.175026 where: bonds (distance) C4'-P energy: -131.272 bonds (distance) P-C4' energy: -126.888 flat angles C4'-P-C4' energy: -156.115 flat angles P-C4'-P energy: -112.365 tors. eta vs tors. theta energy: -208.535 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: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2335.527244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.527244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.527244 (E_RNA) where: Base-Base interactions energy: -1577.120 where: short stacking energy: -665.781 Base-Backbone interact. energy: -4.330 local terms energy: -754.077654 where: bonds (distance) C4'-P energy: -139.015 bonds (distance) P-C4' energy: -141.263 flat angles C4'-P-C4' energy: -155.863 flat angles P-C4'-P energy: -109.186 tors. eta vs tors. theta energy: -208.751 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: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2200.149258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.149258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.149258 (E_RNA) where: Base-Base interactions energy: -1504.245 where: short stacking energy: -645.662 Base-Backbone interact. energy: -2.798 local terms energy: -693.106496 where: bonds (distance) C4'-P energy: -128.360 bonds (distance) P-C4' energy: -137.502 flat angles C4'-P-C4' energy: -150.943 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -197.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2020.357777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.357777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.357777 (E_RNA) where: Base-Base interactions energy: -1371.642 where: short stacking energy: -548.135 Base-Backbone interact. energy: -2.065 local terms energy: -646.650036 where: bonds (distance) C4'-P energy: -116.837 bonds (distance) P-C4' energy: -137.496 flat angles C4'-P-C4' energy: -150.250 flat angles P-C4'-P energy: -84.470 tors. eta vs tors. theta energy: -157.597 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: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1910.228944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.228944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.228944 (E_RNA) where: Base-Base interactions energy: -1293.933 where: short stacking energy: -562.400 Base-Backbone interact. energy: -0.290 local terms energy: -616.006389 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -123.070 flat angles C4'-P-C4' energy: -134.307 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -160.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1687.726084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.726084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.726084 (E_RNA) where: Base-Base interactions energy: -1121.182 where: short stacking energy: -475.935 Base-Backbone interact. energy: -2.517 local terms energy: -564.027106 where: bonds (distance) C4'-P energy: -127.029 bonds (distance) P-C4' energy: -124.937 flat angles C4'-P-C4' energy: -120.913 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -111.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1571.078239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.078239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.078239 (E_RNA) where: Base-Base interactions energy: -1027.185 where: short stacking energy: -479.934 Base-Backbone interact. energy: -5.357 local terms energy: -538.536299 where: bonds (distance) C4'-P energy: -112.985 bonds (distance) P-C4' energy: -107.271 flat angles C4'-P-C4' energy: -123.390 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -121.521 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: 8, replica: 9 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1232.827877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.827877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.827877 (E_RNA) where: Base-Base interactions energy: -783.677 where: short stacking energy: -345.499 Base-Backbone interact. energy: 0.829 local terms energy: -449.979936 where: bonds (distance) C4'-P energy: -110.631 bonds (distance) P-C4' energy: -119.473 flat angles C4'-P-C4' energy: -93.101 flat angles P-C4'-P energy: -51.212 tors. eta vs tors. theta energy: -75.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -982.140235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.140235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.140235 (E_RNA) where: Base-Base interactions energy: -558.701 where: short stacking energy: -307.116 Base-Backbone interact. energy: 1.694 local terms energy: -425.133509 where: bonds (distance) C4'-P energy: -101.166 bonds (distance) P-C4' energy: -105.351 flat angles C4'-P-C4' energy: -96.993 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -58.618 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: 4 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -757.143017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.143017 (E_RNA) where: Base-Base interactions energy: -403.114 where: short stacking energy: -215.632 Base-Backbone interact. energy: -1.171 local terms energy: -352.858388 where: bonds (distance) C4'-P energy: -98.713 bonds (distance) P-C4' energy: -114.147 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -44.815 tors. eta vs tors. theta energy: -13.278 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: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2378.743274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.743274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.743274 (E_RNA) where: Base-Base interactions energy: -1682.847 where: short stacking energy: -709.687 Base-Backbone interact. energy: -2.577 local terms energy: -693.318705 where: bonds (distance) C4'-P energy: -119.840 bonds (distance) P-C4' energy: -134.699 flat angles C4'-P-C4' energy: -145.567 flat angles P-C4'-P energy: -88.850 tors. eta vs tors. theta energy: -204.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2313.702924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.702924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.702924 (E_RNA) where: Base-Base interactions energy: -1587.917 where: short stacking energy: -679.595 Base-Backbone interact. energy: -2.042 local terms energy: -723.744062 where: bonds (distance) C4'-P energy: -131.320 bonds (distance) P-C4' energy: -135.852 flat angles C4'-P-C4' energy: -145.884 flat angles P-C4'-P energy: -95.202 tors. eta vs tors. theta energy: -215.485 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: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2218.333446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.333446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.333446 (E_RNA) where: Base-Base interactions energy: -1520.919 where: short stacking energy: -630.164 Base-Backbone interact. energy: -3.028 local terms energy: -694.387017 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -121.693 flat angles C4'-P-C4' energy: -142.201 flat angles P-C4'-P energy: -113.182 tors. eta vs tors. theta energy: -196.995 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: 4, replica: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2034.567225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.567225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.567225 (E_RNA) where: Base-Base interactions energy: -1383.679 where: short stacking energy: -589.174 Base-Backbone interact. energy: 1.827 local terms energy: -652.714753 where: bonds (distance) C4'-P energy: -122.152 bonds (distance) P-C4' energy: -132.240 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -83.909 tors. eta vs tors. theta energy: -178.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1934.027202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.027202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.027202 (E_RNA) where: Base-Base interactions energy: -1324.301 where: short stacking energy: -569.734 Base-Backbone interact. energy: -1.987 local terms energy: -607.739280 where: bonds (distance) C4'-P energy: -112.016 bonds (distance) P-C4' energy: -110.846 flat angles C4'-P-C4' energy: -139.103 flat angles P-C4'-P energy: -85.813 tors. eta vs tors. theta energy: -159.962 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: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1617.767179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.767179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.767179 (E_RNA) where: Base-Base interactions energy: -1081.847 where: short stacking energy: -442.471 Base-Backbone interact. energy: -4.355 local terms energy: -531.565734 where: bonds (distance) C4'-P energy: -86.407 bonds (distance) P-C4' energy: -118.169 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -88.235 tors. eta vs tors. theta energy: -115.066 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: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1595.150040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.150040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.150040 (E_RNA) where: Base-Base interactions energy: -1029.685 where: short stacking energy: -453.558 Base-Backbone interact. energy: -3.982 local terms energy: -561.482928 where: bonds (distance) C4'-P energy: -104.467 bonds (distance) P-C4' energy: -128.524 flat angles C4'-P-C4' energy: -120.972 flat angles P-C4'-P energy: -88.816 tors. eta vs tors. theta energy: -118.703 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: 8, replica: 9 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1218.098926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.098926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.098926 (E_RNA) where: Base-Base interactions energy: -763.041 where: short stacking energy: -345.028 Base-Backbone interact. energy: -0.343 local terms energy: -454.714291 where: bonds (distance) C4'-P energy: -104.533 bonds (distance) P-C4' energy: -100.070 flat angles C4'-P-C4' energy: -133.330 flat angles P-C4'-P energy: -68.303 tors. eta vs tors. theta energy: -48.478 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: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1023.995111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.995111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.995111 (E_RNA) where: Base-Base interactions energy: -609.228 where: short stacking energy: -309.689 Base-Backbone interact. energy: -2.708 local terms energy: -412.058423 where: bonds (distance) C4'-P energy: -95.038 bonds (distance) P-C4' energy: -109.081 flat angles C4'-P-C4' energy: -103.531 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -36.337 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: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -672.291443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.291443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.291443 (E_RNA) where: Base-Base interactions energy: -319.466 where: short stacking energy: -200.248 Base-Backbone interact. energy: -0.226 local terms energy: -352.599409 where: bonds (distance) C4'-P energy: -104.155 bonds (distance) P-C4' energy: -115.166 flat angles C4'-P-C4' energy: -85.261 flat angles P-C4'-P energy: -38.243 tors. eta vs tors. theta energy: -9.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2389.184792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.184792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.184792 (E_RNA) where: Base-Base interactions energy: -1660.438 where: short stacking energy: -700.041 Base-Backbone interact. energy: 2.557 local terms energy: -731.303508 where: bonds (distance) C4'-P energy: -139.470 bonds (distance) P-C4' energy: -137.930 flat angles C4'-P-C4' energy: -142.478 flat angles P-C4'-P energy: -99.023 tors. eta vs tors. theta energy: -212.402 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: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2314.472585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.472585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.472585 (E_RNA) where: Base-Base interactions energy: -1578.195 where: short stacking energy: -676.137 Base-Backbone interact. energy: -1.268 local terms energy: -735.009360 where: bonds (distance) C4'-P energy: -142.038 bonds (distance) P-C4' energy: -124.478 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -106.176 tors. eta vs tors. theta energy: -201.334 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: 307 Temperature: 1.000000 Total energy: -2220.683583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.683583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.683583 (E_RNA) where: Base-Base interactions energy: -1551.826 where: short stacking energy: -640.930 Base-Backbone interact. energy: -2.053 local terms energy: -666.804587 where: bonds (distance) C4'-P energy: -119.214 bonds (distance) P-C4' energy: -133.250 flat angles C4'-P-C4' energy: -146.572 flat angles P-C4'-P energy: -74.970 tors. eta vs tors. theta energy: -192.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2018.428912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.428912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.428912 (E_RNA) where: Base-Base interactions energy: -1377.360 where: short stacking energy: -579.012 Base-Backbone interact. energy: -1.546 local terms energy: -639.522979 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -117.731 flat angles C4'-P-C4' energy: -143.833 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -164.525 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: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1941.472597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.472597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.472597 (E_RNA) where: Base-Base interactions energy: -1311.441 where: short stacking energy: -561.969 Base-Backbone interact. energy: -4.072 local terms energy: -625.958908 where: bonds (distance) C4'-P energy: -114.189 bonds (distance) P-C4' energy: -126.318 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -87.927 tors. eta vs tors. theta energy: -162.066 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: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1633.477815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.477815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.477815 (E_RNA) where: Base-Base interactions energy: -1058.270 where: short stacking energy: -464.761 Base-Backbone interact. energy: -0.203 local terms energy: -575.004644 where: bonds (distance) C4'-P energy: -124.388 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -123.095 flat angles P-C4'-P energy: -86.908 tors. eta vs tors. theta energy: -121.208 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: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1534.780553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.780553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.780553 (E_RNA) where: Base-Base interactions energy: -1000.240 where: short stacking energy: -446.190 Base-Backbone interact. energy: -3.346 local terms energy: -531.194585 where: bonds (distance) C4'-P energy: -108.574 bonds (distance) P-C4' energy: -124.748 flat angles C4'-P-C4' energy: -116.144 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -119.455 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: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1222.867801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.867801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.867801 (E_RNA) where: Base-Base interactions energy: -752.817 where: short stacking energy: -364.808 Base-Backbone interact. energy: -2.678 local terms energy: -467.372931 where: bonds (distance) C4'-P energy: -99.514 bonds (distance) P-C4' energy: -118.877 flat angles C4'-P-C4' energy: -123.762 flat angles P-C4'-P energy: -64.589 tors. eta vs tors. theta energy: -60.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1054.887839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.887839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.887839 (E_RNA) where: Base-Base interactions energy: -631.768 where: short stacking energy: -282.699 Base-Backbone interact. energy: 1.783 local terms energy: -424.902154 where: bonds (distance) C4'-P energy: -102.073 bonds (distance) P-C4' energy: -121.601 flat angles C4'-P-C4' energy: -98.537 flat angles P-C4'-P energy: -68.497 tors. eta vs tors. theta energy: -34.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -587.523408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.523408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.523408 (E_RNA) where: Base-Base interactions energy: -246.256 where: short stacking energy: -161.223 Base-Backbone interact. energy: 6.558 local terms energy: -347.825066 where: bonds (distance) C4'-P energy: -115.771 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -90.539 flat angles P-C4'-P energy: -45.710 tors. eta vs tors. theta energy: 29.065 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: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2369.468708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.468708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.468708 (E_RNA) where: Base-Base interactions energy: -1656.626 where: short stacking energy: -719.860 Base-Backbone interact. energy: -2.651 local terms energy: -710.191486 where: bonds (distance) C4'-P energy: -115.790 bonds (distance) P-C4' energy: -119.394 flat angles C4'-P-C4' energy: -154.306 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -215.076 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: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2299.617020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.617020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.617020 (E_RNA) where: Base-Base interactions energy: -1595.695 where: short stacking energy: -694.853 Base-Backbone interact. energy: -0.086 local terms energy: -703.835768 where: bonds (distance) C4'-P energy: -128.815 bonds (distance) P-C4' energy: -120.935 flat angles C4'-P-C4' energy: -151.643 flat angles P-C4'-P energy: -95.924 tors. eta vs tors. theta energy: -206.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2186.906744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.906744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.906744 (E_RNA) where: Base-Base interactions energy: -1502.798 where: short stacking energy: -641.563 Base-Backbone interact. energy: -0.811 local terms energy: -683.297808 where: bonds (distance) C4'-P energy: -120.464 bonds (distance) P-C4' energy: -128.170 flat angles C4'-P-C4' energy: -145.797 flat angles P-C4'-P energy: -101.829 tors. eta vs tors. theta energy: -187.038 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: 3 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1979.220409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.220409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.220409 (E_RNA) where: Base-Base interactions energy: -1314.675 where: short stacking energy: -571.617 Base-Backbone interact. energy: -4.671 local terms energy: -659.874623 where: bonds (distance) C4'-P energy: -117.932 bonds (distance) P-C4' energy: -129.934 flat angles C4'-P-C4' energy: -141.466 flat angles P-C4'-P energy: -95.682 tors. eta vs tors. theta energy: -174.861 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: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1924.632717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.632717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.632717 (E_RNA) where: Base-Base interactions energy: -1320.115 where: short stacking energy: -551.308 Base-Backbone interact. energy: 3.902 local terms energy: -608.420419 where: bonds (distance) C4'-P energy: -111.728 bonds (distance) P-C4' energy: -101.970 flat angles C4'-P-C4' energy: -142.827 flat angles P-C4'-P energy: -96.230 tors. eta vs tors. theta energy: -155.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1625.708986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.708986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.708986 (E_RNA) where: Base-Base interactions energy: -1090.013 where: short stacking energy: -457.254 Base-Backbone interact. energy: 7.681 local terms energy: -543.377127 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -120.178 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -105.406 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: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1581.124524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.124524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.124524 (E_RNA) where: Base-Base interactions energy: -1036.712 where: short stacking energy: -480.807 Base-Backbone interact. energy: -0.156 local terms energy: -544.256756 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -120.806 flat angles C4'-P-C4' energy: -118.618 flat angles P-C4'-P energy: -72.431 tors. eta vs tors. theta energy: -118.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1271.932746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.932746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.932746 (E_RNA) where: Base-Base interactions energy: -796.167 where: short stacking energy: -390.206 Base-Backbone interact. energy: -2.392 local terms energy: -473.373434 where: bonds (distance) C4'-P energy: -111.805 bonds (distance) P-C4' energy: -102.735 flat angles C4'-P-C4' energy: -112.217 flat angles P-C4'-P energy: -74.318 tors. eta vs tors. theta energy: -72.298 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: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1074.709498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.709498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.709498 (E_RNA) where: Base-Base interactions energy: -636.453 where: short stacking energy: -306.552 Base-Backbone interact. energy: 9.053 local terms energy: -447.309627 where: bonds (distance) C4'-P energy: -121.523 bonds (distance) P-C4' energy: -116.461 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -36.069 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: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -595.940435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.940435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.940435 (E_RNA) where: Base-Base interactions energy: -267.144 where: short stacking energy: -180.003 Base-Backbone interact. energy: -1.367 local terms energy: -327.430047 where: bonds (distance) C4'-P energy: -94.814 bonds (distance) P-C4' energy: -90.898 flat angles C4'-P-C4' energy: -95.603 flat angles P-C4'-P energy: -61.901 tors. eta vs tors. theta energy: 15.787 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: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2382.332643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.332643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.332643 (E_RNA) where: Base-Base interactions energy: -1642.720 where: short stacking energy: -709.380 Base-Backbone interact. energy: -3.639 local terms energy: -735.973937 where: bonds (distance) C4'-P energy: -129.383 bonds (distance) P-C4' energy: -135.088 flat angles C4'-P-C4' energy: -163.870 flat angles P-C4'-P energy: -95.638 tors. eta vs tors. theta energy: -211.994 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: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2290.719169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.719169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.719169 (E_RNA) where: Base-Base interactions energy: -1576.736 where: short stacking energy: -669.840 Base-Backbone interact. energy: -2.013 local terms energy: -711.969629 where: bonds (distance) C4'-P energy: -110.407 bonds (distance) P-C4' energy: -130.593 flat angles C4'-P-C4' energy: -152.572 flat angles P-C4'-P energy: -108.305 tors. eta vs tors. theta energy: -210.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2207.670971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.670971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.670971 (E_RNA) where: Base-Base interactions energy: -1556.174 where: short stacking energy: -652.121 Base-Backbone interact. energy: 0.401 local terms energy: -651.898312 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -119.391 flat angles C4'-P-C4' energy: -134.253 flat angles P-C4'-P energy: -100.609 tors. eta vs tors. theta energy: -180.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2047.297543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.297543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.297543 (E_RNA) where: Base-Base interactions energy: -1431.016 where: short stacking energy: -603.217 Base-Backbone interact. energy: -1.567 local terms energy: -614.715039 where: bonds (distance) C4'-P energy: -118.944 bonds (distance) P-C4' energy: -104.947 flat angles C4'-P-C4' energy: -128.384 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -167.702 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: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1887.104669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.104669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.104669 (E_RNA) where: Base-Base interactions energy: -1287.080 where: short stacking energy: -539.049 Base-Backbone interact. energy: 1.814 local terms energy: -601.838794 where: bonds (distance) C4'-P energy: -104.589 bonds (distance) P-C4' energy: -121.517 flat angles C4'-P-C4' energy: -142.731 flat angles P-C4'-P energy: -76.014 tors. eta vs tors. theta energy: -156.988 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: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1617.838965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.838965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.838965 (E_RNA) where: Base-Base interactions energy: -1065.091 where: short stacking energy: -467.839 Base-Backbone interact. energy: -2.270 local terms energy: -550.478709 where: bonds (distance) C4'-P energy: -96.708 bonds (distance) P-C4' energy: -128.377 flat angles C4'-P-C4' energy: -123.890 flat angles P-C4'-P energy: -82.641 tors. eta vs tors. theta energy: -118.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1570.954479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.954479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.954479 (E_RNA) where: Base-Base interactions energy: -1036.486 where: short stacking energy: -470.953 Base-Backbone interact. energy: -1.588 local terms energy: -532.880748 where: bonds (distance) C4'-P energy: -110.969 bonds (distance) P-C4' energy: -122.605 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -109.002 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: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1213.145929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.145929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.145929 (E_RNA) where: Base-Base interactions energy: -727.948 where: short stacking energy: -339.085 Base-Backbone interact. energy: -0.207 local terms energy: -484.991324 where: bonds (distance) C4'-P energy: -100.955 bonds (distance) P-C4' energy: -117.983 flat angles C4'-P-C4' energy: -123.530 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -69.307 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: 6 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1105.896865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.896865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.896865 (E_RNA) where: Base-Base interactions energy: -672.181 where: short stacking energy: -296.096 Base-Backbone interact. energy: 0.239 local terms energy: -433.954246 where: bonds (distance) C4'-P energy: -99.777 bonds (distance) P-C4' energy: -116.057 flat angles C4'-P-C4' energy: -104.344 flat angles P-C4'-P energy: -64.517 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: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -654.677941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.677941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.677941 (E_RNA) where: Base-Base interactions energy: -308.948 where: short stacking energy: -184.830 Base-Backbone interact. energy: 4.395 local terms energy: -350.124852 where: bonds (distance) C4'-P energy: -94.847 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -103.159 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: 11.021 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: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2402.953663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.953663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.953663 (E_RNA) where: Base-Base interactions energy: -1658.978 where: short stacking energy: -692.677 Base-Backbone interact. energy: 0.435 local terms energy: -744.410367 where: bonds (distance) C4'-P energy: -133.037 bonds (distance) P-C4' energy: -141.903 flat angles C4'-P-C4' energy: -158.046 flat angles P-C4'-P energy: -101.059 tors. eta vs tors. theta energy: -210.366 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: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2313.487232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.487232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.487232 (E_RNA) where: Base-Base interactions energy: -1595.512 where: short stacking energy: -691.183 Base-Backbone interact. energy: -1.493 local terms energy: -716.482873 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -131.944 flat angles C4'-P-C4' energy: -141.752 flat angles P-C4'-P energy: -112.540 tors. eta vs tors. theta energy: -202.364 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: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2229.706761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.706761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.706761 (E_RNA) where: Base-Base interactions energy: -1547.896 where: short stacking energy: -644.980 Base-Backbone interact. energy: -3.217 local terms energy: -678.593194 where: bonds (distance) C4'-P energy: -132.262 bonds (distance) P-C4' energy: -109.912 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -94.427 tors. eta vs tors. theta energy: -186.884 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: 310 Temperature: 1.050000 Total energy: -2070.361017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.361017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.361017 (E_RNA) where: Base-Base interactions energy: -1410.159 where: short stacking energy: -590.810 Base-Backbone interact. energy: -1.792 local terms energy: -658.409222 where: bonds (distance) C4'-P energy: -120.456 bonds (distance) P-C4' energy: -127.771 flat angles C4'-P-C4' energy: -141.248 flat angles P-C4'-P energy: -90.973 tors. eta vs tors. theta energy: -177.961 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: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1902.421591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.421591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.421591 (E_RNA) where: Base-Base interactions energy: -1287.595 where: short stacking energy: -528.438 Base-Backbone interact. energy: -1.499 local terms energy: -613.328106 where: bonds (distance) C4'-P energy: -105.866 bonds (distance) P-C4' energy: -121.519 flat angles C4'-P-C4' energy: -138.843 flat angles P-C4'-P energy: -92.132 tors. eta vs tors. theta energy: -154.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1610.442763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.442763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.442763 (E_RNA) where: Base-Base interactions energy: -1046.123 where: short stacking energy: -468.891 Base-Backbone interact. energy: 4.662 local terms energy: -568.981534 where: bonds (distance) C4'-P energy: -123.488 bonds (distance) P-C4' energy: -119.719 flat angles C4'-P-C4' energy: -127.326 flat angles P-C4'-P energy: -70.148 tors. eta vs tors. theta energy: -128.301 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: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1591.584381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.584381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.584381 (E_RNA) where: Base-Base interactions energy: -1067.082 where: short stacking energy: -442.525 Base-Backbone interact. energy: 0.653 local terms energy: -525.155600 where: bonds (distance) C4'-P energy: -101.765 bonds (distance) P-C4' energy: -101.561 flat angles C4'-P-C4' energy: -131.542 flat angles P-C4'-P energy: -79.078 tors. eta vs tors. theta energy: -111.210 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: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1149.326806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.326806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.326806 (E_RNA) where: Base-Base interactions energy: -686.876 where: short stacking energy: -328.924 Base-Backbone interact. energy: -2.879 local terms energy: -459.571360 where: bonds (distance) C4'-P energy: -101.681 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -101.589 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -49.753 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: 9, replica: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1077.750486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.750486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.750486 (E_RNA) where: Base-Base interactions energy: -667.283 where: short stacking energy: -290.620 Base-Backbone interact. energy: -0.518 local terms energy: -409.950323 where: bonds (distance) C4'-P energy: -104.063 bonds (distance) P-C4' energy: -108.325 flat angles C4'-P-C4' energy: -91.401 flat angles P-C4'-P energy: -59.921 tors. eta vs tors. theta energy: -46.241 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: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -644.476816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.476816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.476816 (E_RNA) where: Base-Base interactions energy: -325.041 where: short stacking energy: -172.469 Base-Backbone interact. energy: -3.790 local terms energy: -315.645766 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -83.559 flat angles C4'-P-C4' energy: -88.967 flat angles P-C4'-P energy: -39.014 tors. eta vs tors. theta energy: 8.134 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: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2386.768463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.768463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.768463 (E_RNA) where: Base-Base interactions energy: -1652.436 where: short stacking energy: -704.261 Base-Backbone interact. energy: -2.470 local terms energy: -731.863036 where: bonds (distance) C4'-P energy: -138.270 bonds (distance) P-C4' energy: -141.512 flat angles C4'-P-C4' energy: -149.690 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -208.578 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: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2336.080868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.080868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.080868 (E_RNA) where: Base-Base interactions energy: -1609.385 where: short stacking energy: -695.485 Base-Backbone interact. energy: -0.652 local terms energy: -726.043478 where: bonds (distance) C4'-P energy: -135.451 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -143.588 flat angles P-C4'-P energy: -117.837 tors. eta vs tors. theta energy: -209.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2230.726191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.726191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.726191 (E_RNA) where: Base-Base interactions energy: -1542.834 where: short stacking energy: -658.630 Base-Backbone interact. energy: -3.083 local terms energy: -684.809513 where: bonds (distance) C4'-P energy: -128.629 bonds (distance) P-C4' energy: -133.522 flat angles C4'-P-C4' energy: -138.205 flat angles P-C4'-P energy: -94.213 tors. eta vs tors. theta energy: -190.240 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: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2040.017447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.017447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.017447 (E_RNA) where: Base-Base interactions energy: -1395.348 where: short stacking energy: -604.901 Base-Backbone interact. energy: -1.554 local terms energy: -643.115741 where: bonds (distance) C4'-P energy: -109.589 bonds (distance) P-C4' energy: -115.845 flat angles C4'-P-C4' energy: -141.810 flat angles P-C4'-P energy: -85.336 tors. eta vs tors. theta energy: -190.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1904.907558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.907558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.907558 (E_RNA) where: Base-Base interactions energy: -1304.828 where: short stacking energy: -554.909 Base-Backbone interact. energy: -2.047 local terms energy: -598.032490 where: bonds (distance) C4'-P energy: -114.450 bonds (distance) P-C4' energy: -115.359 flat angles C4'-P-C4' energy: -137.501 flat angles P-C4'-P energy: -65.318 tors. eta vs tors. theta energy: -165.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1701.887913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.887913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.887913 (E_RNA) where: Base-Base interactions energy: -1149.533 where: short stacking energy: -473.974 Base-Backbone interact. energy: -5.032 local terms energy: -547.323622 where: bonds (distance) C4'-P energy: -101.745 bonds (distance) P-C4' energy: -127.453 flat angles C4'-P-C4' energy: -114.082 flat angles P-C4'-P energy: -84.829 tors. eta vs tors. theta energy: -119.215 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: 8 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1569.266997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.266997 (E_RNA) where: Base-Base interactions energy: -1031.526 where: short stacking energy: -448.209 Base-Backbone interact. energy: -0.820 local terms energy: -536.921142 where: bonds (distance) C4'-P energy: -105.059 bonds (distance) P-C4' energy: -133.274 flat angles C4'-P-C4' energy: -121.298 flat angles P-C4'-P energy: -60.719 tors. eta vs tors. theta energy: -116.571 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: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1262.518441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.518441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.518441 (E_RNA) where: Base-Base interactions energy: -744.101 where: short stacking energy: -350.738 Base-Backbone interact. energy: -1.215 local terms energy: -517.201946 where: bonds (distance) C4'-P energy: -117.497 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -109.588 flat angles P-C4'-P energy: -84.123 tors. eta vs tors. theta energy: -75.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1099.041766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.041766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.041766 (E_RNA) where: Base-Base interactions energy: -635.725 where: short stacking energy: -316.639 Base-Backbone interact. energy: -2.074 local terms energy: -461.242255 where: bonds (distance) C4'-P energy: -104.956 bonds (distance) P-C4' energy: -113.492 flat angles C4'-P-C4' energy: -106.397 flat angles P-C4'-P energy: -63.114 tors. eta vs tors. theta energy: -73.284 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: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -662.201580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.201580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.201580 (E_RNA) where: Base-Base interactions energy: -323.201 where: short stacking energy: -193.776 Base-Backbone interact. energy: 0.892 local terms energy: -339.893306 where: bonds (distance) C4'-P energy: -106.171 bonds (distance) P-C4' energy: -94.228 flat angles C4'-P-C4' energy: -98.514 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: 11.540 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: 1, replica: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2373.007712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.007712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.007712 (E_RNA) where: Base-Base interactions energy: -1665.624 where: short stacking energy: -708.509 Base-Backbone interact. energy: -3.681 local terms energy: -703.703532 where: bonds (distance) C4'-P energy: -123.310 bonds (distance) P-C4' energy: -128.134 flat angles C4'-P-C4' energy: -149.709 flat angles P-C4'-P energy: -94.670 tors. eta vs tors. theta energy: -207.880 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: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2342.358186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.358186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.358186 (E_RNA) where: Base-Base interactions energy: -1617.370 where: short stacking energy: -684.635 Base-Backbone interact. energy: -2.874 local terms energy: -722.113645 where: bonds (distance) C4'-P energy: -135.816 bonds (distance) P-C4' energy: -134.151 flat angles C4'-P-C4' energy: -146.976 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -210.556 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: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2222.724539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.724539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.724539 (E_RNA) where: Base-Base interactions energy: -1516.695 where: short stacking energy: -665.273 Base-Backbone interact. energy: -1.346 local terms energy: -704.683924 where: bonds (distance) C4'-P energy: -133.495 bonds (distance) P-C4' energy: -127.341 flat angles C4'-P-C4' energy: -147.998 flat angles P-C4'-P energy: -101.821 tors. eta vs tors. theta energy: -194.030 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: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2051.190966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.190966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.190966 (E_RNA) where: Base-Base interactions energy: -1399.658 where: short stacking energy: -609.887 Base-Backbone interact. energy: 1.923 local terms energy: -653.456810 where: bonds (distance) C4'-P energy: -125.779 bonds (distance) P-C4' energy: -117.905 flat angles C4'-P-C4' energy: -145.836 flat angles P-C4'-P energy: -91.624 tors. eta vs tors. theta energy: -172.313 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: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1911.347861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.347861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.347861 (E_RNA) where: Base-Base interactions energy: -1285.625 where: short stacking energy: -512.067 Base-Backbone interact. energy: -5.271 local terms energy: -620.451931 where: bonds (distance) C4'-P energy: -107.062 bonds (distance) P-C4' energy: -132.607 flat angles C4'-P-C4' energy: -133.049 flat angles P-C4'-P energy: -102.690 tors. eta vs tors. theta energy: -145.043 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: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1701.189826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.189826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.189826 (E_RNA) where: Base-Base interactions energy: -1111.359 where: short stacking energy: -465.991 Base-Backbone interact. energy: -3.057 local terms energy: -586.773404 where: bonds (distance) C4'-P energy: -125.343 bonds (distance) P-C4' energy: -132.266 flat angles C4'-P-C4' energy: -126.600 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -135.454 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: 7, replica: 8 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1600.063263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.063263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.063263 (E_RNA) where: Base-Base interactions energy: -1046.911 where: short stacking energy: -427.192 Base-Backbone interact. energy: -1.405 local terms energy: -551.746994 where: bonds (distance) C4'-P energy: -106.503 bonds (distance) P-C4' energy: -117.803 flat angles C4'-P-C4' energy: -136.517 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: -110.168 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: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1285.243932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.243932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.243932 (E_RNA) where: Base-Base interactions energy: -816.143 where: short stacking energy: -398.130 Base-Backbone interact. energy: 5.610 local terms energy: -474.710786 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -117.479 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -92.943 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: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1090.604915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.604915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.604915 (E_RNA) where: Base-Base interactions energy: -638.778 where: short stacking energy: -308.146 Base-Backbone interact. energy: -1.140 local terms energy: -450.686492 where: bonds (distance) C4'-P energy: -116.352 bonds (distance) P-C4' energy: -110.705 flat angles C4'-P-C4' energy: -103.110 flat angles P-C4'-P energy: -77.362 tors. eta vs tors. theta energy: -43.157 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: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -633.237559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.237559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.237559 (E_RNA) where: Base-Base interactions energy: -267.557 where: short stacking energy: -167.664 Base-Backbone interact. energy: 4.229 local terms energy: -369.908890 where: bonds (distance) C4'-P energy: -109.854 bonds (distance) P-C4' energy: -92.436 flat angles C4'-P-C4' energy: -102.751 flat angles P-C4'-P energy: -70.970 tors. eta vs tors. theta energy: 6.103 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: 313 Temperature: 0.900000 Total energy: -2372.496077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.496077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.496077 (E_RNA) where: Base-Base interactions energy: -1658.951 where: short stacking energy: -699.449 Base-Backbone interact. energy: 0.931 local terms energy: -714.475723 where: bonds (distance) C4'-P energy: -117.060 bonds (distance) P-C4' energy: -126.293 flat angles C4'-P-C4' energy: -154.562 flat angles P-C4'-P energy: -102.602 tors. eta vs tors. theta energy: -213.959 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: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2332.406016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.406016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.406016 (E_RNA) where: Base-Base interactions energy: -1612.218 where: short stacking energy: -698.804 Base-Backbone interact. energy: -0.181 local terms energy: -720.006406 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -119.847 flat angles C4'-P-C4' energy: -147.433 flat angles P-C4'-P energy: -103.983 tors. eta vs tors. theta energy: -212.974 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: 3, replica: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2227.115548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.115548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.115548 (E_RNA) where: Base-Base interactions energy: -1524.875 where: short stacking energy: -631.828 Base-Backbone interact. energy: -2.298 local terms energy: -699.942963 where: bonds (distance) C4'-P energy: -120.143 bonds (distance) P-C4' energy: -139.889 flat angles C4'-P-C4' energy: -154.178 flat angles P-C4'-P energy: -84.349 tors. eta vs tors. theta energy: -201.385 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: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2010.468838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.468838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.468838 (E_RNA) where: Base-Base interactions energy: -1364.537 where: short stacking energy: -588.570 Base-Backbone interact. energy: -3.501 local terms energy: -642.431008 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -125.197 flat angles C4'-P-C4' energy: -143.588 flat angles P-C4'-P energy: -85.238 tors. eta vs tors. theta energy: -174.762 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: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1886.325149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.325149 (E_RNA) where: Base-Base interactions energy: -1292.022 where: short stacking energy: -521.861 Base-Backbone interact. energy: 3.766 local terms energy: -598.069020 where: bonds (distance) C4'-P energy: -116.889 bonds (distance) P-C4' energy: -125.229 flat angles C4'-P-C4' energy: -123.056 flat angles P-C4'-P energy: -75.168 tors. eta vs tors. theta energy: -157.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1762.173468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.173468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.173468 (E_RNA) where: Base-Base interactions energy: -1159.661 where: short stacking energy: -511.955 Base-Backbone interact. energy: -1.370 local terms energy: -601.142635 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -135.208 flat angles P-C4'-P energy: -90.080 tors. eta vs tors. theta energy: -152.449 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: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1582.119698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.119698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.119698 (E_RNA) where: Base-Base interactions energy: -1048.995 where: short stacking energy: -438.670 Base-Backbone interact. energy: -5.067 local terms energy: -528.058251 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -113.777 flat angles C4'-P-C4' energy: -124.913 flat angles P-C4'-P energy: -82.624 tors. eta vs tors. theta energy: -105.042 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: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1279.751062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.751062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.751062 (E_RNA) where: Base-Base interactions energy: -829.249 where: short stacking energy: -397.051 Base-Backbone interact. energy: -2.437 local terms energy: -448.064888 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -104.547 flat angles C4'-P-C4' energy: -90.908 flat angles P-C4'-P energy: -73.898 tors. eta vs tors. theta energy: -67.649 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: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1072.785487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.785487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.785487 (E_RNA) where: Base-Base interactions energy: -630.319 where: short stacking energy: -304.541 Base-Backbone interact. energy: 1.303 local terms energy: -443.769398 where: bonds (distance) C4'-P energy: -123.167 bonds (distance) P-C4' energy: -110.314 flat angles C4'-P-C4' energy: -108.707 flat angles P-C4'-P energy: -70.635 tors. eta vs tors. theta energy: -30.945 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: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -571.928348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.928348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.928348 (E_RNA) where: Base-Base interactions energy: -246.036 where: short stacking energy: -140.936 Base-Backbone interact. energy: -0.409 local terms energy: -325.483601 where: bonds (distance) C4'-P energy: -90.943 bonds (distance) P-C4' energy: -111.827 flat angles C4'-P-C4' energy: -90.888 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: 12.151 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: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2367.695659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.695659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.695659 (E_RNA) where: Base-Base interactions energy: -1619.083 where: short stacking energy: -699.096 Base-Backbone interact. energy: -2.268 local terms energy: -746.344172 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -147.843 flat angles C4'-P-C4' energy: -154.661 flat angles P-C4'-P energy: -102.588 tors. eta vs tors. theta energy: -211.091 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: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2299.074585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.074585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.074585 (E_RNA) where: Base-Base interactions energy: -1610.388 where: short stacking energy: -691.783 Base-Backbone interact. energy: 0.467 local terms energy: -689.153829 where: bonds (distance) C4'-P energy: -127.080 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -143.945 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -202.403 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: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2214.645794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.645794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.645794 (E_RNA) where: Base-Base interactions energy: -1504.636 where: short stacking energy: -645.852 Base-Backbone interact. energy: 3.433 local terms energy: -713.442543 where: bonds (distance) C4'-P energy: -136.166 bonds (distance) P-C4' energy: -141.088 flat angles C4'-P-C4' energy: -151.734 flat angles P-C4'-P energy: -92.614 tors. eta vs tors. theta energy: -191.841 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: 314 Temperature: 1.050000 Total energy: -2055.371472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.371472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.371472 (E_RNA) where: Base-Base interactions energy: -1399.944 where: short stacking energy: -592.014 Base-Backbone interact. energy: -6.528 local terms energy: -648.899281 where: bonds (distance) C4'-P energy: -114.766 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -143.889 flat angles P-C4'-P energy: -90.196 tors. eta vs tors. theta energy: -171.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1934.435585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.435585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.435585 (E_RNA) where: Base-Base interactions energy: -1329.912 where: short stacking energy: -551.962 Base-Backbone interact. energy: -3.013 local terms energy: -601.510650 where: bonds (distance) C4'-P energy: -115.720 bonds (distance) P-C4' energy: -112.826 flat angles C4'-P-C4' energy: -135.009 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -152.951 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: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1675.664681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.664681 (E_RNA) where: Base-Base interactions energy: -1105.137 where: short stacking energy: -477.674 Base-Backbone interact. energy: -1.362 local terms energy: -569.165607 where: bonds (distance) C4'-P energy: -120.875 bonds (distance) P-C4' energy: -113.874 flat angles C4'-P-C4' energy: -126.577 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -131.271 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: 7, replica: 8 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1587.057032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.057032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.057032 (E_RNA) where: Base-Base interactions energy: -1025.709 where: short stacking energy: -457.632 Base-Backbone interact. energy: -2.344 local terms energy: -559.004087 where: bonds (distance) C4'-P energy: -108.999 bonds (distance) P-C4' energy: -130.238 flat angles C4'-P-C4' energy: -123.083 flat angles P-C4'-P energy: -85.497 tors. eta vs tors. theta energy: -111.187 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: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1236.131420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.131420 (E_RNA) where: Base-Base interactions energy: -765.069 where: short stacking energy: -346.308 Base-Backbone interact. energy: 0.537 local terms energy: -471.599746 where: bonds (distance) C4'-P energy: -87.837 bonds (distance) P-C4' energy: -117.689 flat angles C4'-P-C4' energy: -113.831 flat angles P-C4'-P energy: -83.544 tors. eta vs tors. theta energy: -68.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1028.410638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.410638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.410638 (E_RNA) where: Base-Base interactions energy: -589.041 where: short stacking energy: -297.138 Base-Backbone interact. energy: -0.400 local terms energy: -438.969281 where: bonds (distance) C4'-P energy: -119.413 bonds (distance) P-C4' energy: -90.777 flat angles C4'-P-C4' energy: -114.889 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -43.384 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: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -607.384441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.384441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.384441 (E_RNA) where: Base-Base interactions energy: -253.038 where: short stacking energy: -181.976 Base-Backbone interact. energy: 0.521 local terms energy: -354.867548 where: bonds (distance) C4'-P energy: -89.285 bonds (distance) P-C4' energy: -123.529 flat angles C4'-P-C4' energy: -100.001 flat angles P-C4'-P energy: -49.267 tors. eta vs tors. theta energy: 7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2380.730400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.730400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.730400 (E_RNA) where: Base-Base interactions energy: -1645.407 where: short stacking energy: -682.588 Base-Backbone interact. energy: -2.302 local terms energy: -733.020785 where: bonds (distance) C4'-P energy: -133.860 bonds (distance) P-C4' energy: -139.485 flat angles C4'-P-C4' energy: -146.177 flat angles P-C4'-P energy: -108.971 tors. eta vs tors. theta energy: -204.527 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2328.038146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.038146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.038146 (E_RNA) where: Base-Base interactions energy: -1603.391 where: short stacking energy: -706.102 Base-Backbone interact. energy: 3.797 local terms energy: -728.443636 where: bonds (distance) C4'-P energy: -137.030 bonds (distance) P-C4' energy: -132.886 flat angles C4'-P-C4' energy: -162.233 flat angles P-C4'-P energy: -91.185 tors. eta vs tors. theta energy: -205.109 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: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2232.517662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.517662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.517662 (E_RNA) where: Base-Base interactions energy: -1542.734 where: short stacking energy: -669.611 Base-Backbone interact. energy: -0.123 local terms energy: -689.660307 where: bonds (distance) C4'-P energy: -130.621 bonds (distance) P-C4' energy: -125.536 flat angles C4'-P-C4' energy: -140.719 flat angles P-C4'-P energy: -85.682 tors. eta vs tors. theta energy: -207.103 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: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2017.868373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.868373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.868373 (E_RNA) where: Base-Base interactions energy: -1383.800 where: short stacking energy: -580.218 Base-Backbone interact. energy: -3.073 local terms energy: -630.995362 where: bonds (distance) C4'-P energy: -123.530 bonds (distance) P-C4' energy: -129.065 flat angles C4'-P-C4' energy: -123.023 flat angles P-C4'-P energy: -84.581 tors. eta vs tors. theta energy: -170.796 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: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1913.737935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.737935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.737935 (E_RNA) where: Base-Base interactions energy: -1309.476 where: short stacking energy: -546.371 Base-Backbone interact. energy: -0.054 local terms energy: -604.208364 where: bonds (distance) C4'-P energy: -118.496 bonds (distance) P-C4' energy: -114.657 flat angles C4'-P-C4' energy: -130.470 flat angles P-C4'-P energy: -85.715 tors. eta vs tors. theta energy: -154.869 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: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1666.696249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.696249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.696249 (E_RNA) where: Base-Base interactions energy: -1139.963 where: short stacking energy: -486.742 Base-Backbone interact. energy: -4.982 local terms energy: -521.751289 where: bonds (distance) C4'-P energy: -92.521 bonds (distance) P-C4' energy: -110.092 flat angles C4'-P-C4' energy: -139.569 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -108.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1608.578969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.578969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.578969 (E_RNA) where: Base-Base interactions energy: -1039.438 where: short stacking energy: -448.442 Base-Backbone interact. energy: -2.573 local terms energy: -566.567675 where: bonds (distance) C4'-P energy: -122.308 bonds (distance) P-C4' energy: -129.418 flat angles C4'-P-C4' energy: -109.664 flat angles P-C4'-P energy: -90.858 tors. eta vs tors. theta energy: -114.319 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: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1216.596021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.596021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.596021 (E_RNA) where: Base-Base interactions energy: -751.214 where: short stacking energy: -355.101 Base-Backbone interact. energy: -1.516 local terms energy: -463.865858 where: bonds (distance) C4'-P energy: -104.495 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -106.792 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -49.211 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: 9, replica: 6 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1062.578095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.578095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.578095 (E_RNA) where: Base-Base interactions energy: -649.264 where: short stacking energy: -329.654 Base-Backbone interact. energy: 1.609 local terms energy: -414.923411 where: bonds (distance) C4'-P energy: -97.984 bonds (distance) P-C4' energy: -115.566 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -54.658 tors. eta vs tors. theta energy: -43.648 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: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -632.494514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.494514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.494514 (E_RNA) where: Base-Base interactions energy: -298.756 where: short stacking energy: -185.153 Base-Backbone interact. energy: 6.952 local terms energy: -340.690739 where: bonds (distance) C4'-P energy: -78.322 bonds (distance) P-C4' energy: -114.867 flat angles C4'-P-C4' energy: -95.148 flat angles P-C4'-P energy: -64.110 tors. eta vs tors. theta energy: 11.757 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: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2356.886497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.886497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.886497 (E_RNA) where: Base-Base interactions energy: -1642.420 where: short stacking energy: -715.824 Base-Backbone interact. energy: -0.868 local terms energy: -713.598600 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -122.836 flat angles C4'-P-C4' energy: -150.519 flat angles P-C4'-P energy: -103.311 tors. eta vs tors. theta energy: -206.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2324.720272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.720272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.720272 (E_RNA) where: Base-Base interactions energy: -1587.159 where: short stacking energy: -693.005 Base-Backbone interact. energy: -2.987 local terms energy: -734.574532 where: bonds (distance) C4'-P energy: -133.584 bonds (distance) P-C4' energy: -133.791 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -107.874 tors. eta vs tors. theta energy: -211.793 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: 3, replica: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2239.965257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.965257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.965257 (E_RNA) where: Base-Base interactions energy: -1545.372 where: short stacking energy: -643.563 Base-Backbone interact. energy: -2.192 local terms energy: -692.401614 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -128.226 flat angles C4'-P-C4' energy: -150.330 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -187.040 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: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1979.140765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.140765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.140765 (E_RNA) where: Base-Base interactions energy: -1343.881 where: short stacking energy: -590.368 Base-Backbone interact. energy: -2.116 local terms energy: -633.143194 where: bonds (distance) C4'-P energy: -125.680 bonds (distance) P-C4' energy: -122.479 flat angles C4'-P-C4' energy: -117.747 flat angles P-C4'-P energy: -99.062 tors. eta vs tors. theta energy: -168.175 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: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1941.692353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.692353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.692353 (E_RNA) where: Base-Base interactions energy: -1323.462 where: short stacking energy: -565.716 Base-Backbone interact. energy: -3.192 local terms energy: -615.038614 where: bonds (distance) C4'-P energy: -113.125 bonds (distance) P-C4' energy: -120.844 flat angles C4'-P-C4' energy: -118.600 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -165.414 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: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1679.285700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.285700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.285700 (E_RNA) where: Base-Base interactions energy: -1125.570 where: short stacking energy: -490.768 Base-Backbone interact. energy: -2.965 local terms energy: -550.750818 where: bonds (distance) C4'-P energy: -86.287 bonds (distance) P-C4' energy: -116.433 flat angles C4'-P-C4' energy: -119.310 flat angles P-C4'-P energy: -98.179 tors. eta vs tors. theta energy: -130.541 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: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1651.222262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.222262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.222262 (E_RNA) where: Base-Base interactions energy: -1098.077 where: short stacking energy: -472.707 Base-Backbone interact. energy: -1.731 local terms energy: -551.414362 where: bonds (distance) C4'-P energy: -83.627 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -136.186 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: 9 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1230.058608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.058608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.058608 (E_RNA) where: Base-Base interactions energy: -745.323 where: short stacking energy: -349.287 Base-Backbone interact. energy: 1.490 local terms energy: -486.225915 where: bonds (distance) C4'-P energy: -119.123 bonds (distance) P-C4' energy: -118.257 flat angles C4'-P-C4' energy: -105.884 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -68.823 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: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1062.763948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.763948 (E_RNA) where: Base-Base interactions energy: -641.655 where: short stacking energy: -342.188 Base-Backbone interact. energy: -1.207 local terms energy: -419.902144 where: bonds (distance) C4'-P energy: -95.453 bonds (distance) P-C4' energy: -106.116 flat angles C4'-P-C4' energy: -113.587 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -45.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -661.804689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.804689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.804689 (E_RNA) where: Base-Base interactions energy: -293.813 where: short stacking energy: -161.738 Base-Backbone interact. energy: -1.481 local terms energy: -366.510062 where: bonds (distance) C4'-P energy: -104.556 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -105.189 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: 24.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2362.577187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.577187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.577187 (E_RNA) where: Base-Base interactions energy: -1613.738 where: short stacking energy: -671.058 Base-Backbone interact. energy: 2.000 local terms energy: -750.839186 where: bonds (distance) C4'-P energy: -139.649 bonds (distance) P-C4' energy: -129.734 flat angles C4'-P-C4' energy: -163.941 flat angles P-C4'-P energy: -108.033 tors. eta vs tors. theta energy: -209.481 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: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2322.112698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.112698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.112698 (E_RNA) where: Base-Base interactions energy: -1618.330 where: short stacking energy: -690.174 Base-Backbone interact. energy: -1.969 local terms energy: -701.813376 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -122.333 flat angles C4'-P-C4' energy: -155.128 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -217.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2233.792561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.792561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.792561 (E_RNA) where: Base-Base interactions energy: -1541.072 where: short stacking energy: -645.109 Base-Backbone interact. energy: -2.732 local terms energy: -689.989113 where: bonds (distance) C4'-P energy: -126.541 bonds (distance) P-C4' energy: -139.746 flat angles C4'-P-C4' energy: -143.188 flat angles P-C4'-P energy: -80.867 tors. eta vs tors. theta energy: -199.648 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: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2030.556951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.556951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.556951 (E_RNA) where: Base-Base interactions energy: -1391.301 where: short stacking energy: -586.857 Base-Backbone interact. energy: 1.172 local terms energy: -640.428112 where: bonds (distance) C4'-P energy: -117.252 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -151.745 flat angles P-C4'-P energy: -83.466 tors. eta vs tors. theta energy: -165.467 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: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1954.379125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.379125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.379125 (E_RNA) where: Base-Base interactions energy: -1295.969 where: short stacking energy: -570.128 Base-Backbone interact. energy: -2.094 local terms energy: -656.316373 where: bonds (distance) C4'-P energy: -131.138 bonds (distance) P-C4' energy: -123.678 flat angles C4'-P-C4' energy: -128.264 flat angles P-C4'-P energy: -101.748 tors. eta vs tors. theta energy: -171.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1706.113564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.113564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.113564 (E_RNA) where: Base-Base interactions energy: -1119.907 where: short stacking energy: -452.260 Base-Backbone interact. energy: -3.730 local terms energy: -582.476795 where: bonds (distance) C4'-P energy: -119.920 bonds (distance) P-C4' energy: -113.879 flat angles C4'-P-C4' energy: -135.912 flat angles P-C4'-P energy: -91.701 tors. eta vs tors. theta energy: -121.065 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: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1596.372538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.372538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.372538 (E_RNA) where: Base-Base interactions energy: -1103.414 where: short stacking energy: -475.637 Base-Backbone interact. energy: -1.028 local terms energy: -491.930203 where: bonds (distance) C4'-P energy: -99.243 bonds (distance) P-C4' energy: -107.376 flat angles C4'-P-C4' energy: -109.490 flat angles P-C4'-P energy: -59.886 tors. eta vs tors. theta energy: -115.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1237.312734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.312734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.312734 (E_RNA) where: Base-Base interactions energy: -772.952 where: short stacking energy: -363.472 Base-Backbone interact. energy: -1.842 local terms energy: -462.518403 where: bonds (distance) C4'-P energy: -110.848 bonds (distance) P-C4' energy: -107.893 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -77.555 tors. eta vs tors. theta energy: -63.550 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: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1048.141677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.141677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.141677 (E_RNA) where: Base-Base interactions energy: -610.524 where: short stacking energy: -297.047 Base-Backbone interact. energy: -1.376 local terms energy: -436.241828 where: bonds (distance) C4'-P energy: -106.681 bonds (distance) P-C4' energy: -113.973 flat angles C4'-P-C4' energy: -114.991 flat angles P-C4'-P energy: -56.294 tors. eta vs tors. theta energy: -44.302 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: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -638.009799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.009799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.009799 (E_RNA) where: Base-Base interactions energy: -283.216 where: short stacking energy: -154.964 Base-Backbone interact. energy: 0.469 local terms energy: -355.263317 where: bonds (distance) C4'-P energy: -104.773 bonds (distance) P-C4' energy: -120.208 flat angles C4'-P-C4' energy: -91.526 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: 7.142 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: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2363.041677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.041677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.041677 (E_RNA) where: Base-Base interactions energy: -1642.155 where: short stacking energy: -707.583 Base-Backbone interact. energy: 1.557 local terms energy: -722.443699 where: bonds (distance) C4'-P energy: -127.640 bonds (distance) P-C4' energy: -120.849 flat angles C4'-P-C4' energy: -156.614 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -220.013 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: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2340.284176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.284176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.284176 (E_RNA) where: Base-Base interactions energy: -1619.541 where: short stacking energy: -687.842 Base-Backbone interact. energy: -1.124 local terms energy: -719.619021 where: bonds (distance) C4'-P energy: -123.497 bonds (distance) P-C4' energy: -132.785 flat angles C4'-P-C4' energy: -145.747 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -212.198 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: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2214.045406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.045406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.045406 (E_RNA) where: Base-Base interactions energy: -1516.951 where: short stacking energy: -625.555 Base-Backbone interact. energy: 0.422 local terms energy: -697.515968 where: bonds (distance) C4'-P energy: -127.187 bonds (distance) P-C4' energy: -126.570 flat angles C4'-P-C4' energy: -153.885 flat angles P-C4'-P energy: -95.393 tors. eta vs tors. theta energy: -194.481 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: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2024.506638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.506638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.506638 (E_RNA) where: Base-Base interactions energy: -1402.240 where: short stacking energy: -594.515 Base-Backbone interact. energy: -4.714 local terms energy: -617.552695 where: bonds (distance) C4'-P energy: -114.641 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -132.690 flat angles P-C4'-P energy: -86.590 tors. eta vs tors. theta energy: -166.469 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: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1949.688357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.688357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.688357 (E_RNA) where: Base-Base interactions energy: -1345.223 where: short stacking energy: -579.084 Base-Backbone interact. energy: -2.974 local terms energy: -601.492089 where: bonds (distance) C4'-P energy: -111.577 bonds (distance) P-C4' energy: -107.012 flat angles C4'-P-C4' energy: -130.163 flat angles P-C4'-P energy: -84.009 tors. eta vs tors. theta energy: -168.731 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: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1688.212973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.212973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.212973 (E_RNA) where: Base-Base interactions energy: -1115.434 where: short stacking energy: -443.242 Base-Backbone interact. energy: -3.431 local terms energy: -569.348442 where: bonds (distance) C4'-P energy: -103.637 bonds (distance) P-C4' energy: -143.419 flat angles C4'-P-C4' energy: -123.027 flat angles P-C4'-P energy: -85.841 tors. eta vs tors. theta energy: -113.425 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: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1638.771510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.771510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.771510 (E_RNA) where: Base-Base interactions energy: -1084.526 where: short stacking energy: -471.825 Base-Backbone interact. energy: -1.173 local terms energy: -553.072409 where: bonds (distance) C4'-P energy: -122.794 bonds (distance) P-C4' energy: -105.792 flat angles C4'-P-C4' energy: -115.331 flat angles P-C4'-P energy: -82.329 tors. eta vs tors. theta energy: -126.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1216.099498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.099498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.099498 (E_RNA) where: Base-Base interactions energy: -736.032 where: short stacking energy: -346.405 Base-Backbone interact. energy: -4.274 local terms energy: -475.794153 where: bonds (distance) C4'-P energy: -94.901 bonds (distance) P-C4' energy: -119.149 flat angles C4'-P-C4' energy: -108.835 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -77.335 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: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1049.972947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.972947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.972947 (E_RNA) where: Base-Base interactions energy: -635.260 where: short stacking energy: -332.014 Base-Backbone interact. energy: 4.049 local terms energy: -418.762613 where: bonds (distance) C4'-P energy: -94.341 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -62.892 tors. eta vs tors. theta energy: -51.303 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: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -646.986568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.986568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.986568 (E_RNA) where: Base-Base interactions energy: -302.685 where: short stacking energy: -212.399 Base-Backbone interact. energy: -3.523 local terms energy: -340.778485 where: bonds (distance) C4'-P energy: -98.181 bonds (distance) P-C4' energy: -106.933 flat angles C4'-P-C4' energy: -89.640 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: 14.832 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: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2373.851603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.851603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.851603 (E_RNA) where: Base-Base interactions energy: -1608.698 where: short stacking energy: -723.777 Base-Backbone interact. energy: -3.827 local terms energy: -761.326038 where: bonds (distance) C4'-P energy: -132.634 bonds (distance) P-C4' energy: -141.306 flat angles C4'-P-C4' energy: -160.607 flat angles P-C4'-P energy: -102.438 tors. eta vs tors. theta energy: -224.340 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2336.651615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.651615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.651615 (E_RNA) where: Base-Base interactions energy: -1593.188 where: short stacking energy: -677.594 Base-Backbone interact. energy: -2.066 local terms energy: -741.397197 where: bonds (distance) C4'-P energy: -127.686 bonds (distance) P-C4' energy: -135.463 flat angles C4'-P-C4' energy: -162.704 flat angles P-C4'-P energy: -109.350 tors. eta vs tors. theta energy: -206.194 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: 319 Temperature: 1.000000 Total energy: -2246.187161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.187161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.187161 (E_RNA) where: Base-Base interactions energy: -1567.800 where: short stacking energy: -654.857 Base-Backbone interact. energy: -2.793 local terms energy: -675.594151 where: bonds (distance) C4'-P energy: -113.676 bonds (distance) P-C4' energy: -116.407 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -99.723 tors. eta vs tors. theta energy: -202.412 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: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1979.551107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.551107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.551107 (E_RNA) where: Base-Base interactions energy: -1336.951 where: short stacking energy: -538.584 Base-Backbone interact. energy: -4.426 local terms energy: -638.173912 where: bonds (distance) C4'-P energy: -132.192 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -135.791 flat angles P-C4'-P energy: -91.700 tors. eta vs tors. theta energy: -153.845 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: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1901.974626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.974626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.974626 (E_RNA) where: Base-Base interactions energy: -1305.886 where: short stacking energy: -539.042 Base-Backbone interact. energy: -1.267 local terms energy: -594.821159 where: bonds (distance) C4'-P energy: -114.343 bonds (distance) P-C4' energy: -116.164 flat angles C4'-P-C4' energy: -132.638 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -153.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1659.176423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.176423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.176423 (E_RNA) where: Base-Base interactions energy: -1085.974 where: short stacking energy: -493.405 Base-Backbone interact. energy: -0.536 local terms energy: -572.666030 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -110.600 flat angles C4'-P-C4' energy: -135.503 flat angles P-C4'-P energy: -89.434 tors. eta vs tors. theta energy: -133.639 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: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1667.728332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.728332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.728332 (E_RNA) where: Base-Base interactions energy: -1097.096 where: short stacking energy: -461.294 Base-Backbone interact. energy: -0.712 local terms energy: -569.919843 where: bonds (distance) C4'-P energy: -115.432 bonds (distance) P-C4' energy: -104.412 flat angles C4'-P-C4' energy: -126.789 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -126.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1216.350414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.350414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.350414 (E_RNA) where: Base-Base interactions energy: -732.850 where: short stacking energy: -371.909 Base-Backbone interact. energy: -0.631 local terms energy: -482.869640 where: bonds (distance) C4'-P energy: -110.063 bonds (distance) P-C4' energy: -99.776 flat angles C4'-P-C4' energy: -129.121 flat angles P-C4'-P energy: -72.945 tors. eta vs tors. theta energy: -70.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1083.357554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.357554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.357554 (E_RNA) where: Base-Base interactions energy: -654.132 where: short stacking energy: -346.085 Base-Backbone interact. energy: -0.896 local terms energy: -428.329418 where: bonds (distance) C4'-P energy: -104.485 bonds (distance) P-C4' energy: -103.272 flat angles C4'-P-C4' energy: -98.917 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -63.443 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: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -643.723667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.723667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.723667 (E_RNA) where: Base-Base interactions energy: -289.009 where: short stacking energy: -189.233 Base-Backbone interact. energy: 4.008 local terms energy: -358.722873 where: bonds (distance) C4'-P energy: -106.068 bonds (distance) P-C4' energy: -110.588 flat angles C4'-P-C4' energy: -89.585 flat angles P-C4'-P energy: -62.681 tors. eta vs tors. theta energy: 10.200 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: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2361.159419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.159419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.159419 (E_RNA) where: Base-Base interactions energy: -1618.854 where: short stacking energy: -718.933 Base-Backbone interact. energy: -4.285 local terms energy: -738.020348 where: bonds (distance) C4'-P energy: -132.434 bonds (distance) P-C4' energy: -133.291 flat angles C4'-P-C4' energy: -159.704 flat angles P-C4'-P energy: -102.293 tors. eta vs tors. theta energy: -210.299 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: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2313.521810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.521810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.521810 (E_RNA) where: Base-Base interactions energy: -1614.369 where: short stacking energy: -682.102 Base-Backbone interact. energy: -2.238 local terms energy: -696.914924 where: bonds (distance) C4'-P energy: -135.155 bonds (distance) P-C4' energy: -127.158 flat angles C4'-P-C4' energy: -145.502 flat angles P-C4'-P energy: -81.841 tors. eta vs tors. theta energy: -207.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2230.062976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.062976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.062976 (E_RNA) where: Base-Base interactions energy: -1540.096 where: short stacking energy: -650.442 Base-Backbone interact. energy: -1.060 local terms energy: -688.907450 where: bonds (distance) C4'-P energy: -133.082 bonds (distance) P-C4' energy: -128.337 flat angles C4'-P-C4' energy: -147.512 flat angles P-C4'-P energy: -94.623 tors. eta vs tors. theta energy: -185.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2022.145710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.145710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.145710 (E_RNA) where: Base-Base interactions energy: -1362.462 where: short stacking energy: -581.328 Base-Backbone interact. energy: -1.646 local terms energy: -658.037807 where: bonds (distance) C4'-P energy: -136.538 bonds (distance) P-C4' energy: -121.565 flat angles C4'-P-C4' energy: -135.670 flat angles P-C4'-P energy: -94.548 tors. eta vs tors. theta energy: -169.717 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: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1949.131268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.131268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.131268 (E_RNA) where: Base-Base interactions energy: -1317.215 where: short stacking energy: -575.161 Base-Backbone interact. energy: -0.005 local terms energy: -631.911108 where: bonds (distance) C4'-P energy: -114.018 bonds (distance) P-C4' energy: -120.932 flat angles C4'-P-C4' energy: -144.930 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: -186.255 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: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1677.110804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.110804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.110804 (E_RNA) where: Base-Base interactions energy: -1129.223 where: short stacking energy: -470.539 Base-Backbone interact. energy: 0.908 local terms energy: -548.796660 where: bonds (distance) C4'-P energy: -109.880 bonds (distance) P-C4' energy: -105.501 flat angles C4'-P-C4' energy: -123.686 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -125.021 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: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1592.738872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.738872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.738872 (E_RNA) where: Base-Base interactions energy: -1061.809 where: short stacking energy: -463.901 Base-Backbone interact. energy: -2.647 local terms energy: -528.282738 where: bonds (distance) C4'-P energy: -109.096 bonds (distance) P-C4' energy: -95.598 flat angles C4'-P-C4' energy: -124.538 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: -113.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1225.322070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.322070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.322070 (E_RNA) where: Base-Base interactions energy: -746.294 where: short stacking energy: -368.020 Base-Backbone interact. energy: -3.321 local terms energy: -475.707840 where: bonds (distance) C4'-P energy: -94.125 bonds (distance) P-C4' energy: -116.817 flat angles C4'-P-C4' energy: -103.465 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -74.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -947.902771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.902771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.902771 (E_RNA) where: Base-Base interactions energy: -518.113 where: short stacking energy: -275.697 Base-Backbone interact. energy: -3.594 local terms energy: -426.195106 where: bonds (distance) C4'-P energy: -108.725 bonds (distance) P-C4' energy: -112.625 flat angles C4'-P-C4' energy: -117.898 flat angles P-C4'-P energy: -50.508 tors. eta vs tors. theta energy: -36.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -607.088350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.088350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.088350 (E_RNA) where: Base-Base interactions energy: -284.525 where: short stacking energy: -145.839 Base-Backbone interact. energy: 3.147 local terms energy: -325.710317 where: bonds (distance) C4'-P energy: -120.594 bonds (distance) P-C4' energy: -103.697 flat angles C4'-P-C4' energy: -92.554 flat angles P-C4'-P energy: -38.597 tors. eta vs tors. theta energy: 29.732 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: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2357.607443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.607443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.607443 (E_RNA) where: Base-Base interactions energy: -1628.445 where: short stacking energy: -707.621 Base-Backbone interact. energy: -2.509 local terms energy: -726.653218 where: bonds (distance) C4'-P energy: -129.515 bonds (distance) P-C4' energy: -137.585 flat angles C4'-P-C4' energy: -157.218 flat angles P-C4'-P energy: -97.295 tors. eta vs tors. theta energy: -205.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2358.853596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.853596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.853596 (E_RNA) where: Base-Base interactions energy: -1624.039 where: short stacking energy: -687.289 Base-Backbone interact. energy: -2.598 local terms energy: -732.216436 where: bonds (distance) C4'-P energy: -123.574 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -161.423 flat angles P-C4'-P energy: -115.925 tors. eta vs tors. theta energy: -202.443 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: 321 Temperature: 1.000000 Total energy: -2228.639005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.639005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.639005 (E_RNA) where: Base-Base interactions energy: -1530.458 where: short stacking energy: -666.388 Base-Backbone interact. energy: -2.847 local terms energy: -695.333671 where: bonds (distance) C4'-P energy: -115.803 bonds (distance) P-C4' energy: -128.695 flat angles C4'-P-C4' energy: -146.391 flat angles P-C4'-P energy: -102.981 tors. eta vs tors. theta energy: -201.465 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: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2066.959107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.959107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.959107 (E_RNA) where: Base-Base interactions energy: -1416.788 where: short stacking energy: -570.343 Base-Backbone interact. energy: -3.560 local terms energy: -646.611395 where: bonds (distance) C4'-P energy: -121.783 bonds (distance) P-C4' energy: -130.976 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -85.264 tors. eta vs tors. theta energy: -169.930 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: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1949.904688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.904688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.904688 (E_RNA) where: Base-Base interactions energy: -1309.892 where: short stacking energy: -557.827 Base-Backbone interact. energy: -2.066 local terms energy: -637.946929 where: bonds (distance) C4'-P energy: -119.960 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -137.368 flat angles P-C4'-P energy: -107.923 tors. eta vs tors. theta energy: -169.594 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1688.824160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.824160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.824160 (E_RNA) where: Base-Base interactions energy: -1130.690 where: short stacking energy: -481.627 Base-Backbone interact. energy: -1.474 local terms energy: -556.660172 where: bonds (distance) C4'-P energy: -115.458 bonds (distance) P-C4' energy: -117.427 flat angles C4'-P-C4' energy: -131.219 flat angles P-C4'-P energy: -79.864 tors. eta vs tors. theta energy: -112.692 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: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1663.164765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.164765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.164765 (E_RNA) where: Base-Base interactions energy: -1116.085 where: short stacking energy: -479.150 Base-Backbone interact. energy: -0.645 local terms energy: -546.433782 where: bonds (distance) C4'-P energy: -115.401 bonds (distance) P-C4' energy: -114.380 flat angles C4'-P-C4' energy: -126.461 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -123.103 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: 9 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1230.651091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.651091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.651091 (E_RNA) where: Base-Base interactions energy: -758.288 where: short stacking energy: -363.564 Base-Backbone interact. energy: -0.575 local terms energy: -471.788333 where: bonds (distance) C4'-P energy: -116.528 bonds (distance) P-C4' energy: -110.229 flat angles C4'-P-C4' energy: -95.866 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -77.395 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: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -908.672145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.672145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.672145 (E_RNA) where: Base-Base interactions energy: -513.926 where: short stacking energy: -275.785 Base-Backbone interact. energy: 0.962 local terms energy: -395.707860 where: bonds (distance) C4'-P energy: -105.641 bonds (distance) P-C4' energy: -111.438 flat angles C4'-P-C4' energy: -97.808 flat angles P-C4'-P energy: -53.848 tors. eta vs tors. theta energy: -26.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -638.907721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.907721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.907721 (E_RNA) where: Base-Base interactions energy: -280.685 where: short stacking energy: -199.252 Base-Backbone interact. energy: 2.243 local terms energy: -360.465737 where: bonds (distance) C4'-P energy: -113.817 bonds (distance) P-C4' energy: -101.941 flat angles C4'-P-C4' energy: -86.505 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: 5.755 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: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2362.124982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.124982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.124982 (E_RNA) where: Base-Base interactions energy: -1630.773 where: short stacking energy: -706.136 Base-Backbone interact. energy: -2.819 local terms energy: -728.532758 where: bonds (distance) C4'-P energy: -117.316 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -161.800 flat angles P-C4'-P energy: -102.486 tors. eta vs tors. theta energy: -213.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2330.614736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.614736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.614736 (E_RNA) where: Base-Base interactions energy: -1623.334 where: short stacking energy: -679.980 Base-Backbone interact. energy: 1.942 local terms energy: -709.223197 where: bonds (distance) C4'-P energy: -117.998 bonds (distance) P-C4' energy: -125.860 flat angles C4'-P-C4' energy: -152.639 flat angles P-C4'-P energy: -105.174 tors. eta vs tors. theta energy: -207.553 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: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2231.780897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.780897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.780897 (E_RNA) where: Base-Base interactions energy: -1545.749 where: short stacking energy: -667.123 Base-Backbone interact. energy: -3.082 local terms energy: -682.949537 where: bonds (distance) C4'-P energy: -129.379 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -142.839 flat angles P-C4'-P energy: -92.488 tors. eta vs tors. theta energy: -191.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2037.602312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.602312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.602312 (E_RNA) where: Base-Base interactions energy: -1414.364 where: short stacking energy: -588.690 Base-Backbone interact. energy: -4.333 local terms energy: -618.905161 where: bonds (distance) C4'-P energy: -107.401 bonds (distance) P-C4' energy: -116.136 flat angles C4'-P-C4' energy: -143.675 flat angles P-C4'-P energy: -78.682 tors. eta vs tors. theta energy: -173.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1958.538871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.538871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.538871 (E_RNA) where: Base-Base interactions energy: -1346.595 where: short stacking energy: -591.344 Base-Backbone interact. energy: -3.047 local terms energy: -608.896409 where: bonds (distance) C4'-P energy: -119.784 bonds (distance) P-C4' energy: -95.370 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -64.525 tors. eta vs tors. theta energy: -176.536 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: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1695.550488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.550488 (E_RNA) where: Base-Base interactions energy: -1128.971 where: short stacking energy: -492.149 Base-Backbone interact. energy: -7.116 local terms energy: -559.462983 where: bonds (distance) C4'-P energy: -96.165 bonds (distance) P-C4' energy: -118.374 flat angles C4'-P-C4' energy: -139.121 flat angles P-C4'-P energy: -82.869 tors. eta vs tors. theta energy: -122.934 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: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1632.662553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.662553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.662553 (E_RNA) where: Base-Base interactions energy: -1097.414 where: short stacking energy: -464.153 Base-Backbone interact. energy: 1.864 local terms energy: -537.112822 where: bonds (distance) C4'-P energy: -111.401 bonds (distance) P-C4' energy: -121.867 flat angles C4'-P-C4' energy: -111.881 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -116.159 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: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1266.426006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.426006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.426006 (E_RNA) where: Base-Base interactions energy: -775.972 where: short stacking energy: -365.657 Base-Backbone interact. energy: 1.226 local terms energy: -491.680176 where: bonds (distance) C4'-P energy: -121.483 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -114.092 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -70.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -928.929380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.929380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.929380 (E_RNA) where: Base-Base interactions energy: -516.859 where: short stacking energy: -267.467 Base-Backbone interact. energy: -0.691 local terms energy: -411.379657 where: bonds (distance) C4'-P energy: -116.005 bonds (distance) P-C4' energy: -123.463 flat angles C4'-P-C4' energy: -96.487 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -30.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -626.912871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.912871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.912871 (E_RNA) where: Base-Base interactions energy: -284.539 where: short stacking energy: -204.848 Base-Backbone interact. energy: 2.411 local terms energy: -344.784931 where: bonds (distance) C4'-P energy: -84.370 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: 5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2370.400659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.400659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.400659 (E_RNA) where: Base-Base interactions energy: -1641.728 where: short stacking energy: -703.950 Base-Backbone interact. energy: -2.813 local terms energy: -725.859616 where: bonds (distance) C4'-P energy: -125.634 bonds (distance) P-C4' energy: -121.933 flat angles C4'-P-C4' energy: -161.800 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -219.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2317.255433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.255433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.255433 (E_RNA) where: Base-Base interactions energy: -1615.605 where: short stacking energy: -698.862 Base-Backbone interact. energy: -2.803 local terms energy: -698.846848 where: bonds (distance) C4'-P energy: -114.020 bonds (distance) P-C4' energy: -122.715 flat angles C4'-P-C4' energy: -147.284 flat angles P-C4'-P energy: -103.617 tors. eta vs tors. theta energy: -211.210 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: 323 Temperature: 1.000000 Total energy: -2243.143090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.143090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.143090 (E_RNA) where: Base-Base interactions energy: -1531.918 where: short stacking energy: -652.608 Base-Backbone interact. energy: -1.423 local terms energy: -709.801804 where: bonds (distance) C4'-P energy: -126.811 bonds (distance) P-C4' energy: -130.619 flat angles C4'-P-C4' energy: -153.447 flat angles P-C4'-P energy: -101.865 tors. eta vs tors. theta energy: -197.059 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: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2047.673786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.673786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.673786 (E_RNA) where: Base-Base interactions energy: -1405.176 where: short stacking energy: -597.642 Base-Backbone interact. energy: -2.669 local terms energy: -639.828944 where: bonds (distance) C4'-P energy: -107.962 bonds (distance) P-C4' energy: -123.764 flat angles C4'-P-C4' energy: -153.999 flat angles P-C4'-P energy: -80.114 tors. eta vs tors. theta energy: -173.990 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: 5, replica: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1925.484057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.484057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.484057 (E_RNA) where: Base-Base interactions energy: -1306.112 where: short stacking energy: -515.259 Base-Backbone interact. energy: -4.105 local terms energy: -615.267524 where: bonds (distance) C4'-P energy: -116.945 bonds (distance) P-C4' energy: -123.274 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: -156.118 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: 323 Temperature: 1.150000 Total energy: -1714.395774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.395774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.395774 (E_RNA) where: Base-Base interactions energy: -1126.251 where: short stacking energy: -514.775 Base-Backbone interact. energy: -0.139 local terms energy: -588.006230 where: bonds (distance) C4'-P energy: -123.761 bonds (distance) P-C4' energy: -133.107 flat angles C4'-P-C4' energy: -120.854 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -133.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1643.625280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.625280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.625280 (E_RNA) where: Base-Base interactions energy: -1071.746 where: short stacking energy: -480.221 Base-Backbone interact. energy: -0.934 local terms energy: -570.945028 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -116.917 flat angles C4'-P-C4' energy: -138.419 flat angles P-C4'-P energy: -78.123 tors. eta vs tors. theta energy: -126.574 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: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1202.955260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.955260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.955260 (E_RNA) where: Base-Base interactions energy: -743.541 where: short stacking energy: -352.128 Base-Backbone interact. energy: 2.963 local terms energy: -462.378149 where: bonds (distance) C4'-P energy: -110.984 bonds (distance) P-C4' energy: -111.922 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -61.735 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: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -951.087789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.087789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.087789 (E_RNA) where: Base-Base interactions energy: -546.959 where: short stacking energy: -278.536 Base-Backbone interact. energy: -1.373 local terms energy: -402.755729 where: bonds (distance) C4'-P energy: -114.586 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -99.505 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -35.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -687.248651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.248651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.248651 (E_RNA) where: Base-Base interactions energy: -308.782 where: short stacking energy: -166.682 Base-Backbone interact. energy: 2.629 local terms energy: -381.094924 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -105.433 flat angles C4'-P-C4' energy: -89.592 flat angles P-C4'-P energy: -79.244 tors. eta vs tors. theta energy: 10.310 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: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2361.176780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.176780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.176780 (E_RNA) where: Base-Base interactions energy: -1612.823 where: short stacking energy: -698.059 Base-Backbone interact. energy: 1.097 local terms energy: -749.450900 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -142.048 flat angles C4'-P-C4' energy: -158.513 flat angles P-C4'-P energy: -106.186 tors. eta vs tors. theta energy: -212.652 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: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2321.871824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.871824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.871824 (E_RNA) where: Base-Base interactions energy: -1627.822 where: short stacking energy: -677.939 Base-Backbone interact. energy: -4.699 local terms energy: -689.350801 where: bonds (distance) C4'-P energy: -113.654 bonds (distance) P-C4' energy: -128.034 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -98.331 tors. eta vs tors. theta energy: -199.194 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: 324 Temperature: 1.000000 Total energy: -2260.523797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.523797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.523797 (E_RNA) where: Base-Base interactions energy: -1541.064 where: short stacking energy: -677.629 Base-Backbone interact. energy: -0.250 local terms energy: -719.210114 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -126.307 flat angles C4'-P-C4' energy: -149.367 flat angles P-C4'-P energy: -113.288 tors. eta vs tors. theta energy: -205.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2060.285988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.285988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.285988 (E_RNA) where: Base-Base interactions energy: -1376.889 where: short stacking energy: -585.325 Base-Backbone interact. energy: -2.886 local terms energy: -680.510285 where: bonds (distance) C4'-P energy: -127.430 bonds (distance) P-C4' energy: -134.586 flat angles C4'-P-C4' energy: -142.301 flat angles P-C4'-P energy: -88.483 tors. eta vs tors. theta energy: -187.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1952.259309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.259309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.259309 (E_RNA) where: Base-Base interactions energy: -1338.592 where: short stacking energy: -567.150 Base-Backbone interact. energy: -2.363 local terms energy: -611.304405 where: bonds (distance) C4'-P energy: -111.964 bonds (distance) P-C4' energy: -130.419 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: -167.404 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: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1765.411641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.411641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.411641 (E_RNA) where: Base-Base interactions energy: -1187.169 where: short stacking energy: -522.151 Base-Backbone interact. energy: -1.526 local terms energy: -576.715917 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -112.512 flat angles C4'-P-C4' energy: -136.603 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: -139.571 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: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1644.241182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.241182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.241182 (E_RNA) where: Base-Base interactions energy: -1125.707 where: short stacking energy: -480.921 Base-Backbone interact. energy: -0.188 local terms energy: -518.346513 where: bonds (distance) C4'-P energy: -114.365 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -112.793 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -101.626 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: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1212.229846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.229846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.229846 (E_RNA) where: Base-Base interactions energy: -777.440 where: short stacking energy: -356.917 Base-Backbone interact. energy: 2.444 local terms energy: -437.234077 where: bonds (distance) C4'-P energy: -108.049 bonds (distance) P-C4' energy: -102.141 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -54.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -994.555341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.555341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.555341 (E_RNA) where: Base-Base interactions energy: -594.314 where: short stacking energy: -288.677 Base-Backbone interact. energy: 0.231 local terms energy: -400.472593 where: bonds (distance) C4'-P energy: -99.417 bonds (distance) P-C4' energy: -106.053 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: -27.979 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: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -706.737879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.737879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.737879 (E_RNA) where: Base-Base interactions energy: -343.798 where: short stacking energy: -181.654 Base-Backbone interact. energy: -1.766 local terms energy: -361.174159 where: bonds (distance) C4'-P energy: -112.943 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -104.155 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: 9.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2338.851348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.851348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.851348 (E_RNA) where: Base-Base interactions energy: -1615.027 where: short stacking energy: -706.433 Base-Backbone interact. energy: -2.559 local terms energy: -721.265936 where: bonds (distance) C4'-P energy: -129.294 bonds (distance) P-C4' energy: -126.060 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -217.857 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: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2354.609590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.609590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.609590 (E_RNA) where: Base-Base interactions energy: -1632.595 where: short stacking energy: -692.797 Base-Backbone interact. energy: -3.175 local terms energy: -718.839153 where: bonds (distance) C4'-P energy: -135.406 bonds (distance) P-C4' energy: -132.291 flat angles C4'-P-C4' energy: -144.081 flat angles P-C4'-P energy: -96.982 tors. eta vs tors. theta energy: -210.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2231.713794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.713794 (E_RNA) where: Base-Base interactions energy: -1529.662 where: short stacking energy: -658.404 Base-Backbone interact. energy: -4.465 local terms energy: -697.586223 where: bonds (distance) C4'-P energy: -136.123 bonds (distance) P-C4' energy: -116.753 flat angles C4'-P-C4' energy: -152.391 flat angles P-C4'-P energy: -97.325 tors. eta vs tors. theta energy: -194.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2074.724849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.724849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.724849 (E_RNA) where: Base-Base interactions energy: -1383.642 where: short stacking energy: -615.304 Base-Backbone interact. energy: -4.061 local terms energy: -687.021953 where: bonds (distance) C4'-P energy: -138.187 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -102.875 tors. eta vs tors. theta energy: -176.255 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: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1894.672718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.672718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.672718 (E_RNA) where: Base-Base interactions energy: -1293.420 where: short stacking energy: -547.796 Base-Backbone interact. energy: -1.966 local terms energy: -599.286438 where: bonds (distance) C4'-P energy: -115.104 bonds (distance) P-C4' energy: -111.206 flat angles C4'-P-C4' energy: -140.274 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -161.392 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1888.666780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.666780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.666780 (E_RNA) where: Base-Base interactions energy: -1259.672 where: short stacking energy: -534.331 Base-Backbone interact. energy: 5.189 local terms energy: -634.183784 where: bonds (distance) C4'-P energy: -125.130 bonds (distance) P-C4' energy: -130.215 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -160.921 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: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1619.529904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.529904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.529904 (E_RNA) where: Base-Base interactions energy: -1091.217 where: short stacking energy: -467.383 Base-Backbone interact. energy: 7.326 local terms energy: -535.639226 where: bonds (distance) C4'-P energy: -104.348 bonds (distance) P-C4' energy: -121.215 flat angles C4'-P-C4' energy: -110.051 flat angles P-C4'-P energy: -75.847 tors. eta vs tors. theta energy: -124.178 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: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1239.169185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.169185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.169185 (E_RNA) where: Base-Base interactions energy: -784.250 where: short stacking energy: -363.572 Base-Backbone interact. energy: 3.443 local terms energy: -458.361695 where: bonds (distance) C4'-P energy: -119.507 bonds (distance) P-C4' energy: -94.957 flat angles C4'-P-C4' energy: -112.229 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: -76.846 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: 9, replica: 6 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -987.573282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.573282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.573282 (E_RNA) where: Base-Base interactions energy: -560.579 where: short stacking energy: -291.279 Base-Backbone interact. energy: -3.057 local terms energy: -423.937460 where: bonds (distance) C4'-P energy: -120.143 bonds (distance) P-C4' energy: -92.611 flat angles C4'-P-C4' energy: -99.029 flat angles P-C4'-P energy: -66.974 tors. eta vs tors. theta energy: -45.181 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -658.969911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.969911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.969911 (E_RNA) where: Base-Base interactions energy: -303.162 where: short stacking energy: -183.794 Base-Backbone interact. energy: -2.784 local terms energy: -353.023789 where: bonds (distance) C4'-P energy: -105.868 bonds (distance) P-C4' energy: -106.673 flat angles C4'-P-C4' energy: -85.091 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: 5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2351.829292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.829292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.829292 (E_RNA) where: Base-Base interactions energy: -1625.137 where: short stacking energy: -669.490 Base-Backbone interact. energy: -3.605 local terms energy: -723.087500 where: bonds (distance) C4'-P energy: -136.649 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -152.662 flat angles P-C4'-P energy: -95.320 tors. eta vs tors. theta energy: -203.832 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: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2311.482693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.482693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.482693 (E_RNA) where: Base-Base interactions energy: -1597.996 where: short stacking energy: -668.544 Base-Backbone interact. energy: -3.578 local terms energy: -709.908385 where: bonds (distance) C4'-P energy: -128.832 bonds (distance) P-C4' energy: -135.867 flat angles C4'-P-C4' energy: -147.670 flat angles P-C4'-P energy: -95.932 tors. eta vs tors. theta energy: -201.608 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: 326 Temperature: 1.000000 Total energy: -2258.444603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.444603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.444603 (E_RNA) where: Base-Base interactions energy: -1557.831 where: short stacking energy: -662.647 Base-Backbone interact. energy: -2.276 local terms energy: -698.337647 where: bonds (distance) C4'-P energy: -124.924 bonds (distance) P-C4' energy: -114.961 flat angles C4'-P-C4' energy: -147.608 flat angles P-C4'-P energy: -99.837 tors. eta vs tors. theta energy: -211.007 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: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2025.476840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.476840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.476840 (E_RNA) where: Base-Base interactions energy: -1367.961 where: short stacking energy: -584.083 Base-Backbone interact. energy: -2.101 local terms energy: -655.414683 where: bonds (distance) C4'-P energy: -114.096 bonds (distance) P-C4' energy: -137.070 flat angles C4'-P-C4' energy: -144.495 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -171.901 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: 326 Temperature: 1.100000 Total energy: -1936.723453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.723453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.723453 (E_RNA) where: Base-Base interactions energy: -1339.225 where: short stacking energy: -560.329 Base-Backbone interact. energy: 0.968 local terms energy: -598.466890 where: bonds (distance) C4'-P energy: -90.370 bonds (distance) P-C4' energy: -123.545 flat angles C4'-P-C4' energy: -145.216 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -162.224 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: 326 Temperature: 1.150000 Total energy: -1798.740689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.740689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.740689 (E_RNA) where: Base-Base interactions energy: -1237.596 where: short stacking energy: -521.154 Base-Backbone interact. energy: -4.407 local terms energy: -556.737964 where: bonds (distance) C4'-P energy: -94.832 bonds (distance) P-C4' energy: -110.779 flat angles C4'-P-C4' energy: -126.510 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -146.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1662.818822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.818822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.818822 (E_RNA) where: Base-Base interactions energy: -1118.840 where: short stacking energy: -491.564 Base-Backbone interact. energy: -2.575 local terms energy: -541.403368 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -114.107 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -121.873 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: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1192.724850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.724850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.724850 (E_RNA) where: Base-Base interactions energy: -704.451 where: short stacking energy: -340.841 Base-Backbone interact. energy: -1.663 local terms energy: -486.610404 where: bonds (distance) C4'-P energy: -99.512 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -114.057 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -69.193 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: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -990.554218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.554218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.554218 (E_RNA) where: Base-Base interactions energy: -569.254 where: short stacking energy: -307.915 Base-Backbone interact. energy: 4.487 local terms energy: -425.787743 where: bonds (distance) C4'-P energy: -108.293 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -106.816 flat angles P-C4'-P energy: -42.800 tors. eta vs tors. theta energy: -49.761 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -712.370456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.370456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.370456 (E_RNA) where: Base-Base interactions energy: -355.944 where: short stacking energy: -187.183 Base-Backbone interact. energy: -0.336 local terms energy: -356.090117 where: bonds (distance) C4'-P energy: -105.767 bonds (distance) P-C4' energy: -110.245 flat angles C4'-P-C4' energy: -97.719 flat angles P-C4'-P energy: -56.067 tors. eta vs tors. theta energy: 13.708 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: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2360.479659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.479659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.479659 (E_RNA) where: Base-Base interactions energy: -1627.730 where: short stacking energy: -707.588 Base-Backbone interact. energy: -1.700 local terms energy: -731.049686 where: bonds (distance) C4'-P energy: -121.584 bonds (distance) P-C4' energy: -135.130 flat angles C4'-P-C4' energy: -151.461 flat angles P-C4'-P energy: -104.191 tors. eta vs tors. theta energy: -218.684 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: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2286.080632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.080632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.080632 (E_RNA) where: Base-Base interactions energy: -1559.149 where: short stacking energy: -674.874 Base-Backbone interact. energy: -0.894 local terms energy: -726.037683 where: bonds (distance) C4'-P energy: -140.535 bonds (distance) P-C4' energy: -136.401 flat angles C4'-P-C4' energy: -145.125 flat angles P-C4'-P energy: -107.686 tors. eta vs tors. theta energy: -196.289 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: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2284.360941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.360941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.360941 (E_RNA) where: Base-Base interactions energy: -1582.340 where: short stacking energy: -670.316 Base-Backbone interact. energy: -0.328 local terms energy: -701.692896 where: bonds (distance) C4'-P energy: -117.672 bonds (distance) P-C4' energy: -122.533 flat angles C4'-P-C4' energy: -147.197 flat angles P-C4'-P energy: -102.334 tors. eta vs tors. theta energy: -211.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2051.244896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.244896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.244896 (E_RNA) where: Base-Base interactions energy: -1401.119 where: short stacking energy: -602.353 Base-Backbone interact. energy: -3.737 local terms energy: -646.388968 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -111.481 flat angles C4'-P-C4' energy: -150.408 flat angles P-C4'-P energy: -81.627 tors. eta vs tors. theta energy: -175.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1920.961182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.961182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.961182 (E_RNA) where: Base-Base interactions energy: -1321.832 where: short stacking energy: -573.620 Base-Backbone interact. energy: -4.983 local terms energy: -594.145398 where: bonds (distance) C4'-P energy: -108.432 bonds (distance) P-C4' energy: -118.566 flat angles C4'-P-C4' energy: -130.183 flat angles P-C4'-P energy: -72.809 tors. eta vs tors. theta energy: -164.155 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: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1811.884199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.884199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.884199 (E_RNA) where: Base-Base interactions energy: -1229.604 where: short stacking energy: -535.704 Base-Backbone interact. energy: 2.201 local terms energy: -584.481195 where: bonds (distance) C4'-P energy: -112.500 bonds (distance) P-C4' energy: -80.388 flat angles C4'-P-C4' energy: -138.676 flat angles P-C4'-P energy: -93.699 tors. eta vs tors. theta energy: -159.218 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: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1633.093592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.093592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.093592 (E_RNA) where: Base-Base interactions energy: -1091.340 where: short stacking energy: -491.894 Base-Backbone interact. energy: -1.942 local terms energy: -539.812242 where: bonds (distance) C4'-P energy: -123.651 bonds (distance) P-C4' energy: -116.895 flat angles C4'-P-C4' energy: -112.520 flat angles P-C4'-P energy: -66.798 tors. eta vs tors. theta energy: -119.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1169.178167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.178167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.178167 (E_RNA) where: Base-Base interactions energy: -711.193 where: short stacking energy: -339.519 Base-Backbone interact. energy: -0.192 local terms energy: -457.793445 where: bonds (distance) C4'-P energy: -108.227 bonds (distance) P-C4' energy: -101.768 flat angles C4'-P-C4' energy: -114.411 flat angles P-C4'-P energy: -87.318 tors. eta vs tors. theta energy: -46.069 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: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -948.345003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.345003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.345003 (E_RNA) where: Base-Base interactions energy: -518.066 where: short stacking energy: -269.087 Base-Backbone interact. energy: -4.107 local terms energy: -426.171915 where: bonds (distance) C4'-P energy: -76.163 bonds (distance) P-C4' energy: -122.616 flat angles C4'-P-C4' energy: -114.459 flat angles P-C4'-P energy: -75.398 tors. eta vs tors. theta energy: -37.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -702.522320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.522320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.522320 (E_RNA) where: Base-Base interactions energy: -359.235 where: short stacking energy: -205.463 Base-Backbone interact. energy: 0.958 local terms energy: -344.245376 where: bonds (distance) C4'-P energy: -90.277 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -85.722 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -20.978 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: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2369.260132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.260132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.260132 (E_RNA) where: Base-Base interactions energy: -1628.104 where: short stacking energy: -721.818 Base-Backbone interact. energy: -0.552 local terms energy: -740.603447 where: bonds (distance) C4'-P energy: -133.864 bonds (distance) P-C4' energy: -129.645 flat angles C4'-P-C4' energy: -147.888 flat angles P-C4'-P energy: -106.782 tors. eta vs tors. theta energy: -222.425 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: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2295.886775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.886775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.886775 (E_RNA) where: Base-Base interactions energy: -1614.554 where: short stacking energy: -685.424 Base-Backbone interact. energy: -0.051 local terms energy: -681.281990 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -122.536 flat angles C4'-P-C4' energy: -143.022 flat angles P-C4'-P energy: -90.159 tors. eta vs tors. theta energy: -201.675 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: 328 Temperature: 1.000000 Total energy: -2294.157159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.157159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.157159 (E_RNA) where: Base-Base interactions energy: -1590.583 where: short stacking energy: -667.345 Base-Backbone interact. energy: -4.104 local terms energy: -699.470245 where: bonds (distance) C4'-P energy: -122.999 bonds (distance) P-C4' energy: -121.152 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -102.217 tors. eta vs tors. theta energy: -203.849 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: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2051.118589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.118589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.118589 (E_RNA) where: Base-Base interactions energy: -1406.542 where: short stacking energy: -580.790 Base-Backbone interact. energy: -2.168 local terms energy: -642.408392 where: bonds (distance) C4'-P energy: -116.278 bonds (distance) P-C4' energy: -122.255 flat angles C4'-P-C4' energy: -145.188 flat angles P-C4'-P energy: -88.646 tors. eta vs tors. theta energy: -170.042 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: 328 Temperature: 1.100000 Total energy: -1944.150132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.150132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.150132 (E_RNA) where: Base-Base interactions energy: -1295.476 where: short stacking energy: -551.279 Base-Backbone interact. energy: -1.916 local terms energy: -646.758489 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -118.042 flat angles C4'-P-C4' energy: -144.199 flat angles P-C4'-P energy: -108.887 tors. eta vs tors. theta energy: -159.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1843.687166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.687166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.687166 (E_RNA) where: Base-Base interactions energy: -1256.393 where: short stacking energy: -520.045 Base-Backbone interact. energy: -1.254 local terms energy: -586.040424 where: bonds (distance) C4'-P energy: -98.042 bonds (distance) P-C4' energy: -102.992 flat angles C4'-P-C4' energy: -141.115 flat angles P-C4'-P energy: -96.552 tors. eta vs tors. theta energy: -147.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1569.634300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.634300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.634300 (E_RNA) where: Base-Base interactions energy: -1041.837 where: short stacking energy: -428.027 Base-Backbone interact. energy: -4.452 local terms energy: -523.344509 where: bonds (distance) C4'-P energy: -101.484 bonds (distance) P-C4' energy: -112.292 flat angles C4'-P-C4' energy: -117.761 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -115.427 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: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1153.948984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.948984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.948984 (E_RNA) where: Base-Base interactions energy: -675.725 where: short stacking energy: -330.684 Base-Backbone interact. energy: -4.613 local terms energy: -473.610701 where: bonds (distance) C4'-P energy: -108.562 bonds (distance) P-C4' energy: -115.697 flat angles C4'-P-C4' energy: -99.565 flat angles P-C4'-P energy: -78.262 tors. eta vs tors. theta energy: -71.524 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: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -909.552560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.552560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.552560 (E_RNA) where: Base-Base interactions energy: -472.556 where: short stacking energy: -238.066 Base-Backbone interact. energy: 0.547 local terms energy: -437.543306 where: bonds (distance) C4'-P energy: -97.783 bonds (distance) P-C4' energy: -128.253 flat angles C4'-P-C4' energy: -110.504 flat angles P-C4'-P energy: -74.666 tors. eta vs tors. theta energy: -26.338 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: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -740.628316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.628316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.628316 (E_RNA) where: Base-Base interactions energy: -378.730 where: short stacking energy: -192.088 Base-Backbone interact. energy: -0.975 local terms energy: -360.923439 where: bonds (distance) C4'-P energy: -116.261 bonds (distance) P-C4' energy: -104.589 flat angles C4'-P-C4' energy: -94.066 flat angles P-C4'-P energy: -57.461 tors. eta vs tors. theta energy: 11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2383.118627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.118627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.118627 (E_RNA) where: Base-Base interactions energy: -1630.073 where: short stacking energy: -711.362 Base-Backbone interact. energy: -3.172 local terms energy: -749.873141 where: bonds (distance) C4'-P energy: -130.276 bonds (distance) P-C4' energy: -136.938 flat angles C4'-P-C4' energy: -163.315 flat angles P-C4'-P energy: -103.573 tors. eta vs tors. theta energy: -215.771 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: 329 Temperature: 0.950000 Total energy: -2330.717545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.717545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.717545 (E_RNA) where: Base-Base interactions energy: -1607.304 where: short stacking energy: -679.295 Base-Backbone interact. energy: -0.043 local terms energy: -723.370146 where: bonds (distance) C4'-P energy: -119.373 bonds (distance) P-C4' energy: -139.565 flat angles C4'-P-C4' energy: -156.152 flat angles P-C4'-P energy: -105.393 tors. eta vs tors. theta energy: -202.888 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: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2252.976547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.976547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.976547 (E_RNA) where: Base-Base interactions energy: -1558.778 where: short stacking energy: -665.481 Base-Backbone interact. energy: -2.846 local terms energy: -691.352995 where: bonds (distance) C4'-P energy: -110.109 bonds (distance) P-C4' energy: -132.244 flat angles C4'-P-C4' energy: -143.062 flat angles P-C4'-P energy: -110.164 tors. eta vs tors. theta energy: -195.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2081.411738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.411738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.411738 (E_RNA) where: Base-Base interactions energy: -1434.374 where: short stacking energy: -590.371 Base-Backbone interact. energy: -2.272 local terms energy: -644.765851 where: bonds (distance) C4'-P energy: -125.386 bonds (distance) P-C4' energy: -120.968 flat angles C4'-P-C4' energy: -142.934 flat angles P-C4'-P energy: -86.177 tors. eta vs tors. theta energy: -169.302 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: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1938.582728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.582728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.582728 (E_RNA) where: Base-Base interactions energy: -1302.252 where: short stacking energy: -574.209 Base-Backbone interact. energy: -3.994 local terms energy: -632.336585 where: bonds (distance) C4'-P energy: -126.899 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -125.047 flat angles P-C4'-P energy: -88.697 tors. eta vs tors. theta energy: -171.378 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1848.115123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.115123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.115123 (E_RNA) where: Base-Base interactions energy: -1242.656 where: short stacking energy: -525.509 Base-Backbone interact. energy: 0.768 local terms energy: -606.226414 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -122.693 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -80.988 tors. eta vs tors. theta energy: -147.829 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: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1562.471606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.471606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.471606 (E_RNA) where: Base-Base interactions energy: -1046.084 where: short stacking energy: -454.538 Base-Backbone interact. energy: 3.058 local terms energy: -519.445624 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -117.296 flat angles C4'-P-C4' energy: -110.687 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -104.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1122.743864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.743864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.743864 (E_RNA) where: Base-Base interactions energy: -694.398 where: short stacking energy: -321.848 Base-Backbone interact. energy: -1.925 local terms energy: -426.420500 where: bonds (distance) C4'-P energy: -110.942 bonds (distance) P-C4' energy: -105.086 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -40.118 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: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -883.556053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.556053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.556053 (E_RNA) where: Base-Base interactions energy: -494.083 where: short stacking energy: -248.392 Base-Backbone interact. energy: -1.374 local terms energy: -388.099251 where: bonds (distance) C4'-P energy: -111.853 bonds (distance) P-C4' energy: -114.321 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -53.258 tors. eta vs tors. theta energy: -10.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -742.793761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.793761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.793761 (E_RNA) where: Base-Base interactions energy: -429.811 where: short stacking energy: -229.939 Base-Backbone interact. energy: 8.082 local terms energy: -321.064538 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -119.079 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -22.764 tors. eta vs tors. theta energy: 1.349 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: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2382.843983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.843983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.843983 (E_RNA) where: Base-Base interactions energy: -1644.294 where: short stacking energy: -693.437 Base-Backbone interact. energy: -2.664 local terms energy: -735.886315 where: bonds (distance) C4'-P energy: -131.190 bonds (distance) P-C4' energy: -127.298 flat angles C4'-P-C4' energy: -159.708 flat angles P-C4'-P energy: -97.789 tors. eta vs tors. theta energy: -219.901 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: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2321.714456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.714456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.714456 (E_RNA) where: Base-Base interactions energy: -1593.445 where: short stacking energy: -648.459 Base-Backbone interact. energy: -5.300 local terms energy: -722.969562 where: bonds (distance) C4'-P energy: -136.458 bonds (distance) P-C4' energy: -138.286 flat angles C4'-P-C4' energy: -151.834 flat angles P-C4'-P energy: -99.464 tors. eta vs tors. theta energy: -196.926 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: 3, replica: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2256.962054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.962054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.962054 (E_RNA) where: Base-Base interactions energy: -1532.432 where: short stacking energy: -638.835 Base-Backbone interact. energy: -5.275 local terms energy: -719.254846 where: bonds (distance) C4'-P energy: -134.008 bonds (distance) P-C4' energy: -134.722 flat angles C4'-P-C4' energy: -152.185 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -189.576 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: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2086.862523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.862523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.862523 (E_RNA) where: Base-Base interactions energy: -1426.161 where: short stacking energy: -568.779 Base-Backbone interact. energy: -3.367 local terms energy: -657.334225 where: bonds (distance) C4'-P energy: -131.376 bonds (distance) P-C4' energy: -127.830 flat angles C4'-P-C4' energy: -131.748 flat angles P-C4'-P energy: -92.609 tors. eta vs tors. theta energy: -173.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1918.435167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.435167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.435167 (E_RNA) where: Base-Base interactions energy: -1289.759 where: short stacking energy: -551.584 Base-Backbone interact. energy: -1.061 local terms energy: -627.615405 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -125.485 flat angles C4'-P-C4' energy: -139.334 flat angles P-C4'-P energy: -93.597 tors. eta vs tors. theta energy: -161.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1833.398253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.398253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.398253 (E_RNA) where: Base-Base interactions energy: -1247.131 where: short stacking energy: -531.473 Base-Backbone interact. energy: -2.715 local terms energy: -583.551809 where: bonds (distance) C4'-P energy: -106.491 bonds (distance) P-C4' energy: -128.255 flat angles C4'-P-C4' energy: -121.366 flat angles P-C4'-P energy: -79.520 tors. eta vs tors. theta energy: -147.920 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: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1569.025140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.025140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.025140 (E_RNA) where: Base-Base interactions energy: -1039.711 where: short stacking energy: -451.128 Base-Backbone interact. energy: -0.961 local terms energy: -528.353707 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -112.075 flat angles C4'-P-C4' energy: -129.610 flat angles P-C4'-P energy: -65.398 tors. eta vs tors. theta energy: -113.524 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: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1262.139570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.139570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.139570 (E_RNA) where: Base-Base interactions energy: -791.688 where: short stacking energy: -377.897 Base-Backbone interact. energy: -2.583 local terms energy: -467.868271 where: bonds (distance) C4'-P energy: -111.962 bonds (distance) P-C4' energy: -114.601 flat angles C4'-P-C4' energy: -108.879 flat angles P-C4'-P energy: -64.365 tors. eta vs tors. theta energy: -68.061 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: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -982.041047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.041047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.041047 (E_RNA) where: Base-Base interactions energy: -530.796 where: short stacking energy: -273.022 Base-Backbone interact. energy: -0.999 local terms energy: -450.246122 where: bonds (distance) C4'-P energy: -126.380 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -101.657 flat angles P-C4'-P energy: -54.573 tors. eta vs tors. theta energy: -37.780 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: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -779.517334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.517334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.517334 (E_RNA) where: Base-Base interactions energy: -409.568 where: short stacking energy: -220.784 Base-Backbone interact. energy: 4.806 local terms energy: -374.755274 where: bonds (distance) C4'-P energy: -127.225 bonds (distance) P-C4' energy: -102.158 flat angles C4'-P-C4' energy: -111.501 flat angles P-C4'-P energy: -32.297 tors. eta vs tors. theta energy: -1.575 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2368.573148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.573148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.573148 (E_RNA) where: Base-Base interactions energy: -1611.624 where: short stacking energy: -685.468 Base-Backbone interact. energy: -4.578 local terms energy: -752.371704 where: bonds (distance) C4'-P energy: -125.718 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -162.041 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -217.012 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: 7 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2307.619744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.619744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.619744 (E_RNA) where: Base-Base interactions energy: -1567.598 where: short stacking energy: -661.742 Base-Backbone interact. energy: -3.263 local terms energy: -736.758593 where: bonds (distance) C4'-P energy: -132.756 bonds (distance) P-C4' energy: -134.620 flat angles C4'-P-C4' energy: -156.880 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -206.929 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2239.860859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.860859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.860859 (E_RNA) where: Base-Base interactions energy: -1569.104 where: short stacking energy: -637.023 Base-Backbone interact. energy: -2.064 local terms energy: -668.693083 where: bonds (distance) C4'-P energy: -126.688 bonds (distance) P-C4' energy: -112.675 flat angles C4'-P-C4' energy: -146.090 flat angles P-C4'-P energy: -98.243 tors. eta vs tors. theta energy: -184.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2076.777453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.777453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.777453 (E_RNA) where: Base-Base interactions energy: -1419.419 where: short stacking energy: -615.887 Base-Backbone interact. energy: -1.705 local terms energy: -655.653656 where: bonds (distance) C4'-P energy: -121.554 bonds (distance) P-C4' energy: -124.507 flat angles C4'-P-C4' energy: -148.322 flat angles P-C4'-P energy: -90.969 tors. eta vs tors. theta energy: -170.302 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: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1945.108466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.108466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.108466 (E_RNA) where: Base-Base interactions energy: -1308.000 where: short stacking energy: -581.985 Base-Backbone interact. energy: -5.259 local terms energy: -631.849575 where: bonds (distance) C4'-P energy: -112.881 bonds (distance) P-C4' energy: -117.591 flat angles C4'-P-C4' energy: -136.698 flat angles P-C4'-P energy: -96.063 tors. eta vs tors. theta energy: -168.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1767.061104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.061104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.061104 (E_RNA) where: Base-Base interactions energy: -1188.045 where: short stacking energy: -503.374 Base-Backbone interact. energy: 2.741 local terms energy: -581.756970 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -118.643 flat angles C4'-P-C4' energy: -130.472 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -110.239 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: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1548.268419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.268419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.268419 (E_RNA) where: Base-Base interactions energy: -1037.508 where: short stacking energy: -438.686 Base-Backbone interact. energy: -0.613 local terms energy: -510.147255 where: bonds (distance) C4'-P energy: -93.537 bonds (distance) P-C4' energy: -112.285 flat angles C4'-P-C4' energy: -124.360 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -101.042 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: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1323.133655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.133655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.133655 (E_RNA) where: Base-Base interactions energy: -841.918 where: short stacking energy: -398.860 Base-Backbone interact. energy: 1.267 local terms energy: -482.483470 where: bonds (distance) C4'-P energy: -104.952 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -116.114 flat angles P-C4'-P energy: -70.703 tors. eta vs tors. theta energy: -69.540 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: 9, replica: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -983.860385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.860385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.860385 (E_RNA) where: Base-Base interactions energy: -546.532 where: short stacking energy: -270.355 Base-Backbone interact. energy: -1.343 local terms energy: -435.985050 where: bonds (distance) C4'-P energy: -107.664 bonds (distance) P-C4' energy: -108.650 flat angles C4'-P-C4' energy: -101.448 flat angles P-C4'-P energy: -71.667 tors. eta vs tors. theta energy: -46.557 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: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -732.805967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.805967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.805967 (E_RNA) where: Base-Base interactions energy: -361.977 where: short stacking energy: -184.630 Base-Backbone interact. energy: 0.645 local terms energy: -371.473702 where: bonds (distance) C4'-P energy: -124.170 bonds (distance) P-C4' energy: -115.702 flat angles C4'-P-C4' energy: -98.910 flat angles P-C4'-P energy: -54.396 tors. eta vs tors. theta energy: 21.705 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: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2346.696987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.696987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.696987 (E_RNA) where: Base-Base interactions energy: -1613.846 where: short stacking energy: -698.903 Base-Backbone interact. energy: -3.318 local terms energy: -729.533087 where: bonds (distance) C4'-P energy: -134.595 bonds (distance) P-C4' energy: -139.003 flat angles C4'-P-C4' energy: -154.347 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -210.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2317.318430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.318430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.318430 (E_RNA) where: Base-Base interactions energy: -1594.751 where: short stacking energy: -655.354 Base-Backbone interact. energy: -2.275 local terms energy: -720.292794 where: bonds (distance) C4'-P energy: -128.270 bonds (distance) P-C4' energy: -141.750 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -105.025 tors. eta vs tors. theta energy: -195.808 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: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2246.487009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.487009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.487009 (E_RNA) where: Base-Base interactions energy: -1565.500 where: short stacking energy: -649.393 Base-Backbone interact. energy: 0.285 local terms energy: -681.271414 where: bonds (distance) C4'-P energy: -136.066 bonds (distance) P-C4' energy: -127.332 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -96.969 tors. eta vs tors. theta energy: -184.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2070.097582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.097582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.097582 (E_RNA) where: Base-Base interactions energy: -1414.870 where: short stacking energy: -593.701 Base-Backbone interact. energy: -1.362 local terms energy: -653.866069 where: bonds (distance) C4'-P energy: -123.247 bonds (distance) P-C4' energy: -128.045 flat angles C4'-P-C4' energy: -139.311 flat angles P-C4'-P energy: -96.820 tors. eta vs tors. theta energy: -166.442 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: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1807.786313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.786313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.786313 (E_RNA) where: Base-Base interactions energy: -1208.559 where: short stacking energy: -534.233 Base-Backbone interact. energy: -1.325 local terms energy: -597.902530 where: bonds (distance) C4'-P energy: -111.682 bonds (distance) P-C4' energy: -112.868 flat angles C4'-P-C4' energy: -141.171 flat angles P-C4'-P energy: -83.637 tors. eta vs tors. theta energy: -148.545 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: 332 Temperature: 1.150000 Total energy: -1825.820670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.820670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.820670 (E_RNA) where: Base-Base interactions energy: -1213.261 where: short stacking energy: -522.716 Base-Backbone interact. energy: -3.614 local terms energy: -608.945257 where: bonds (distance) C4'-P energy: -119.857 bonds (distance) P-C4' energy: -111.422 flat angles C4'-P-C4' energy: -136.675 flat angles P-C4'-P energy: -90.105 tors. eta vs tors. theta energy: -150.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1560.811617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.811617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.811617 (E_RNA) where: Base-Base interactions energy: -1045.591 where: short stacking energy: -450.983 Base-Backbone interact. energy: -2.012 local terms energy: -513.208856 where: bonds (distance) C4'-P energy: -89.103 bonds (distance) P-C4' energy: -123.556 flat angles C4'-P-C4' energy: -112.180 flat angles P-C4'-P energy: -74.407 tors. eta vs tors. theta energy: -113.962 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: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1250.673751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.673751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.673751 (E_RNA) where: Base-Base interactions energy: -798.121 where: short stacking energy: -363.723 Base-Backbone interact. energy: 1.160 local terms energy: -453.713116 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -115.162 flat angles C4'-P-C4' energy: -108.711 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -67.309 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: 6 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1008.383708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.383708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.383708 (E_RNA) where: Base-Base interactions energy: -607.633 where: short stacking energy: -295.242 Base-Backbone interact. energy: -0.823 local terms energy: -399.927694 where: bonds (distance) C4'-P energy: -108.699 bonds (distance) P-C4' energy: -93.232 flat angles C4'-P-C4' energy: -96.231 flat angles P-C4'-P energy: -58.390 tors. eta vs tors. theta energy: -43.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -762.389369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.389369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.389369 (E_RNA) where: Base-Base interactions energy: -380.863 where: short stacking energy: -210.846 Base-Backbone interact. energy: 3.053 local terms energy: -384.579084 where: bonds (distance) C4'-P energy: -113.559 bonds (distance) P-C4' energy: -105.914 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -19.614 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: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2349.028101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.028101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.028101 (E_RNA) where: Base-Base interactions energy: -1625.688 where: short stacking energy: -694.141 Base-Backbone interact. energy: -3.988 local terms energy: -719.351789 where: bonds (distance) C4'-P energy: -123.517 bonds (distance) P-C4' energy: -133.710 flat angles C4'-P-C4' energy: -153.462 flat angles P-C4'-P energy: -108.021 tors. eta vs tors. theta energy: -200.642 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: 2, replica: 7 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2293.777364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.777364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.777364 (E_RNA) where: Base-Base interactions energy: -1576.331 where: short stacking energy: -681.063 Base-Backbone interact. energy: -0.756 local terms energy: -716.690097 where: bonds (distance) C4'-P energy: -121.407 bonds (distance) P-C4' energy: -122.699 flat angles C4'-P-C4' energy: -158.118 flat angles P-C4'-P energy: -106.349 tors. eta vs tors. theta energy: -208.117 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: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2249.846576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.846576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.846576 (E_RNA) where: Base-Base interactions energy: -1578.742 where: short stacking energy: -669.719 Base-Backbone interact. energy: -3.499 local terms energy: -667.605972 where: bonds (distance) C4'-P energy: -113.107 bonds (distance) P-C4' energy: -126.251 flat angles C4'-P-C4' energy: -136.895 flat angles P-C4'-P energy: -91.031 tors. eta vs tors. theta energy: -200.323 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: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2060.920175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.920175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.920175 (E_RNA) where: Base-Base interactions energy: -1449.905 where: short stacking energy: -574.238 Base-Backbone interact. energy: 4.059 local terms energy: -615.073674 where: bonds (distance) C4'-P energy: -122.796 bonds (distance) P-C4' energy: -125.048 flat angles C4'-P-C4' energy: -128.833 flat angles P-C4'-P energy: -77.322 tors. eta vs tors. theta energy: -161.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1792.317414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.317414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.317414 (E_RNA) where: Base-Base interactions energy: -1187.059 where: short stacking energy: -518.610 Base-Backbone interact. energy: -2.197 local terms energy: -603.061467 where: bonds (distance) C4'-P energy: -110.611 bonds (distance) P-C4' energy: -119.323 flat angles C4'-P-C4' energy: -135.757 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -138.352 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: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1754.194780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.194780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.194780 (E_RNA) where: Base-Base interactions energy: -1167.863 where: short stacking energy: -490.477 Base-Backbone interact. energy: -3.968 local terms energy: -582.363784 where: bonds (distance) C4'-P energy: -118.868 bonds (distance) P-C4' energy: -118.945 flat angles C4'-P-C4' energy: -123.667 flat angles P-C4'-P energy: -84.661 tors. eta vs tors. theta energy: -136.224 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: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1572.482908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.482908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.482908 (E_RNA) where: Base-Base interactions energy: -1041.837 where: short stacking energy: -448.459 Base-Backbone interact. energy: -0.572 local terms energy: -530.074526 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -121.020 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -121.140 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: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1241.765040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.765040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.765040 (E_RNA) where: Base-Base interactions energy: -783.925 where: short stacking energy: -370.035 Base-Backbone interact. energy: 0.294 local terms energy: -458.133985 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -116.875 flat angles C4'-P-C4' energy: -121.350 flat angles P-C4'-P energy: -60.940 tors. eta vs tors. theta energy: -59.223 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: 6 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -983.466369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.466369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.466369 (E_RNA) where: Base-Base interactions energy: -546.254 where: short stacking energy: -274.994 Base-Backbone interact. energy: 0.846 local terms energy: -438.058061 where: bonds (distance) C4'-P energy: -116.571 bonds (distance) P-C4' energy: -113.342 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -66.125 tors. eta vs tors. theta energy: -41.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -735.232799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.232799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.232799 (E_RNA) where: Base-Base interactions energy: -364.531 where: short stacking energy: -202.934 Base-Backbone interact. energy: -2.049 local terms energy: -368.653200 where: bonds (distance) C4'-P energy: -99.248 bonds (distance) P-C4' energy: -104.072 flat angles C4'-P-C4' energy: -98.178 flat angles P-C4'-P energy: -63.032 tors. eta vs tors. theta energy: -4.123 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: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2325.035979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.035979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.035979 (E_RNA) where: Base-Base interactions energy: -1617.782 where: short stacking energy: -697.516 Base-Backbone interact. energy: -0.625 local terms energy: -706.629589 where: bonds (distance) C4'-P energy: -132.821 bonds (distance) P-C4' energy: -121.024 flat angles C4'-P-C4' energy: -160.203 flat angles P-C4'-P energy: -94.279 tors. eta vs tors. theta energy: -198.302 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: 2, replica: 7 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2276.462638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.462638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.462638 (E_RNA) where: Base-Base interactions energy: -1535.198 where: short stacking energy: -652.997 Base-Backbone interact. energy: -2.083 local terms energy: -739.181815 where: bonds (distance) C4'-P energy: -142.940 bonds (distance) P-C4' energy: -136.896 flat angles C4'-P-C4' energy: -163.296 flat angles P-C4'-P energy: -105.618 tors. eta vs tors. theta energy: -190.433 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: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2225.812889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.812889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.812889 (E_RNA) where: Base-Base interactions energy: -1528.335 where: short stacking energy: -662.915 Base-Backbone interact. energy: -2.862 local terms energy: -694.615853 where: bonds (distance) C4'-P energy: -112.181 bonds (distance) P-C4' energy: -128.901 flat angles C4'-P-C4' energy: -135.024 flat angles P-C4'-P energy: -113.659 tors. eta vs tors. theta energy: -204.851 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: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2082.379502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.379502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.379502 (E_RNA) where: Base-Base interactions energy: -1424.529 where: short stacking energy: -599.203 Base-Backbone interact. energy: -1.931 local terms energy: -655.919698 where: bonds (distance) C4'-P energy: -125.309 bonds (distance) P-C4' energy: -122.509 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -95.004 tors. eta vs tors. theta energy: -173.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1861.039242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.039242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.039242 (E_RNA) where: Base-Base interactions energy: -1264.446 where: short stacking energy: -539.433 Base-Backbone interact. energy: -3.179 local terms energy: -593.413856 where: bonds (distance) C4'-P energy: -110.506 bonds (distance) P-C4' energy: -105.697 flat angles C4'-P-C4' energy: -121.405 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -162.877 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: 334 Temperature: 1.150000 Total energy: -1814.968811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.968811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.968811 (E_RNA) where: Base-Base interactions energy: -1217.006 where: short stacking energy: -533.491 Base-Backbone interact. energy: -1.773 local terms energy: -596.190455 where: bonds (distance) C4'-P energy: -109.238 bonds (distance) P-C4' energy: -117.141 flat angles C4'-P-C4' energy: -129.270 flat angles P-C4'-P energy: -79.649 tors. eta vs tors. theta energy: -160.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1534.132722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.132722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.132722 (E_RNA) where: Base-Base interactions energy: -1010.687 where: short stacking energy: -447.004 Base-Backbone interact. energy: -0.345 local terms energy: -523.099858 where: bonds (distance) C4'-P energy: -136.014 bonds (distance) P-C4' energy: -112.462 flat angles C4'-P-C4' energy: -104.018 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -97.639 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: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1250.920746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.920746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.920746 (E_RNA) where: Base-Base interactions energy: -778.263 where: short stacking energy: -372.434 Base-Backbone interact. energy: 0.238 local terms energy: -472.895235 where: bonds (distance) C4'-P energy: -99.788 bonds (distance) P-C4' energy: -110.786 flat angles C4'-P-C4' energy: -103.717 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -84.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -955.559788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.559788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.559788 (E_RNA) where: Base-Base interactions energy: -547.465 where: short stacking energy: -279.980 Base-Backbone interact. energy: 3.836 local terms energy: -411.930619 where: bonds (distance) C4'-P energy: -99.807 bonds (distance) P-C4' energy: -98.262 flat angles C4'-P-C4' energy: -95.078 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -46.187 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: 10, replica: 4 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -734.520709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.520709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.520709 (E_RNA) where: Base-Base interactions energy: -363.564 where: short stacking energy: -196.744 Base-Backbone interact. energy: 5.489 local terms energy: -376.445171 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -45.322 tors. eta vs tors. theta energy: 12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2358.176535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.176535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.176535 (E_RNA) where: Base-Base interactions energy: -1612.870 where: short stacking energy: -710.483 Base-Backbone interact. energy: 0.375 local terms energy: -745.681941 where: bonds (distance) C4'-P energy: -126.931 bonds (distance) P-C4' energy: -150.629 flat angles C4'-P-C4' energy: -150.693 flat angles P-C4'-P energy: -99.568 tors. eta vs tors. theta energy: -217.861 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: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2298.321342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.321342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.321342 (E_RNA) where: Base-Base interactions energy: -1595.633 where: short stacking energy: -683.746 Base-Backbone interact. energy: -1.122 local terms energy: -701.566363 where: bonds (distance) C4'-P energy: -125.335 bonds (distance) P-C4' energy: -121.716 flat angles C4'-P-C4' energy: -148.635 flat angles P-C4'-P energy: -103.684 tors. eta vs tors. theta energy: -202.197 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: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2208.097352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.097352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.097352 (E_RNA) where: Base-Base interactions energy: -1525.091 where: short stacking energy: -652.612 Base-Backbone interact. energy: -1.608 local terms energy: -681.397784 where: bonds (distance) C4'-P energy: -116.886 bonds (distance) P-C4' energy: -115.194 flat angles C4'-P-C4' energy: -151.858 flat angles P-C4'-P energy: -99.134 tors. eta vs tors. theta energy: -198.326 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: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2079.097215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.097215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.097215 (E_RNA) where: Base-Base interactions energy: -1440.096 where: short stacking energy: -573.333 Base-Backbone interact. energy: -2.523 local terms energy: -636.477942 where: bonds (distance) C4'-P energy: -125.460 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -143.535 flat angles P-C4'-P energy: -89.511 tors. eta vs tors. theta energy: -154.127 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: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1851.879827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.879827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.879827 (E_RNA) where: Base-Base interactions energy: -1254.051 where: short stacking energy: -532.937 Base-Backbone interact. energy: -2.432 local terms energy: -595.396967 where: bonds (distance) C4'-P energy: -109.213 bonds (distance) P-C4' energy: -122.954 flat angles C4'-P-C4' energy: -133.409 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -155.320 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: 335 Temperature: 1.150000 Total energy: -1714.538713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.538713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.538713 (E_RNA) where: Base-Base interactions energy: -1142.084 where: short stacking energy: -509.696 Base-Backbone interact. energy: -0.373 local terms energy: -572.081935 where: bonds (distance) C4'-P energy: -115.795 bonds (distance) P-C4' energy: -118.720 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -83.619 tors. eta vs tors. theta energy: -140.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1411.003445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.003445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.003445 (E_RNA) where: Base-Base interactions energy: -943.156 where: short stacking energy: -413.370 Base-Backbone interact. energy: -1.346 local terms energy: -466.501654 where: bonds (distance) C4'-P energy: -112.206 bonds (distance) P-C4' energy: -108.942 flat angles C4'-P-C4' energy: -119.181 flat angles P-C4'-P energy: -43.702 tors. eta vs tors. theta energy: -82.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1320.428063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.428063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.428063 (E_RNA) where: Base-Base interactions energy: -831.434 where: short stacking energy: -376.684 Base-Backbone interact. energy: -0.391 local terms energy: -488.603101 where: bonds (distance) C4'-P energy: -102.075 bonds (distance) P-C4' energy: -106.522 flat angles C4'-P-C4' energy: -113.307 flat angles P-C4'-P energy: -80.665 tors. eta vs tors. theta energy: -86.034 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: 9, replica: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -986.509961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.509961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.509961 (E_RNA) where: Base-Base interactions energy: -566.208 where: short stacking energy: -282.901 Base-Backbone interact. energy: 1.685 local terms energy: -421.986877 where: bonds (distance) C4'-P energy: -126.434 bonds (distance) P-C4' energy: -116.519 flat angles C4'-P-C4' energy: -116.300 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -13.987 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: 4 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -804.573327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.573327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.573327 (E_RNA) where: Base-Base interactions energy: -442.717 where: short stacking energy: -246.570 Base-Backbone interact. energy: -2.552 local terms energy: -359.304367 where: bonds (distance) C4'-P energy: -85.199 bonds (distance) P-C4' energy: -115.732 flat angles C4'-P-C4' energy: -83.461 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -15.506 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: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2352.670762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.670762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.670762 (E_RNA) where: Base-Base interactions energy: -1629.471 where: short stacking energy: -676.843 Base-Backbone interact. energy: -0.854 local terms energy: -722.345542 where: bonds (distance) C4'-P energy: -131.945 bonds (distance) P-C4' energy: -130.996 flat angles C4'-P-C4' energy: -157.130 flat angles P-C4'-P energy: -95.877 tors. eta vs tors. theta energy: -206.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2324.124719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.124719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.124719 (E_RNA) where: Base-Base interactions energy: -1597.061 where: short stacking energy: -703.444 Base-Backbone interact. energy: -0.716 local terms energy: -726.347127 where: bonds (distance) C4'-P energy: -122.420 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -158.556 flat angles P-C4'-P energy: -88.878 tors. eta vs tors. theta energy: -217.663 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: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2232.803201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.803201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.803201 (E_RNA) where: Base-Base interactions energy: -1550.167 where: short stacking energy: -653.481 Base-Backbone interact. energy: 0.507 local terms energy: -683.142525 where: bonds (distance) C4'-P energy: -119.660 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -93.730 tors. eta vs tors. theta energy: -194.212 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: 4, replica: 10 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2068.314813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.314813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.314813 (E_RNA) where: Base-Base interactions energy: -1406.967 where: short stacking energy: -588.956 Base-Backbone interact. energy: -3.995 local terms energy: -657.352676 where: bonds (distance) C4'-P energy: -120.923 bonds (distance) P-C4' energy: -134.907 flat angles C4'-P-C4' energy: -147.120 flat angles P-C4'-P energy: -82.418 tors. eta vs tors. theta energy: -171.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1875.764556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.764556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.764556 (E_RNA) where: Base-Base interactions energy: -1250.941 where: short stacking energy: -522.777 Base-Backbone interact. energy: 0.222 local terms energy: -625.046052 where: bonds (distance) C4'-P energy: -124.118 bonds (distance) P-C4' energy: -124.421 flat angles C4'-P-C4' energy: -131.105 flat angles P-C4'-P energy: -86.314 tors. eta vs tors. theta energy: -159.088 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: 336 Temperature: 1.150000 Total energy: -1727.040468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.040468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.040468 (E_RNA) where: Base-Base interactions energy: -1137.279 where: short stacking energy: -535.178 Base-Backbone interact. energy: -4.609 local terms energy: -585.152401 where: bonds (distance) C4'-P energy: -103.809 bonds (distance) P-C4' energy: -124.227 flat angles C4'-P-C4' energy: -118.536 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -148.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1377.424744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.424744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.424744 (E_RNA) where: Base-Base interactions energy: -889.546 where: short stacking energy: -395.316 Base-Backbone interact. energy: -3.400 local terms energy: -484.479443 where: bonds (distance) C4'-P energy: -112.438 bonds (distance) P-C4' energy: -113.849 flat angles C4'-P-C4' energy: -125.316 flat angles P-C4'-P energy: -51.420 tors. eta vs tors. theta energy: -81.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1333.378351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.378351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.378351 (E_RNA) where: Base-Base interactions energy: -871.884 where: short stacking energy: -383.807 Base-Backbone interact. energy: -1.873 local terms energy: -459.621962 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -112.362 flat angles C4'-P-C4' energy: -104.021 flat angles P-C4'-P energy: -70.326 tors. eta vs tors. theta energy: -76.392 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: 9, replica: 6 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -943.078785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.078785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.078785 (E_RNA) where: Base-Base interactions energy: -546.891 where: short stacking energy: -281.231 Base-Backbone interact. energy: 0.975 local terms energy: -397.163098 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -118.296 flat angles C4'-P-C4' energy: -95.684 flat angles P-C4'-P energy: -63.142 tors. eta vs tors. theta energy: -35.461 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: 10, replica: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -854.552277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.552277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.552277 (E_RNA) where: Base-Base interactions energy: -480.128 where: short stacking energy: -258.476 Base-Backbone interact. energy: -3.940 local terms energy: -370.484417 where: bonds (distance) C4'-P energy: -112.211 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -100.183 flat angles P-C4'-P energy: -28.487 tors. eta vs tors. theta energy: -20.953 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: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2357.545181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.545181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.545181 (E_RNA) where: Base-Base interactions energy: -1637.887 where: short stacking energy: -677.525 Base-Backbone interact. energy: -1.098 local terms energy: -718.560068 where: bonds (distance) C4'-P energy: -117.725 bonds (distance) P-C4' energy: -140.095 flat angles C4'-P-C4' energy: -160.544 flat angles P-C4'-P energy: -96.187 tors. eta vs tors. theta energy: -204.009 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: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2314.500780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.500780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.500780 (E_RNA) where: Base-Base interactions energy: -1590.329 where: short stacking energy: -687.625 Base-Backbone interact. energy: -0.538 local terms energy: -723.633051 where: bonds (distance) C4'-P energy: -126.453 bonds (distance) P-C4' energy: -138.353 flat angles C4'-P-C4' energy: -144.468 flat angles P-C4'-P energy: -99.524 tors. eta vs tors. theta energy: -214.834 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: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2221.998336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.998336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.998336 (E_RNA) where: Base-Base interactions energy: -1536.773 where: short stacking energy: -639.768 Base-Backbone interact. energy: -4.336 local terms energy: -680.889055 where: bonds (distance) C4'-P energy: -115.400 bonds (distance) P-C4' energy: -122.661 flat angles C4'-P-C4' energy: -148.184 flat angles P-C4'-P energy: -94.871 tors. eta vs tors. theta energy: -199.773 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2109.019249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.019249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.019249 (E_RNA) where: Base-Base interactions energy: -1459.498 where: short stacking energy: -605.171 Base-Backbone interact. energy: -2.483 local terms energy: -647.038652 where: bonds (distance) C4'-P energy: -126.765 bonds (distance) P-C4' energy: -116.664 flat angles C4'-P-C4' energy: -144.405 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -166.912 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: 5, replica: 3 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1860.833512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.833512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.833512 (E_RNA) where: Base-Base interactions energy: -1256.053 where: short stacking energy: -513.950 Base-Backbone interact. energy: -2.714 local terms energy: -602.066764 where: bonds (distance) C4'-P energy: -117.866 bonds (distance) P-C4' energy: -122.795 flat angles C4'-P-C4' energy: -138.512 flat angles P-C4'-P energy: -77.143 tors. eta vs tors. theta energy: -145.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1741.248938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.248938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.248938 (E_RNA) where: Base-Base interactions energy: -1140.869 where: short stacking energy: -511.409 Base-Backbone interact. energy: 0.131 local terms energy: -600.511484 where: bonds (distance) C4'-P energy: -115.522 bonds (distance) P-C4' energy: -125.770 flat angles C4'-P-C4' energy: -134.849 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -142.966 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: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1563.443677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.443677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.443677 (E_RNA) where: Base-Base interactions energy: -1042.685 where: short stacking energy: -435.268 Base-Backbone interact. energy: 3.832 local terms energy: -524.591525 where: bonds (distance) C4'-P energy: -110.674 bonds (distance) P-C4' energy: -114.097 flat angles C4'-P-C4' energy: -130.135 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: -115.003 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: 8, replica: 9 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1265.023256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.023256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.023256 (E_RNA) where: Base-Base interactions energy: -782.279 where: short stacking energy: -332.211 Base-Backbone interact. energy: -4.116 local terms energy: -478.628752 where: bonds (distance) C4'-P energy: -114.528 bonds (distance) P-C4' energy: -87.742 flat angles C4'-P-C4' energy: -121.582 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -72.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -939.167981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.167981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.167981 (E_RNA) where: Base-Base interactions energy: -529.423 where: short stacking energy: -287.116 Base-Backbone interact. energy: -1.277 local terms energy: -408.467424 where: bonds (distance) C4'-P energy: -92.205 bonds (distance) P-C4' energy: -115.049 flat angles C4'-P-C4' energy: -108.012 flat angles P-C4'-P energy: -57.507 tors. eta vs tors. theta energy: -35.695 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: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -827.350738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.350738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.350738 (E_RNA) where: Base-Base interactions energy: -472.646 where: short stacking energy: -217.759 Base-Backbone interact. energy: 1.205 local terms energy: -355.909927 where: bonds (distance) C4'-P energy: -92.506 bonds (distance) P-C4' energy: -103.451 flat angles C4'-P-C4' energy: -94.498 flat angles P-C4'-P energy: -55.347 tors. eta vs tors. theta energy: -10.108 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: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2410.915205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.915205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.915205 (E_RNA) where: Base-Base interactions energy: -1671.715 where: short stacking energy: -689.346 Base-Backbone interact. energy: -1.913 local terms energy: -737.287175 where: bonds (distance) C4'-P energy: -123.289 bonds (distance) P-C4' energy: -149.922 flat angles C4'-P-C4' energy: -155.032 flat angles P-C4'-P energy: -107.181 tors. eta vs tors. theta energy: -201.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2329.436601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.436601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.436601 (E_RNA) where: Base-Base interactions energy: -1596.255 where: short stacking energy: -697.563 Base-Backbone interact. energy: -2.409 local terms energy: -730.771883 where: bonds (distance) C4'-P energy: -135.335 bonds (distance) P-C4' energy: -131.901 flat angles C4'-P-C4' energy: -155.302 flat angles P-C4'-P energy: -95.674 tors. eta vs tors. theta energy: -212.561 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: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2232.966351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.966351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.966351 (E_RNA) where: Base-Base interactions energy: -1544.782 where: short stacking energy: -651.113 Base-Backbone interact. energy: -0.289 local terms energy: -687.896233 where: bonds (distance) C4'-P energy: -120.749 bonds (distance) P-C4' energy: -108.486 flat angles C4'-P-C4' energy: -152.757 flat angles P-C4'-P energy: -105.974 tors. eta vs tors. theta energy: -199.929 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: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2070.323853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.323853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.323853 (E_RNA) where: Base-Base interactions energy: -1442.211 where: short stacking energy: -589.502 Base-Backbone interact. energy: -1.784 local terms energy: -626.328757 where: bonds (distance) C4'-P energy: -118.640 bonds (distance) P-C4' energy: -108.516 flat angles C4'-P-C4' energy: -142.557 flat angles P-C4'-P energy: -95.875 tors. eta vs tors. theta energy: -160.742 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: 3 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1855.996275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.996275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.996275 (E_RNA) where: Base-Base interactions energy: -1233.974 where: short stacking energy: -523.470 Base-Backbone interact. energy: -1.615 local terms energy: -620.407232 where: bonds (distance) C4'-P energy: -136.352 bonds (distance) P-C4' energy: -123.114 flat angles C4'-P-C4' energy: -134.025 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -155.059 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: 338 Temperature: 1.150000 Total energy: -1735.819254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.819254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.819254 (E_RNA) where: Base-Base interactions energy: -1164.896 where: short stacking energy: -523.539 Base-Backbone interact. energy: 0.031 local terms energy: -570.954034 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -124.012 flat angles P-C4'-P energy: -75.402 tors. eta vs tors. theta energy: -138.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1556.728588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.728588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.728588 (E_RNA) where: Base-Base interactions energy: -1015.037 where: short stacking energy: -444.542 Base-Backbone interact. energy: -2.508 local terms energy: -539.183714 where: bonds (distance) C4'-P energy: -95.535 bonds (distance) P-C4' energy: -111.128 flat angles C4'-P-C4' energy: -145.429 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -112.770 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: 8, replica: 9 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1253.566586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.566586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.566586 (E_RNA) where: Base-Base interactions energy: -791.888 where: short stacking energy: -375.719 Base-Backbone interact. energy: -4.473 local terms energy: -457.205703 where: bonds (distance) C4'-P energy: -99.439 bonds (distance) P-C4' energy: -114.786 flat angles C4'-P-C4' energy: -114.256 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -72.180 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: 9, replica: 6 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -925.880054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.880054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.880054 (E_RNA) where: Base-Base interactions energy: -507.694 where: short stacking energy: -258.479 Base-Backbone interact. energy: 12.344 local terms energy: -430.529339 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -100.184 flat angles C4'-P-C4' energy: -109.593 flat angles P-C4'-P energy: -79.433 tors. eta vs tors. theta energy: -28.082 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: 10, replica: 4 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -757.972886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.972886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.972886 (E_RNA) where: Base-Base interactions energy: -421.727 where: short stacking energy: -213.944 Base-Backbone interact. energy: 0.242 local terms energy: -336.488392 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -107.451 flat angles C4'-P-C4' energy: -103.612 flat angles P-C4'-P energy: -28.018 tors. eta vs tors. theta energy: -0.153 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: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2342.786626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.786626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.786626 (E_RNA) where: Base-Base interactions energy: -1626.679 where: short stacking energy: -701.298 Base-Backbone interact. energy: -4.217 local terms energy: -711.890757 where: bonds (distance) C4'-P energy: -125.472 bonds (distance) P-C4' energy: -121.835 flat angles C4'-P-C4' energy: -158.761 flat angles P-C4'-P energy: -100.058 tors. eta vs tors. theta energy: -205.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2269.961291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.961291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.961291 (E_RNA) where: Base-Base interactions energy: -1565.708 where: short stacking energy: -673.542 Base-Backbone interact. energy: -3.325 local terms energy: -700.928879 where: bonds (distance) C4'-P energy: -121.415 bonds (distance) P-C4' energy: -134.788 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -207.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2245.537265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.537265 (E_RNA) where: Base-Base interactions energy: -1544.113 where: short stacking energy: -678.603 Base-Backbone interact. energy: 0.486 local terms energy: -701.910032 where: bonds (distance) C4'-P energy: -126.007 bonds (distance) P-C4' energy: -131.854 flat angles C4'-P-C4' energy: -146.533 flat angles P-C4'-P energy: -86.449 tors. eta vs tors. theta energy: -211.067 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: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2030.959161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.959161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.959161 (E_RNA) where: Base-Base interactions energy: -1401.757 where: short stacking energy: -589.104 Base-Backbone interact. energy: 0.712 local terms energy: -629.914998 where: bonds (distance) C4'-P energy: -116.194 bonds (distance) P-C4' energy: -123.105 flat angles C4'-P-C4' energy: -141.033 flat angles P-C4'-P energy: -96.044 tors. eta vs tors. theta energy: -153.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1846.640069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.640069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.640069 (E_RNA) where: Base-Base interactions energy: -1242.411 where: short stacking energy: -556.582 Base-Backbone interact. energy: 0.177 local terms energy: -604.406147 where: bonds (distance) C4'-P energy: -116.215 bonds (distance) P-C4' energy: -116.739 flat angles C4'-P-C4' energy: -114.314 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -160.758 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: 339 Temperature: 1.150000 Total energy: -1743.948587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.948587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.948587 (E_RNA) where: Base-Base interactions energy: -1170.374 where: short stacking energy: -534.408 Base-Backbone interact. energy: -1.748 local terms energy: -571.826628 where: bonds (distance) C4'-P energy: -116.018 bonds (distance) P-C4' energy: -117.349 flat angles C4'-P-C4' energy: -122.412 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -145.206 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: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1544.500822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.500822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.500822 (E_RNA) where: Base-Base interactions energy: -993.024 where: short stacking energy: -427.793 Base-Backbone interact. energy: 4.791 local terms energy: -556.267719 where: bonds (distance) C4'-P energy: -108.331 bonds (distance) P-C4' energy: -112.693 flat angles C4'-P-C4' energy: -134.174 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -105.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1235.675688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.675688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.675688 (E_RNA) where: Base-Base interactions energy: -746.003 where: short stacking energy: -334.177 Base-Backbone interact. energy: -0.133 local terms energy: -489.539177 where: bonds (distance) C4'-P energy: -128.641 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -110.907 flat angles P-C4'-P energy: -72.069 tors. eta vs tors. theta energy: -70.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -928.985259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.985259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.985259 (E_RNA) where: Base-Base interactions energy: -503.459 where: short stacking energy: -287.432 Base-Backbone interact. energy: 0.776 local terms energy: -426.302298 where: bonds (distance) C4'-P energy: -103.280 bonds (distance) P-C4' energy: -99.791 flat angles C4'-P-C4' energy: -110.259 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -42.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -727.526450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.526450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.526450 (E_RNA) where: Base-Base interactions energy: -369.569 where: short stacking energy: -211.790 Base-Backbone interact. energy: 2.424 local terms energy: -360.382225 where: bonds (distance) C4'-P energy: -100.441 bonds (distance) P-C4' energy: -112.824 flat angles C4'-P-C4' energy: -79.749 flat angles P-C4'-P energy: -60.311 tors. eta vs tors. theta energy: -7.057 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: 340 Temperature: 0.900000 Total energy: -2374.769233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.769233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.769233 (E_RNA) where: Base-Base interactions energy: -1624.986 where: short stacking energy: -685.931 Base-Backbone interact. energy: -3.308 local terms energy: -746.475604 where: bonds (distance) C4'-P energy: -125.129 bonds (distance) P-C4' energy: -134.348 flat angles C4'-P-C4' energy: -160.997 flat angles P-C4'-P energy: -113.120 tors. eta vs tors. theta energy: -212.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2309.346044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.346044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.346044 (E_RNA) where: Base-Base interactions energy: -1611.551 where: short stacking energy: -674.668 Base-Backbone interact. energy: -3.234 local terms energy: -694.561516 where: bonds (distance) C4'-P energy: -124.752 bonds (distance) P-C4' energy: -125.234 flat angles C4'-P-C4' energy: -154.473 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -199.386 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: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2246.097844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.097844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.097844 (E_RNA) where: Base-Base interactions energy: -1537.494 where: short stacking energy: -688.161 Base-Backbone interact. energy: -3.471 local terms energy: -705.132834 where: bonds (distance) C4'-P energy: -129.837 bonds (distance) P-C4' energy: -113.417 flat angles C4'-P-C4' energy: -147.826 flat angles P-C4'-P energy: -99.773 tors. eta vs tors. theta energy: -214.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2053.407962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.407962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.407962 (E_RNA) where: Base-Base interactions energy: -1429.584 where: short stacking energy: -603.955 Base-Backbone interact. energy: -1.604 local terms energy: -622.220316 where: bonds (distance) C4'-P energy: -123.575 bonds (distance) P-C4' energy: -110.596 flat angles C4'-P-C4' energy: -129.171 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -177.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1854.509401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.509401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.509401 (E_RNA) where: Base-Base interactions energy: -1240.332 where: short stacking energy: -536.901 Base-Backbone interact. energy: -5.619 local terms energy: -608.559282 where: bonds (distance) C4'-P energy: -117.082 bonds (distance) P-C4' energy: -119.175 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -96.556 tors. eta vs tors. theta energy: -143.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1766.427353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.427353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.427353 (E_RNA) where: Base-Base interactions energy: -1153.107 where: short stacking energy: -500.843 Base-Backbone interact. energy: -3.180 local terms energy: -610.140374 where: bonds (distance) C4'-P energy: -124.278 bonds (distance) P-C4' energy: -114.289 flat angles C4'-P-C4' energy: -129.049 flat angles P-C4'-P energy: -90.050 tors. eta vs tors. theta energy: -152.474 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: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1523.501530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.501530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.501530 (E_RNA) where: Base-Base interactions energy: -1002.933 where: short stacking energy: -455.962 Base-Backbone interact. energy: -1.313 local terms energy: -519.256290 where: bonds (distance) C4'-P energy: -89.557 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -123.813 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -119.706 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: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1289.036702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.036702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.036702 (E_RNA) where: Base-Base interactions energy: -792.483 where: short stacking energy: -386.884 Base-Backbone interact. energy: 2.041 local terms energy: -498.594418 where: bonds (distance) C4'-P energy: -113.430 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -119.572 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -74.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -867.660243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.660243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.660243 (E_RNA) where: Base-Base interactions energy: -454.180 where: short stacking energy: -255.155 Base-Backbone interact. energy: 1.753 local terms energy: -415.234017 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -123.649 flat angles C4'-P-C4' energy: -106.177 flat angles P-C4'-P energy: -65.167 tors. eta vs tors. theta energy: -22.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -758.091222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.091222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.091222 (E_RNA) where: Base-Base interactions energy: -427.141 where: short stacking energy: -227.145 Base-Backbone interact. energy: 2.508 local terms energy: -333.458582 where: bonds (distance) C4'-P energy: -88.108 bonds (distance) P-C4' energy: -105.725 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -44.938 tors. eta vs tors. theta energy: -14.178 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: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2353.873202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.873202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.873202 (E_RNA) where: Base-Base interactions energy: -1611.106 where: short stacking energy: -687.377 Base-Backbone interact. energy: -1.765 local terms energy: -741.002368 where: bonds (distance) C4'-P energy: -136.667 bonds (distance) P-C4' energy: -132.145 flat angles C4'-P-C4' energy: -158.672 flat angles P-C4'-P energy: -97.200 tors. eta vs tors. theta energy: -216.319 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: 341 Temperature: 0.950000 Total energy: -2344.270497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.270497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.270497 (E_RNA) where: Base-Base interactions energy: -1615.574 where: short stacking energy: -686.314 Base-Backbone interact. energy: -2.289 local terms energy: -726.408132 where: bonds (distance) C4'-P energy: -133.109 bonds (distance) P-C4' energy: -128.543 flat angles C4'-P-C4' energy: -147.602 flat angles P-C4'-P energy: -112.841 tors. eta vs tors. theta energy: -204.314 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: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2252.250470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.250470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.250470 (E_RNA) where: Base-Base interactions energy: -1543.473 where: short stacking energy: -667.810 Base-Backbone interact. energy: -2.608 local terms energy: -706.169911 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -135.724 flat angles C4'-P-C4' energy: -150.959 flat angles P-C4'-P energy: -101.559 tors. eta vs tors. theta energy: -200.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2077.839954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.839954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.839954 (E_RNA) where: Base-Base interactions energy: -1430.840 where: short stacking energy: -604.437 Base-Backbone interact. energy: 3.667 local terms energy: -650.667018 where: bonds (distance) C4'-P energy: -118.953 bonds (distance) P-C4' energy: -117.877 flat angles C4'-P-C4' energy: -136.433 flat angles P-C4'-P energy: -97.560 tors. eta vs tors. theta energy: -179.844 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: 3 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1931.889492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.889492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.889492 (E_RNA) where: Base-Base interactions energy: -1301.434 where: short stacking energy: -558.333 Base-Backbone interact. energy: 3.355 local terms energy: -633.810853 where: bonds (distance) C4'-P energy: -113.154 bonds (distance) P-C4' energy: -121.440 flat angles C4'-P-C4' energy: -153.132 flat angles P-C4'-P energy: -94.846 tors. eta vs tors. theta energy: -151.239 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: 341 Temperature: 1.150000 Total energy: -1742.407930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.407930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.407930 (E_RNA) where: Base-Base interactions energy: -1168.617 where: short stacking energy: -516.241 Base-Backbone interact. energy: -0.669 local terms energy: -573.121510 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -123.262 flat angles C4'-P-C4' energy: -124.018 flat angles P-C4'-P energy: -83.119 tors. eta vs tors. theta energy: -147.793 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: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1464.357926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.357926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.357926 (E_RNA) where: Base-Base interactions energy: -929.418 where: short stacking energy: -411.018 Base-Backbone interact. energy: -3.529 local terms energy: -531.411514 where: bonds (distance) C4'-P energy: -124.721 bonds (distance) P-C4' energy: -110.591 flat angles C4'-P-C4' energy: -124.759 flat angles P-C4'-P energy: -72.514 tors. eta vs tors. theta energy: -98.826 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: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1264.281635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.281635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.281635 (E_RNA) where: Base-Base interactions energy: -813.794 where: short stacking energy: -385.311 Base-Backbone interact. energy: 3.411 local terms energy: -453.898750 where: bonds (distance) C4'-P energy: -100.317 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -106.148 flat angles P-C4'-P energy: -60.634 tors. eta vs tors. theta energy: -65.284 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: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -879.501482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.501482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.501482 (E_RNA) where: Base-Base interactions energy: -472.524 where: short stacking energy: -258.849 Base-Backbone interact. energy: -1.891 local terms energy: -405.085751 where: bonds (distance) C4'-P energy: -106.484 bonds (distance) P-C4' energy: -104.768 flat angles C4'-P-C4' energy: -95.175 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -24.015 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: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -723.096479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.096479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.096479 (E_RNA) where: Base-Base interactions energy: -378.556 where: short stacking energy: -215.679 Base-Backbone interact. energy: -1.034 local terms energy: -343.506338 where: bonds (distance) C4'-P energy: -94.139 bonds (distance) P-C4' energy: -111.771 flat angles C4'-P-C4' energy: -90.917 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -2.847 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: 342 Temperature: 0.900000 Total energy: -2358.192862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.192862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.192862 (E_RNA) where: Base-Base interactions energy: -1606.893 where: short stacking energy: -673.295 Base-Backbone interact. energy: 0.092 local terms energy: -751.391604 where: bonds (distance) C4'-P energy: -140.808 bonds (distance) P-C4' energy: -139.722 flat angles C4'-P-C4' energy: -156.304 flat angles P-C4'-P energy: -105.609 tors. eta vs tors. theta energy: -208.949 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: 342 Temperature: 0.950000 Total energy: -2345.909229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.909229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.909229 (E_RNA) where: Base-Base interactions energy: -1661.376 where: short stacking energy: -694.243 Base-Backbone interact. energy: 8.552 local terms energy: -693.085186 where: bonds (distance) C4'-P energy: -96.399 bonds (distance) P-C4' energy: -132.685 flat angles C4'-P-C4' energy: -149.087 flat angles P-C4'-P energy: -103.097 tors. eta vs tors. theta energy: -211.817 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: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2262.488355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.488355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.488355 (E_RNA) where: Base-Base interactions energy: -1589.937 where: short stacking energy: -687.885 Base-Backbone interact. energy: 3.478 local terms energy: -676.029867 where: bonds (distance) C4'-P energy: -99.947 bonds (distance) P-C4' energy: -126.542 flat angles C4'-P-C4' energy: -148.593 flat angles P-C4'-P energy: -90.993 tors. eta vs tors. theta energy: -209.954 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: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2059.586216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.586216 (E_RNA) where: Base-Base interactions energy: -1430.505 where: short stacking energy: -612.085 Base-Backbone interact. energy: -5.221 local terms energy: -623.859958 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -118.719 flat angles C4'-P-C4' energy: -143.586 flat angles P-C4'-P energy: -82.988 tors. eta vs tors. theta energy: -166.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1917.504852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.504852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.504852 (E_RNA) where: Base-Base interactions energy: -1310.249 where: short stacking energy: -548.070 Base-Backbone interact. energy: -2.505 local terms energy: -604.751287 where: bonds (distance) C4'-P energy: -119.673 bonds (distance) P-C4' energy: -138.963 flat angles C4'-P-C4' energy: -126.930 flat angles P-C4'-P energy: -77.383 tors. eta vs tors. theta energy: -141.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1751.881107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.881107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.881107 (E_RNA) where: Base-Base interactions energy: -1177.989 where: short stacking energy: -518.746 Base-Backbone interact. energy: 1.148 local terms energy: -575.039760 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -109.931 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -72.928 tors. eta vs tors. theta energy: -135.473 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: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1468.170895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.170895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.170895 (E_RNA) where: Base-Base interactions energy: -948.247 where: short stacking energy: -433.079 Base-Backbone interact. energy: 0.271 local terms energy: -520.195354 where: bonds (distance) C4'-P energy: -102.702 bonds (distance) P-C4' energy: -112.101 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -77.968 tors. eta vs tors. theta energy: -105.785 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: 8, replica: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1282.041136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.041136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.041136 (E_RNA) where: Base-Base interactions energy: -810.904 where: short stacking energy: -348.688 Base-Backbone interact. energy: -4.669 local terms energy: -466.467788 where: bonds (distance) C4'-P energy: -101.664 bonds (distance) P-C4' energy: -119.966 flat angles C4'-P-C4' energy: -99.987 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -76.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -857.712354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.712354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.712354 (E_RNA) where: Base-Base interactions energy: -453.729 where: short stacking energy: -231.885 Base-Backbone interact. energy: 3.248 local terms energy: -407.231450 where: bonds (distance) C4'-P energy: -107.067 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -102.039 flat angles P-C4'-P energy: -69.522 tors. eta vs tors. theta energy: -14.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -739.130401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.130401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.130401 (E_RNA) where: Base-Base interactions energy: -414.775 where: short stacking energy: -215.690 Base-Backbone interact. energy: 1.365 local terms energy: -325.720383 where: bonds (distance) C4'-P energy: -77.313 bonds (distance) P-C4' energy: -124.756 flat angles C4'-P-C4' energy: -88.478 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: 15.745 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: 1 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2375.717579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.717579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.717579 (E_RNA) where: Base-Base interactions energy: -1646.087 where: short stacking energy: -693.684 Base-Backbone interact. energy: 0.769 local terms energy: -730.399645 where: bonds (distance) C4'-P energy: -132.615 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -95.495 tors. eta vs tors. theta energy: -209.542 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: 7 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2339.936248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.936248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.936248 (E_RNA) where: Base-Base interactions energy: -1614.646 where: short stacking energy: -680.587 Base-Backbone interact. energy: -0.322 local terms energy: -724.968227 where: bonds (distance) C4'-P energy: -125.529 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -156.134 flat angles P-C4'-P energy: -105.145 tors. eta vs tors. theta energy: -213.007 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: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2217.956692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.956692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.956692 (E_RNA) where: Base-Base interactions energy: -1547.128 where: short stacking energy: -667.080 Base-Backbone interact. energy: -4.126 local terms energy: -666.703193 where: bonds (distance) C4'-P energy: -132.850 bonds (distance) P-C4' energy: -96.354 flat angles C4'-P-C4' energy: -146.805 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -192.831 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: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2069.457660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.457660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.457660 (E_RNA) where: Base-Base interactions energy: -1429.523 where: short stacking energy: -596.618 Base-Backbone interact. energy: -1.392 local terms energy: -638.542263 where: bonds (distance) C4'-P energy: -112.772 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -131.581 flat angles P-C4'-P energy: -79.447 tors. eta vs tors. theta energy: -174.258 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: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1910.710368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.710368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.710368 (E_RNA) where: Base-Base interactions energy: -1301.811 where: short stacking energy: -539.420 Base-Backbone interact. energy: -4.664 local terms energy: -604.235188 where: bonds (distance) C4'-P energy: -108.504 bonds (distance) P-C4' energy: -107.108 flat angles C4'-P-C4' energy: -132.884 flat angles P-C4'-P energy: -89.176 tors. eta vs tors. theta energy: -166.564 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: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1724.941202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.941202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.941202 (E_RNA) where: Base-Base interactions energy: -1164.230 where: short stacking energy: -512.803 Base-Backbone interact. energy: -2.739 local terms energy: -557.972185 where: bonds (distance) C4'-P energy: -102.598 bonds (distance) P-C4' energy: -117.856 flat angles C4'-P-C4' energy: -136.460 flat angles P-C4'-P energy: -70.176 tors. eta vs tors. theta energy: -130.882 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: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1465.988770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.988770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.988770 (E_RNA) where: Base-Base interactions energy: -978.995 where: short stacking energy: -444.195 Base-Backbone interact. energy: 3.160 local terms energy: -490.153877 where: bonds (distance) C4'-P energy: -103.997 bonds (distance) P-C4' energy: -109.759 flat angles C4'-P-C4' energy: -127.759 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -86.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1336.805586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.805586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.805586 (E_RNA) where: Base-Base interactions energy: -836.308 where: short stacking energy: -389.788 Base-Backbone interact. energy: -2.671 local terms energy: -497.827281 where: bonds (distance) C4'-P energy: -121.392 bonds (distance) P-C4' energy: -111.217 flat angles C4'-P-C4' energy: -110.993 flat angles P-C4'-P energy: -64.704 tors. eta vs tors. theta energy: -89.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -854.688777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.688777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.688777 (E_RNA) where: Base-Base interactions energy: -471.298 where: short stacking energy: -266.131 Base-Backbone interact. energy: 2.578 local terms energy: -385.968984 where: bonds (distance) C4'-P energy: -119.581 bonds (distance) P-C4' energy: -105.488 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -9.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -657.577834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.577834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.577834 (E_RNA) where: Base-Base interactions energy: -315.708 where: short stacking energy: -164.988 Base-Backbone interact. energy: -3.800 local terms energy: -338.070076 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -99.048 flat angles C4'-P-C4' energy: -97.069 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: 23.772 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: 1 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2392.328038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.328038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.328038 (E_RNA) where: Base-Base interactions energy: -1625.866 where: short stacking energy: -693.865 Base-Backbone interact. energy: -0.984 local terms energy: -765.478156 where: bonds (distance) C4'-P energy: -138.711 bonds (distance) P-C4' energy: -145.434 flat angles C4'-P-C4' energy: -156.530 flat angles P-C4'-P energy: -114.002 tors. eta vs tors. theta energy: -210.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2340.251332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.251332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.251332 (E_RNA) where: Base-Base interactions energy: -1631.234 where: short stacking energy: -699.971 Base-Backbone interact. energy: -0.461 local terms energy: -708.556798 where: bonds (distance) C4'-P energy: -130.377 bonds (distance) P-C4' energy: -120.376 flat angles C4'-P-C4' energy: -148.893 flat angles P-C4'-P energy: -100.478 tors. eta vs tors. theta energy: -208.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2224.361182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.361182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.361182 (E_RNA) where: Base-Base interactions energy: -1552.846 where: short stacking energy: -679.989 Base-Backbone interact. energy: -3.637 local terms energy: -667.877899 where: bonds (distance) C4'-P energy: -129.253 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -92.877 tors. eta vs tors. theta energy: -206.923 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: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2090.787343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.787343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.787343 (E_RNA) where: Base-Base interactions energy: -1453.284 where: short stacking energy: -609.157 Base-Backbone interact. energy: -2.552 local terms energy: -634.951060 where: bonds (distance) C4'-P energy: -104.354 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -135.929 flat angles P-C4'-P energy: -92.703 tors. eta vs tors. theta energy: -187.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1904.401810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.401810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.401810 (E_RNA) where: Base-Base interactions energy: -1288.111 where: short stacking energy: -549.117 Base-Backbone interact. energy: -1.858 local terms energy: -614.433146 where: bonds (distance) C4'-P energy: -118.805 bonds (distance) P-C4' energy: -119.965 flat angles C4'-P-C4' energy: -138.109 flat angles P-C4'-P energy: -89.730 tors. eta vs tors. theta energy: -147.824 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: 344 Temperature: 1.150000 Total energy: -1767.193123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.193123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.193123 (E_RNA) where: Base-Base interactions energy: -1194.265 where: short stacking energy: -509.806 Base-Backbone interact. energy: -0.972 local terms energy: -571.956381 where: bonds (distance) C4'-P energy: -101.212 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -116.682 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -146.219 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: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1571.472480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.472480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.472480 (E_RNA) where: Base-Base interactions energy: -1025.277 where: short stacking energy: -443.979 Base-Backbone interact. energy: -0.663 local terms energy: -545.532063 where: bonds (distance) C4'-P energy: -116.169 bonds (distance) P-C4' energy: -106.611 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -76.474 tors. eta vs tors. theta energy: -121.375 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: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1365.353888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.353888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.353888 (E_RNA) where: Base-Base interactions energy: -879.272 where: short stacking energy: -415.977 Base-Backbone interact. energy: -1.465 local terms energy: -484.616777 where: bonds (distance) C4'-P energy: -98.111 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -79.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -902.474745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.474745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.474745 (E_RNA) where: Base-Base interactions energy: -513.273 where: short stacking energy: -277.897 Base-Backbone interact. energy: 3.502 local terms energy: -392.704222 where: bonds (distance) C4'-P energy: -83.161 bonds (distance) P-C4' energy: -110.855 flat angles C4'-P-C4' energy: -111.088 flat angles P-C4'-P energy: -63.875 tors. eta vs tors. theta energy: -23.725 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: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -670.833130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.833130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.833130 (E_RNA) where: Base-Base interactions energy: -324.109 where: short stacking energy: -188.314 Base-Backbone interact. energy: -0.108 local terms energy: -346.616223 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -91.841 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: 1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2368.733239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.733239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.733239 (E_RNA) where: Base-Base interactions energy: -1632.665 where: short stacking energy: -681.914 Base-Backbone interact. energy: -0.532 local terms energy: -735.535733 where: bonds (distance) C4'-P energy: -122.629 bonds (distance) P-C4' energy: -129.966 flat angles C4'-P-C4' energy: -162.800 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -219.390 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: 7 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2363.115770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.115770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.115770 (E_RNA) where: Base-Base interactions energy: -1640.220 where: short stacking energy: -695.900 Base-Backbone interact. energy: -3.780 local terms energy: -719.116660 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -121.827 flat angles C4'-P-C4' energy: -159.655 flat angles P-C4'-P energy: -104.216 tors. eta vs tors. theta energy: -210.431 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: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2230.108390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.108390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.108390 (E_RNA) where: Base-Base interactions energy: -1549.616 where: short stacking energy: -661.823 Base-Backbone interact. energy: -2.696 local terms energy: -677.796186 where: bonds (distance) C4'-P energy: -113.643 bonds (distance) P-C4' energy: -117.393 flat angles C4'-P-C4' energy: -152.719 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -192.555 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: 4, replica: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2115.467309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.467309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.467309 (E_RNA) where: Base-Base interactions energy: -1478.342 where: short stacking energy: -602.502 Base-Backbone interact. energy: -2.756 local terms energy: -634.369386 where: bonds (distance) C4'-P energy: -109.908 bonds (distance) P-C4' energy: -129.177 flat angles C4'-P-C4' energy: -133.658 flat angles P-C4'-P energy: -93.443 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: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1849.703932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.703932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.703932 (E_RNA) where: Base-Base interactions energy: -1245.206 where: short stacking energy: -529.768 Base-Backbone interact. energy: -1.994 local terms energy: -602.503384 where: bonds (distance) C4'-P energy: -131.866 bonds (distance) P-C4' energy: -119.016 flat angles C4'-P-C4' energy: -136.978 flat angles P-C4'-P energy: -74.587 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: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1737.169522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.169522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.169522 (E_RNA) where: Base-Base interactions energy: -1180.763 where: short stacking energy: -512.384 Base-Backbone interact. energy: 3.955 local terms energy: -560.361108 where: bonds (distance) C4'-P energy: -123.148 bonds (distance) P-C4' energy: -81.118 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -98.625 tors. eta vs tors. theta energy: -138.446 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: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1573.998404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.998404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.998404 (E_RNA) where: Base-Base interactions energy: -1047.862 where: short stacking energy: -445.968 Base-Backbone interact. energy: 1.124 local terms energy: -527.260419 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -116.642 flat angles C4'-P-C4' energy: -106.337 flat angles P-C4'-P energy: -74.613 tors. eta vs tors. theta energy: -118.180 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: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1320.728635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.728635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.728635 (E_RNA) where: Base-Base interactions energy: -848.769 where: short stacking energy: -381.410 Base-Backbone interact. energy: -0.252 local terms energy: -471.707619 where: bonds (distance) C4'-P energy: -132.101 bonds (distance) P-C4' energy: -98.739 flat angles C4'-P-C4' energy: -85.784 flat angles P-C4'-P energy: -83.388 tors. eta vs tors. theta energy: -71.696 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: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -973.240453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.240453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.240453 (E_RNA) where: Base-Base interactions energy: -557.315 where: short stacking energy: -284.578 Base-Backbone interact. energy: -1.538 local terms energy: -414.387454 where: bonds (distance) C4'-P energy: -101.521 bonds (distance) P-C4' energy: -113.721 flat angles C4'-P-C4' energy: -100.882 flat angles P-C4'-P energy: -68.647 tors. eta vs tors. theta energy: -29.616 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: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -697.827306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.827306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.827306 (E_RNA) where: Base-Base interactions energy: -334.486 where: short stacking energy: -194.176 Base-Backbone interact. energy: 6.728 local terms energy: -370.069543 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -111.249 flat angles C4'-P-C4' energy: -96.287 flat angles P-C4'-P energy: -68.446 tors. eta vs tors. theta energy: 3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2376.382296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.382296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.382296 (E_RNA) where: Base-Base interactions energy: -1654.592 where: short stacking energy: -709.477 Base-Backbone interact. energy: -2.931 local terms energy: -718.859693 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -123.407 flat angles C4'-P-C4' energy: -165.860 flat angles P-C4'-P energy: -92.879 tors. eta vs tors. theta energy: -211.527 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: 7 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2367.204818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.204818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.204818 (E_RNA) where: Base-Base interactions energy: -1659.378 where: short stacking energy: -680.894 Base-Backbone interact. energy: -4.044 local terms energy: -703.782710 where: bonds (distance) C4'-P energy: -118.985 bonds (distance) P-C4' energy: -129.744 flat angles C4'-P-C4' energy: -146.714 flat angles P-C4'-P energy: -98.651 tors. eta vs tors. theta energy: -209.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2198.605752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.605752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.605752 (E_RNA) where: Base-Base interactions energy: -1506.253 where: short stacking energy: -664.111 Base-Backbone interact. energy: -7.091 local terms energy: -685.261677 where: bonds (distance) C4'-P energy: -114.788 bonds (distance) P-C4' energy: -119.467 flat angles C4'-P-C4' energy: -153.986 flat angles P-C4'-P energy: -96.978 tors. eta vs tors. theta energy: -200.043 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: 4, replica: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2121.688201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.688201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.688201 (E_RNA) where: Base-Base interactions energy: -1478.523 where: short stacking energy: -612.776 Base-Backbone interact. energy: -1.718 local terms energy: -641.447830 where: bonds (distance) C4'-P energy: -126.009 bonds (distance) P-C4' energy: -121.882 flat angles C4'-P-C4' energy: -137.031 flat angles P-C4'-P energy: -83.347 tors. eta vs tors. theta energy: -173.178 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: 5, replica: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1909.846179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.846179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.846179 (E_RNA) where: Base-Base interactions energy: -1302.102 where: short stacking energy: -536.483 Base-Backbone interact. energy: 4.029 local terms energy: -611.772785 where: bonds (distance) C4'-P energy: -110.588 bonds (distance) P-C4' energy: -130.795 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -89.861 tors. eta vs tors. theta energy: -151.307 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: 346 Temperature: 1.150000 Total energy: -1786.252658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.252658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.252658 (E_RNA) where: Base-Base interactions energy: -1194.569 where: short stacking energy: -529.338 Base-Backbone interact. energy: -0.943 local terms energy: -590.740226 where: bonds (distance) C4'-P energy: -94.963 bonds (distance) P-C4' energy: -127.306 flat angles C4'-P-C4' energy: -117.536 flat angles P-C4'-P energy: -97.274 tors. eta vs tors. theta energy: -153.662 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: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1555.544701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.544701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.544701 (E_RNA) where: Base-Base interactions energy: -1017.253 where: short stacking energy: -449.462 Base-Backbone interact. energy: -0.378 local terms energy: -537.914040 where: bonds (distance) C4'-P energy: -121.291 bonds (distance) P-C4' energy: -124.223 flat angles C4'-P-C4' energy: -117.613 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -104.972 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: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1251.076055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.076055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.076055 (E_RNA) where: Base-Base interactions energy: -771.816 where: short stacking energy: -343.497 Base-Backbone interact. energy: -0.788 local terms energy: -478.472160 where: bonds (distance) C4'-P energy: -104.223 bonds (distance) P-C4' energy: -116.777 flat angles C4'-P-C4' energy: -124.214 flat angles P-C4'-P energy: -67.756 tors. eta vs tors. theta energy: -65.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -992.390218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.390218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.390218 (E_RNA) where: Base-Base interactions energy: -611.005 where: short stacking energy: -312.897 Base-Backbone interact. energy: 2.604 local terms energy: -383.988711 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -98.371 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -31.508 tors. eta vs tors. theta energy: -39.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -661.874276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.874276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.874276 (E_RNA) where: Base-Base interactions energy: -325.201 where: short stacking energy: -170.875 Base-Backbone interact. energy: 1.593 local terms energy: -338.265859 where: bonds (distance) C4'-P energy: -91.410 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -91.577 flat angles P-C4'-P energy: -62.041 tors. eta vs tors. theta energy: 20.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2358.707591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.707591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.707591 (E_RNA) where: Base-Base interactions energy: -1602.827 where: short stacking energy: -708.156 Base-Backbone interact. energy: -5.061 local terms energy: -750.819500 where: bonds (distance) C4'-P energy: -134.849 bonds (distance) P-C4' energy: -131.284 flat angles C4'-P-C4' energy: -152.513 flat angles P-C4'-P energy: -109.194 tors. eta vs tors. theta energy: -222.979 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: 347 Temperature: 0.950000 Total energy: -2355.803311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.803311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.803311 (E_RNA) where: Base-Base interactions energy: -1623.695 where: short stacking energy: -679.408 Base-Backbone interact. energy: 2.695 local terms energy: -734.803423 where: bonds (distance) C4'-P energy: -128.105 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -155.369 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -209.696 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: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2200.812732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.812732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.812732 (E_RNA) where: Base-Base interactions energy: -1509.004 where: short stacking energy: -660.204 Base-Backbone interact. energy: -1.879 local terms energy: -689.929842 where: bonds (distance) C4'-P energy: -117.958 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -151.786 flat angles P-C4'-P energy: -88.269 tors. eta vs tors. theta energy: -207.149 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: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2149.894971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.894971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.894971 (E_RNA) where: Base-Base interactions energy: -1474.040 where: short stacking energy: -615.797 Base-Backbone interact. energy: -1.242 local terms energy: -674.612822 where: bonds (distance) C4'-P energy: -124.673 bonds (distance) P-C4' energy: -130.720 flat angles C4'-P-C4' energy: -135.703 flat angles P-C4'-P energy: -94.094 tors. eta vs tors. theta energy: -189.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1929.645692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.645692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.645692 (E_RNA) where: Base-Base interactions energy: -1302.412 where: short stacking energy: -571.294 Base-Backbone interact. energy: -0.033 local terms energy: -627.200875 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -135.670 flat angles C4'-P-C4' energy: -131.001 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -157.255 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: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1773.126707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.126707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.126707 (E_RNA) where: Base-Base interactions energy: -1234.530 where: short stacking energy: -483.973 Base-Backbone interact. energy: -2.101 local terms energy: -536.495443 where: bonds (distance) C4'-P energy: -84.410 bonds (distance) P-C4' energy: -116.452 flat angles C4'-P-C4' energy: -125.044 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -127.393 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1526.682409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.682409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.682409 (E_RNA) where: Base-Base interactions energy: -999.977 where: short stacking energy: -427.127 Base-Backbone interact. energy: -0.208 local terms energy: -526.497261 where: bonds (distance) C4'-P energy: -110.681 bonds (distance) P-C4' energy: -107.296 flat angles C4'-P-C4' energy: -122.865 flat angles P-C4'-P energy: -84.123 tors. eta vs tors. theta energy: -101.533 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: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1228.093805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.093805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.093805 (E_RNA) where: Base-Base interactions energy: -745.320 where: short stacking energy: -354.641 Base-Backbone interact. energy: -2.084 local terms energy: -480.689815 where: bonds (distance) C4'-P energy: -98.921 bonds (distance) P-C4' energy: -122.749 flat angles C4'-P-C4' energy: -106.942 flat angles P-C4'-P energy: -82.960 tors. eta vs tors. theta energy: -69.118 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: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1016.823475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.823475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.823475 (E_RNA) where: Base-Base interactions energy: -564.504 where: short stacking energy: -282.337 Base-Backbone interact. energy: -3.994 local terms energy: -448.325581 where: bonds (distance) C4'-P energy: -105.616 bonds (distance) P-C4' energy: -133.768 flat angles C4'-P-C4' energy: -107.677 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -25.633 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: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -666.471692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.471692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.471692 (E_RNA) where: Base-Base interactions energy: -351.040 where: short stacking energy: -196.353 Base-Backbone interact. energy: -0.945 local terms energy: -314.487171 where: bonds (distance) C4'-P energy: -89.854 bonds (distance) P-C4' energy: -114.788 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: 10.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2377.407751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.407751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.407751 (E_RNA) where: Base-Base interactions energy: -1635.464 where: short stacking energy: -701.150 Base-Backbone interact. energy: -3.049 local terms energy: -738.895214 where: bonds (distance) C4'-P energy: -127.144 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -161.478 flat angles P-C4'-P energy: -98.793 tors. eta vs tors. theta energy: -210.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2314.483349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.483349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.483349 (E_RNA) where: Base-Base interactions energy: -1588.083 where: short stacking energy: -671.338 Base-Backbone interact. energy: -2.146 local terms energy: -724.254032 where: bonds (distance) C4'-P energy: -133.793 bonds (distance) P-C4' energy: -143.026 flat angles C4'-P-C4' energy: -149.107 flat angles P-C4'-P energy: -98.119 tors. eta vs tors. theta energy: -200.209 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: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2199.418930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.418930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.418930 (E_RNA) where: Base-Base interactions energy: -1501.439 where: short stacking energy: -657.889 Base-Backbone interact. energy: -4.437 local terms energy: -693.543075 where: bonds (distance) C4'-P energy: -121.953 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -153.069 flat angles P-C4'-P energy: -89.974 tors. eta vs tors. theta energy: -198.390 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: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2157.944563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.944563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.944563 (E_RNA) where: Base-Base interactions energy: -1498.753 where: short stacking energy: -613.862 Base-Backbone interact. energy: -3.092 local terms energy: -656.100406 where: bonds (distance) C4'-P energy: -109.825 bonds (distance) P-C4' energy: -129.427 flat angles C4'-P-C4' energy: -147.092 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -175.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1872.840279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.840279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.840279 (E_RNA) where: Base-Base interactions energy: -1278.795 where: short stacking energy: -522.396 Base-Backbone interact. energy: -1.995 local terms energy: -592.049867 where: bonds (distance) C4'-P energy: -109.072 bonds (distance) P-C4' energy: -102.572 flat angles C4'-P-C4' energy: -135.069 flat angles P-C4'-P energy: -86.856 tors. eta vs tors. theta energy: -158.481 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: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1738.402505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.402505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.402505 (E_RNA) where: Base-Base interactions energy: -1157.101 where: short stacking energy: -488.478 Base-Backbone interact. energy: -1.773 local terms energy: -579.528417 where: bonds (distance) C4'-P energy: -111.128 bonds (distance) P-C4' energy: -127.261 flat angles C4'-P-C4' energy: -124.207 flat angles P-C4'-P energy: -89.464 tors. eta vs tors. theta energy: -127.469 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: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1564.329351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.329351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.329351 (E_RNA) where: Base-Base interactions energy: -1047.274 where: short stacking energy: -487.721 Base-Backbone interact. energy: -0.016 local terms energy: -517.039022 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -126.144 flat angles P-C4'-P energy: -78.421 tors. eta vs tors. theta energy: -113.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1200.389301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.389301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.389301 (E_RNA) where: Base-Base interactions energy: -743.478 where: short stacking energy: -319.759 Base-Backbone interact. energy: 2.515 local terms energy: -459.426748 where: bonds (distance) C4'-P energy: -115.514 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: -57.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -956.896366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.896366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.896366 (E_RNA) where: Base-Base interactions energy: -515.056 where: short stacking energy: -265.786 Base-Backbone interact. energy: -1.616 local terms energy: -440.224573 where: bonds (distance) C4'-P energy: -96.207 bonds (distance) P-C4' energy: -113.824 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -39.661 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: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -700.651989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.651989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.651989 (E_RNA) where: Base-Base interactions energy: -344.137 where: short stacking energy: -182.718 Base-Backbone interact. energy: 0.506 local terms energy: -357.020732 where: bonds (distance) C4'-P energy: -95.640 bonds (distance) P-C4' energy: -115.133 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -61.792 tors. eta vs tors. theta energy: 7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2362.670349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.670349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.670349 (E_RNA) where: Base-Base interactions energy: -1647.283 where: short stacking energy: -678.476 Base-Backbone interact. energy: -2.321 local terms energy: -713.066490 where: bonds (distance) C4'-P energy: -121.905 bonds (distance) P-C4' energy: -114.429 flat angles C4'-P-C4' energy: -154.519 flat angles P-C4'-P energy: -111.710 tors. eta vs tors. theta energy: -210.503 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2334.349650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.349650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.349650 (E_RNA) where: Base-Base interactions energy: -1608.318 where: short stacking energy: -666.166 Base-Backbone interact. energy: -1.370 local terms energy: -724.661491 where: bonds (distance) C4'-P energy: -128.458 bonds (distance) P-C4' energy: -134.061 flat angles C4'-P-C4' energy: -147.758 flat angles P-C4'-P energy: -105.198 tors. eta vs tors. theta energy: -209.187 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: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2198.824831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.824831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.824831 (E_RNA) where: Base-Base interactions energy: -1510.572 where: short stacking energy: -670.133 Base-Backbone interact. energy: -3.980 local terms energy: -684.273114 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -120.508 flat angles C4'-P-C4' energy: -133.059 flat angles P-C4'-P energy: -97.864 tors. eta vs tors. theta energy: -200.995 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: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2150.700871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.700871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.700871 (E_RNA) where: Base-Base interactions energy: -1463.504 where: short stacking energy: -591.744 Base-Backbone interact. energy: -0.328 local terms energy: -686.869183 where: bonds (distance) C4'-P energy: -128.008 bonds (distance) P-C4' energy: -121.693 flat angles C4'-P-C4' energy: -149.287 flat angles P-C4'-P energy: -102.196 tors. eta vs tors. theta energy: -185.685 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: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1884.653790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.653790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.653790 (E_RNA) where: Base-Base interactions energy: -1295.266 where: short stacking energy: -560.718 Base-Backbone interact. energy: 1.268 local terms energy: -590.655515 where: bonds (distance) C4'-P energy: -101.112 bonds (distance) P-C4' energy: -111.881 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -155.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1645.733132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.733132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.733132 (E_RNA) where: Base-Base interactions energy: -1112.199 where: short stacking energy: -496.099 Base-Backbone interact. energy: 3.197 local terms energy: -536.730916 where: bonds (distance) C4'-P energy: -96.866 bonds (distance) P-C4' energy: -127.551 flat angles C4'-P-C4' energy: -127.843 flat angles P-C4'-P energy: -62.793 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: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1527.891471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.891471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.891471 (E_RNA) where: Base-Base interactions energy: -1015.555 where: short stacking energy: -457.204 Base-Backbone interact. energy: 2.767 local terms energy: -515.104148 where: bonds (distance) C4'-P energy: -103.497 bonds (distance) P-C4' energy: -121.965 flat angles C4'-P-C4' energy: -116.294 flat angles P-C4'-P energy: -64.184 tors. eta vs tors. theta energy: -109.165 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: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1230.881970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.881970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.881970 (E_RNA) where: Base-Base interactions energy: -778.042 where: short stacking energy: -362.435 Base-Backbone interact. energy: -1.960 local terms energy: -450.879928 where: bonds (distance) C4'-P energy: -110.760 bonds (distance) P-C4' energy: -109.445 flat angles C4'-P-C4' energy: -104.114 flat angles P-C4'-P energy: -70.977 tors. eta vs tors. theta energy: -55.583 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: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -957.848451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.848451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.848451 (E_RNA) where: Base-Base interactions energy: -557.518 where: short stacking energy: -270.142 Base-Backbone interact. energy: -1.367 local terms energy: -398.962809 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -103.776 flat angles C4'-P-C4' energy: -99.176 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: -25.187 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: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -694.580684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.580684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.580684 (E_RNA) where: Base-Base interactions energy: -339.169 where: short stacking energy: -189.541 Base-Backbone interact. energy: -2.293 local terms energy: -353.119117 where: bonds (distance) C4'-P energy: -91.870 bonds (distance) P-C4' energy: -110.196 flat angles C4'-P-C4' energy: -105.351 flat angles P-C4'-P energy: -48.254 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: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2375.074413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.074413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.074413 (E_RNA) where: Base-Base interactions energy: -1630.892 where: short stacking energy: -688.771 Base-Backbone interact. energy: -3.754 local terms energy: -740.427902 where: bonds (distance) C4'-P energy: -143.577 bonds (distance) P-C4' energy: -142.776 flat angles C4'-P-C4' energy: -149.422 flat angles P-C4'-P energy: -103.687 tors. eta vs tors. theta energy: -200.967 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2303.531421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.531421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.531421 (E_RNA) where: Base-Base interactions energy: -1602.396 where: short stacking energy: -654.094 Base-Backbone interact. energy: 1.560 local terms energy: -702.694561 where: bonds (distance) C4'-P energy: -125.313 bonds (distance) P-C4' energy: -133.858 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -94.643 tors. eta vs tors. theta energy: -208.921 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: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2207.155439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.155439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.155439 (E_RNA) where: Base-Base interactions energy: -1503.804 where: short stacking energy: -641.353 Base-Backbone interact. energy: -0.859 local terms energy: -702.491885 where: bonds (distance) C4'-P energy: -123.100 bonds (distance) P-C4' energy: -125.804 flat angles C4'-P-C4' energy: -149.356 flat angles P-C4'-P energy: -100.130 tors. eta vs tors. theta energy: -204.102 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: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2127.726473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.726473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.726473 (E_RNA) where: Base-Base interactions energy: -1416.076 where: short stacking energy: -620.053 Base-Backbone interact. energy: -1.324 local terms energy: -710.326604 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -128.284 flat angles C4'-P-C4' energy: -149.901 flat angles P-C4'-P energy: -102.161 tors. eta vs tors. theta energy: -203.931 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: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1948.658059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.658059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.658059 (E_RNA) where: Base-Base interactions energy: -1317.367 where: short stacking energy: -557.414 Base-Backbone interact. energy: -0.465 local terms energy: -630.826558 where: bonds (distance) C4'-P energy: -112.439 bonds (distance) P-C4' energy: -124.478 flat angles C4'-P-C4' energy: -133.005 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -165.702 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: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1722.525438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.525438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.525438 (E_RNA) where: Base-Base interactions energy: -1163.221 where: short stacking energy: -514.230 Base-Backbone interact. energy: 2.652 local terms energy: -561.955861 where: bonds (distance) C4'-P energy: -113.829 bonds (distance) P-C4' energy: -106.939 flat angles C4'-P-C4' energy: -131.616 flat angles P-C4'-P energy: -84.323 tors. eta vs tors. theta energy: -125.248 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: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1539.768251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.768251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.768251 (E_RNA) where: Base-Base interactions energy: -1056.603 where: short stacking energy: -450.993 Base-Backbone interact. energy: 1.516 local terms energy: -484.681273 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -100.527 flat angles C4'-P-C4' energy: -110.462 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -108.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1200.046826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.046826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.046826 (E_RNA) where: Base-Base interactions energy: -748.982 where: short stacking energy: -359.593 Base-Backbone interact. energy: 2.134 local terms energy: -453.198805 where: bonds (distance) C4'-P energy: -107.457 bonds (distance) P-C4' energy: -103.883 flat angles C4'-P-C4' energy: -107.701 flat angles P-C4'-P energy: -65.677 tors. eta vs tors. theta energy: -68.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -920.882101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.882101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.882101 (E_RNA) where: Base-Base interactions energy: -528.947 where: short stacking energy: -257.587 Base-Backbone interact. energy: 6.156 local terms energy: -398.090865 where: bonds (distance) C4'-P energy: -93.180 bonds (distance) P-C4' energy: -112.142 flat angles C4'-P-C4' energy: -105.177 flat angles P-C4'-P energy: -56.661 tors. eta vs tors. theta energy: -30.931 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: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -757.998338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.998338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.998338 (E_RNA) where: Base-Base interactions energy: -378.802 where: short stacking energy: -193.993 Base-Backbone interact. energy: -1.338 local terms energy: -377.858471 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -106.250 flat angles C4'-P-C4' energy: -98.970 flat angles P-C4'-P energy: -66.430 tors. eta vs tors. theta energy: 3.705 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: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2375.221576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.221576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.221576 (E_RNA) where: Base-Base interactions energy: -1634.786 where: short stacking energy: -662.411 Base-Backbone interact. energy: -4.611 local terms energy: -735.825037 where: bonds (distance) C4'-P energy: -127.865 bonds (distance) P-C4' energy: -132.621 flat angles C4'-P-C4' energy: -156.121 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -200.175 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: 351 Temperature: 0.950000 Total energy: -2292.159324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.159324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.159324 (E_RNA) where: Base-Base interactions energy: -1601.257 where: short stacking energy: -674.983 Base-Backbone interact. energy: 5.145 local terms energy: -696.047566 where: bonds (distance) C4'-P energy: -125.994 bonds (distance) P-C4' energy: -130.972 flat angles C4'-P-C4' energy: -145.688 flat angles P-C4'-P energy: -93.231 tors. eta vs tors. theta energy: -200.163 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: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2208.573136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.573136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.573136 (E_RNA) where: Base-Base interactions energy: -1497.868 where: short stacking energy: -664.276 Base-Backbone interact. energy: -2.641 local terms energy: -708.064148 where: bonds (distance) C4'-P energy: -130.837 bonds (distance) P-C4' energy: -131.806 flat angles C4'-P-C4' energy: -141.922 flat angles P-C4'-P energy: -108.547 tors. eta vs tors. theta energy: -194.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2179.132984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.132984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.132984 (E_RNA) where: Base-Base interactions energy: -1487.290 where: short stacking energy: -645.002 Base-Backbone interact. energy: 1.532 local terms energy: -693.375348 where: bonds (distance) C4'-P energy: -124.183 bonds (distance) P-C4' energy: -135.880 flat angles C4'-P-C4' energy: -135.047 flat angles P-C4'-P energy: -95.729 tors. eta vs tors. theta energy: -202.536 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: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1888.957518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.957518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.957518 (E_RNA) where: Base-Base interactions energy: -1288.756 where: short stacking energy: -498.408 Base-Backbone interact. energy: 4.853 local terms energy: -605.054116 where: bonds (distance) C4'-P energy: -104.324 bonds (distance) P-C4' energy: -123.291 flat angles C4'-P-C4' energy: -133.534 flat angles P-C4'-P energy: -104.316 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: 6, replica: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1741.766428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.766428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.766428 (E_RNA) where: Base-Base interactions energy: -1183.920 where: short stacking energy: -518.969 Base-Backbone interact. energy: 2.133 local terms energy: -559.979938 where: bonds (distance) C4'-P energy: -102.105 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -128.236 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -123.696 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: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1554.243128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.243128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.243128 (E_RNA) where: Base-Base interactions energy: -1002.775 where: short stacking energy: -432.520 Base-Backbone interact. energy: -1.334 local terms energy: -550.133963 where: bonds (distance) C4'-P energy: -122.257 bonds (distance) P-C4' energy: -130.510 flat angles C4'-P-C4' energy: -122.846 flat angles P-C4'-P energy: -73.309 tors. eta vs tors. theta energy: -101.213 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: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1206.983581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.983581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.983581 (E_RNA) where: Base-Base interactions energy: -752.844 where: short stacking energy: -372.040 Base-Backbone interact. energy: 0.647 local terms energy: -454.787231 where: bonds (distance) C4'-P energy: -104.086 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -99.075 flat angles P-C4'-P energy: -65.400 tors. eta vs tors. theta energy: -69.741 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: 6 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -886.572940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.572940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.572940 (E_RNA) where: Base-Base interactions energy: -500.087 where: short stacking energy: -255.421 Base-Backbone interact. energy: -0.601 local terms energy: -385.884959 where: bonds (distance) C4'-P energy: -96.715 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -82.009 flat angles P-C4'-P energy: -61.271 tors. eta vs tors. theta energy: -14.886 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: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -743.827425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.827425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.827425 (E_RNA) where: Base-Base interactions energy: -374.132 where: short stacking energy: -211.038 Base-Backbone interact. energy: -0.861 local terms energy: -368.833652 where: bonds (distance) C4'-P energy: -105.341 bonds (distance) P-C4' energy: -113.971 flat angles C4'-P-C4' energy: -90.731 flat angles P-C4'-P energy: -49.565 tors. eta vs tors. theta energy: -9.225 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: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2378.034549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.034549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.034549 (E_RNA) where: Base-Base interactions energy: -1660.407 where: short stacking energy: -687.448 Base-Backbone interact. energy: -4.741 local terms energy: -712.886625 where: bonds (distance) C4'-P energy: -134.433 bonds (distance) P-C4' energy: -138.369 flat angles C4'-P-C4' energy: -148.389 flat angles P-C4'-P energy: -95.247 tors. eta vs tors. theta energy: -196.449 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: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2304.919372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.919372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.919372 (E_RNA) where: Base-Base interactions energy: -1570.778 where: short stacking energy: -651.103 Base-Backbone interact. energy: -2.966 local terms energy: -731.175774 where: bonds (distance) C4'-P energy: -122.972 bonds (distance) P-C4' energy: -141.073 flat angles C4'-P-C4' energy: -156.647 flat angles P-C4'-P energy: -98.329 tors. eta vs tors. theta energy: -212.155 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: 3, replica: 10 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2245.061469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.061469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.061469 (E_RNA) where: Base-Base interactions energy: -1569.321 where: short stacking energy: -639.465 Base-Backbone interact. energy: -2.239 local terms energy: -673.502096 where: bonds (distance) C4'-P energy: -121.444 bonds (distance) P-C4' energy: -113.992 flat angles C4'-P-C4' energy: -153.991 flat angles P-C4'-P energy: -94.787 tors. eta vs tors. theta energy: -189.288 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: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2180.740157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.740157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.740157 (E_RNA) where: Base-Base interactions energy: -1500.933 where: short stacking energy: -649.189 Base-Backbone interact. energy: -2.619 local terms energy: -677.187488 where: bonds (distance) C4'-P energy: -110.663 bonds (distance) P-C4' energy: -123.818 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -100.801 tors. eta vs tors. theta energy: -193.905 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: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1881.001013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.001013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.001013 (E_RNA) where: Base-Base interactions energy: -1266.762 where: short stacking energy: -548.524 Base-Backbone interact. energy: -3.795 local terms energy: -610.443678 where: bonds (distance) C4'-P energy: -110.423 bonds (distance) P-C4' energy: -126.048 flat angles C4'-P-C4' energy: -129.344 flat angles P-C4'-P energy: -94.366 tors. eta vs tors. theta energy: -150.263 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: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1714.203748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.203748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.203748 (E_RNA) where: Base-Base interactions energy: -1139.004 where: short stacking energy: -478.354 Base-Backbone interact. energy: -1.345 local terms energy: -573.854478 where: bonds (distance) C4'-P energy: -135.554 bonds (distance) P-C4' energy: -102.944 flat angles C4'-P-C4' energy: -123.842 flat angles P-C4'-P energy: -78.923 tors. eta vs tors. theta energy: -132.592 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1527.924729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.924729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.924729 (E_RNA) where: Base-Base interactions energy: -975.596 where: short stacking energy: -441.132 Base-Backbone interact. energy: -1.801 local terms energy: -550.527492 where: bonds (distance) C4'-P energy: -119.255 bonds (distance) P-C4' energy: -104.087 flat angles C4'-P-C4' energy: -101.170 flat angles P-C4'-P energy: -97.975 tors. eta vs tors. theta energy: -128.041 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: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1256.459406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.459406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.459406 (E_RNA) where: Base-Base interactions energy: -783.768 where: short stacking energy: -391.605 Base-Backbone interact. energy: 0.026 local terms energy: -472.717624 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -115.923 flat angles C4'-P-C4' energy: -114.007 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -67.811 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: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -866.766007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.766007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.766007 (E_RNA) where: Base-Base interactions energy: -467.590 where: short stacking energy: -253.101 Base-Backbone interact. energy: -0.087 local terms energy: -399.089395 where: bonds (distance) C4'-P energy: -117.479 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -80.640 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -20.724 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: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -686.143816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.143816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.143816 (E_RNA) where: Base-Base interactions energy: -325.897 where: short stacking energy: -174.689 Base-Backbone interact. energy: -1.293 local terms energy: -358.953657 where: bonds (distance) C4'-P energy: -95.095 bonds (distance) P-C4' energy: -108.974 flat angles C4'-P-C4' energy: -90.403 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: 3.154 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: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2359.518291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.518291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.518291 (E_RNA) where: Base-Base interactions energy: -1622.944 where: short stacking energy: -685.446 Base-Backbone interact. energy: -0.701 local terms energy: -735.873253 where: bonds (distance) C4'-P energy: -133.966 bonds (distance) P-C4' energy: -146.081 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -199.188 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: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2303.167718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.167718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.167718 (E_RNA) where: Base-Base interactions energy: -1591.870 where: short stacking energy: -626.160 Base-Backbone interact. energy: -2.176 local terms energy: -709.122271 where: bonds (distance) C4'-P energy: -139.753 bonds (distance) P-C4' energy: -127.337 flat angles C4'-P-C4' energy: -142.262 flat angles P-C4'-P energy: -108.540 tors. eta vs tors. theta energy: -191.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2236.245300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.245300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.245300 (E_RNA) where: Base-Base interactions energy: -1564.364 where: short stacking energy: -686.505 Base-Backbone interact. energy: 0.336 local terms energy: -672.216864 where: bonds (distance) C4'-P energy: -116.034 bonds (distance) P-C4' energy: -122.206 flat angles C4'-P-C4' energy: -148.439 flat angles P-C4'-P energy: -97.523 tors. eta vs tors. theta energy: -188.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2152.007074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.007074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.007074 (E_RNA) where: Base-Base interactions energy: -1468.513 where: short stacking energy: -635.529 Base-Backbone interact. energy: -2.060 local terms energy: -681.434100 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -117.530 flat angles C4'-P-C4' energy: -146.146 flat angles P-C4'-P energy: -99.979 tors. eta vs tors. theta energy: -202.062 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: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1934.266026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.266026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.266026 (E_RNA) where: Base-Base interactions energy: -1325.494 where: short stacking energy: -580.622 Base-Backbone interact. energy: 1.256 local terms energy: -610.027962 where: bonds (distance) C4'-P energy: -121.233 bonds (distance) P-C4' energy: -114.041 flat angles C4'-P-C4' energy: -123.987 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -162.137 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1671.741140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.741140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.741140 (E_RNA) where: Base-Base interactions energy: -1111.902 where: short stacking energy: -488.999 Base-Backbone interact. energy: -2.105 local terms energy: -557.733816 where: bonds (distance) C4'-P energy: -109.761 bonds (distance) P-C4' energy: -118.073 flat angles C4'-P-C4' energy: -131.071 flat angles P-C4'-P energy: -75.504 tors. eta vs tors. theta energy: -123.324 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: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1556.270951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.270951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.270951 (E_RNA) where: Base-Base interactions energy: -1005.944 where: short stacking energy: -476.111 Base-Backbone interact. energy: 1.464 local terms energy: -551.790784 where: bonds (distance) C4'-P energy: -116.809 bonds (distance) P-C4' energy: -102.444 flat angles C4'-P-C4' energy: -121.622 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -135.066 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: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1232.085110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.085110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.085110 (E_RNA) where: Base-Base interactions energy: -749.245 where: short stacking energy: -373.730 Base-Backbone interact. energy: -1.968 local terms energy: -480.872094 where: bonds (distance) C4'-P energy: -105.637 bonds (distance) P-C4' energy: -111.236 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -82.389 tors. eta vs tors. theta energy: -80.691 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: 9, replica: 6 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -853.650676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.650676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.650676 (E_RNA) where: Base-Base interactions energy: -428.322 where: short stacking energy: -243.280 Base-Backbone interact. energy: -2.211 local terms energy: -423.116877 where: bonds (distance) C4'-P energy: -118.829 bonds (distance) P-C4' energy: -128.413 flat angles C4'-P-C4' energy: -89.557 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -4.983 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: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -680.239045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.239045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.239045 (E_RNA) where: Base-Base interactions energy: -336.921 where: short stacking energy: -186.784 Base-Backbone interact. energy: 7.049 local terms energy: -350.366524 where: bonds (distance) C4'-P energy: -105.402 bonds (distance) P-C4' energy: -94.104 flat angles C4'-P-C4' energy: -106.641 flat angles P-C4'-P energy: -48.647 tors. eta vs tors. theta energy: 4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2363.011355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.011355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.011355 (E_RNA) where: Base-Base interactions energy: -1632.927 where: short stacking energy: -689.605 Base-Backbone interact. energy: -2.612 local terms energy: -727.471975 where: bonds (distance) C4'-P energy: -136.048 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -106.896 tors. eta vs tors. theta energy: -199.393 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: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2312.679649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.679649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.679649 (E_RNA) where: Base-Base interactions energy: -1610.117 where: short stacking energy: -647.512 Base-Backbone interact. energy: -2.257 local terms energy: -700.305712 where: bonds (distance) C4'-P energy: -127.871 bonds (distance) P-C4' energy: -137.701 flat angles C4'-P-C4' energy: -137.438 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -207.012 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: 3, replica: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2288.511340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.511340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.511340 (E_RNA) where: Base-Base interactions energy: -1585.627 where: short stacking energy: -683.461 Base-Backbone interact. energy: -1.768 local terms energy: -701.116566 where: bonds (distance) C4'-P energy: -125.095 bonds (distance) P-C4' energy: -139.916 flat angles C4'-P-C4' energy: -152.495 flat angles P-C4'-P energy: -90.081 tors. eta vs tors. theta energy: -193.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2118.998271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.998271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.998271 (E_RNA) where: Base-Base interactions energy: -1445.615 where: short stacking energy: -618.985 Base-Backbone interact. energy: -1.379 local terms energy: -672.005136 where: bonds (distance) C4'-P energy: -131.499 bonds (distance) P-C4' energy: -123.408 flat angles C4'-P-C4' energy: -138.320 flat angles P-C4'-P energy: -92.566 tors. eta vs tors. theta energy: -186.212 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: 3 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1915.241164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.241164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.241164 (E_RNA) where: Base-Base interactions energy: -1297.448 where: short stacking energy: -540.164 Base-Backbone interact. energy: -3.664 local terms energy: -614.129221 where: bonds (distance) C4'-P energy: -123.701 bonds (distance) P-C4' energy: -116.401 flat angles C4'-P-C4' energy: -121.257 flat angles P-C4'-P energy: -102.075 tors. eta vs tors. theta energy: -150.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1692.089418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.089418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.089418 (E_RNA) where: Base-Base interactions energy: -1128.622 where: short stacking energy: -468.155 Base-Backbone interact. energy: -1.515 local terms energy: -561.953245 where: bonds (distance) C4'-P energy: -125.020 bonds (distance) P-C4' energy: -111.434 flat angles C4'-P-C4' energy: -135.150 flat angles P-C4'-P energy: -71.725 tors. eta vs tors. theta energy: -118.623 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: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1545.134652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.134652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.134652 (E_RNA) where: Base-Base interactions energy: -1019.791 where: short stacking energy: -452.645 Base-Backbone interact. energy: -1.004 local terms energy: -524.339739 where: bonds (distance) C4'-P energy: -105.263 bonds (distance) P-C4' energy: -112.343 flat angles C4'-P-C4' energy: -120.842 flat angles P-C4'-P energy: -72.147 tors. eta vs tors. theta energy: -113.745 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: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1224.541242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.541242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.541242 (E_RNA) where: Base-Base interactions energy: -754.189 where: short stacking energy: -371.458 Base-Backbone interact. energy: 6.520 local terms energy: -476.872643 where: bonds (distance) C4'-P energy: -98.208 bonds (distance) P-C4' energy: -114.021 flat angles C4'-P-C4' energy: -122.618 flat angles P-C4'-P energy: -74.341 tors. eta vs tors. theta energy: -67.685 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: 6 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -869.113790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.113790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.113790 (E_RNA) where: Base-Base interactions energy: -489.860 where: short stacking energy: -261.901 Base-Backbone interact. energy: 0.314 local terms energy: -379.567830 where: bonds (distance) C4'-P energy: -96.539 bonds (distance) P-C4' energy: -118.227 flat angles C4'-P-C4' energy: -92.021 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -13.918 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: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -724.622989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.622989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.622989 (E_RNA) where: Base-Base interactions energy: -354.877 where: short stacking energy: -210.395 Base-Backbone interact. energy: 2.694 local terms energy: -372.440333 where: bonds (distance) C4'-P energy: -117.290 bonds (distance) P-C4' energy: -112.328 flat angles C4'-P-C4' energy: -100.493 flat angles P-C4'-P energy: -54.087 tors. eta vs tors. theta energy: 11.758 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: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2369.685984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.685984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.685984 (E_RNA) where: Base-Base interactions energy: -1639.542 where: short stacking energy: -678.519 Base-Backbone interact. energy: -2.785 local terms energy: -727.359115 where: bonds (distance) C4'-P energy: -127.863 bonds (distance) P-C4' energy: -134.338 flat angles C4'-P-C4' energy: -154.304 flat angles P-C4'-P energy: -107.974 tors. eta vs tors. theta energy: -202.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2335.537206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.537206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.537206 (E_RNA) where: Base-Base interactions energy: -1626.377 where: short stacking energy: -696.990 Base-Backbone interact. energy: -1.783 local terms energy: -707.377301 where: bonds (distance) C4'-P energy: -119.162 bonds (distance) P-C4' energy: -129.729 flat angles C4'-P-C4' energy: -158.561 flat angles P-C4'-P energy: -95.019 tors. eta vs tors. theta energy: -204.907 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: 3, replica: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2233.798818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.798818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.798818 (E_RNA) where: Base-Base interactions energy: -1531.392 where: short stacking energy: -644.019 Base-Backbone interact. energy: -4.711 local terms energy: -697.695843 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -133.465 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -206.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2070.268185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.268185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.268185 (E_RNA) where: Base-Base interactions energy: -1401.026 where: short stacking energy: -601.201 Base-Backbone interact. energy: -0.595 local terms energy: -668.647111 where: bonds (distance) C4'-P energy: -126.388 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -135.821 flat angles P-C4'-P energy: -89.289 tors. eta vs tors. theta energy: -175.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1899.008661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.008661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.008661 (E_RNA) where: Base-Base interactions energy: -1305.695 where: short stacking energy: -548.512 Base-Backbone interact. energy: -5.410 local terms energy: -587.903461 where: bonds (distance) C4'-P energy: -108.986 bonds (distance) P-C4' energy: -112.941 flat angles C4'-P-C4' energy: -138.122 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -147.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1660.011569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.011569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.011569 (E_RNA) where: Base-Base interactions energy: -1075.109 where: short stacking energy: -486.037 Base-Backbone interact. energy: -0.427 local terms energy: -584.475040 where: bonds (distance) C4'-P energy: -126.541 bonds (distance) P-C4' energy: -109.315 flat angles C4'-P-C4' energy: -134.575 flat angles P-C4'-P energy: -82.374 tors. eta vs tors. theta energy: -131.670 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: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1513.918201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.918201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.918201 (E_RNA) where: Base-Base interactions energy: -986.249 where: short stacking energy: -443.904 Base-Backbone interact. energy: -3.757 local terms energy: -523.912098 where: bonds (distance) C4'-P energy: -116.455 bonds (distance) P-C4' energy: -109.760 flat angles C4'-P-C4' energy: -122.761 flat angles P-C4'-P energy: -62.716 tors. eta vs tors. theta energy: -112.220 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: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1254.472231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.472231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.472231 (E_RNA) where: Base-Base interactions energy: -778.120 where: short stacking energy: -354.331 Base-Backbone interact. energy: -1.870 local terms energy: -474.482355 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -119.800 flat angles C4'-P-C4' energy: -116.261 flat angles P-C4'-P energy: -62.111 tors. eta vs tors. theta energy: -74.714 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: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -893.427133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.427133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.427133 (E_RNA) where: Base-Base interactions energy: -473.665 where: short stacking energy: -247.486 Base-Backbone interact. energy: -3.187 local terms energy: -416.574868 where: bonds (distance) C4'-P energy: -107.992 bonds (distance) P-C4' energy: -124.376 flat angles C4'-P-C4' energy: -95.510 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -23.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -738.314979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.314979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.314979 (E_RNA) where: Base-Base interactions energy: -381.812 where: short stacking energy: -186.268 Base-Backbone interact. energy: 0.594 local terms energy: -357.096903 where: bonds (distance) C4'-P energy: -122.682 bonds (distance) P-C4' energy: -112.737 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -49.536 tors. eta vs tors. theta energy: 3.731 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: 1, replica: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2372.351178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.351178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.351178 (E_RNA) where: Base-Base interactions energy: -1642.186 where: short stacking energy: -696.495 Base-Backbone interact. energy: -1.665 local terms energy: -728.499492 where: bonds (distance) C4'-P energy: -125.608 bonds (distance) P-C4' energy: -143.505 flat angles C4'-P-C4' energy: -148.904 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -212.933 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: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2336.075658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.075658 (E_RNA) where: Base-Base interactions energy: -1616.830 where: short stacking energy: -679.701 Base-Backbone interact. energy: -3.573 local terms energy: -715.673219 where: bonds (distance) C4'-P energy: -126.949 bonds (distance) P-C4' energy: -130.587 flat angles C4'-P-C4' energy: -153.177 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -211.272 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: 356 Temperature: 1.000000 Total energy: -2253.271246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.271246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.271246 (E_RNA) where: Base-Base interactions energy: -1557.115 where: short stacking energy: -656.425 Base-Backbone interact. energy: -0.271 local terms energy: -695.884969 where: bonds (distance) C4'-P energy: -124.818 bonds (distance) P-C4' energy: -135.152 flat angles C4'-P-C4' energy: -156.215 flat angles P-C4'-P energy: -90.532 tors. eta vs tors. theta energy: -189.168 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: 4, replica: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2148.453947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.453947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.453947 (E_RNA) where: Base-Base interactions energy: -1499.326 where: short stacking energy: -653.285 Base-Backbone interact. energy: 1.019 local terms energy: -650.147121 where: bonds (distance) C4'-P energy: -115.398 bonds (distance) P-C4' energy: -117.059 flat angles C4'-P-C4' energy: -144.506 flat angles P-C4'-P energy: -84.885 tors. eta vs tors. theta energy: -188.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1876.420172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.420172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.420172 (E_RNA) where: Base-Base interactions energy: -1266.000 where: short stacking energy: -532.296 Base-Backbone interact. energy: -0.216 local terms energy: -610.204514 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -117.965 flat angles C4'-P-C4' energy: -136.682 flat angles P-C4'-P energy: -97.328 tors. eta vs tors. theta energy: -145.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1731.066478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.066478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.066478 (E_RNA) where: Base-Base interactions energy: -1123.501 where: short stacking energy: -485.139 Base-Backbone interact. energy: -2.499 local terms energy: -605.066189 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -116.196 flat angles C4'-P-C4' energy: -135.872 flat angles P-C4'-P energy: -98.051 tors. eta vs tors. theta energy: -137.011 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: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1602.457538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.457538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.457538 (E_RNA) where: Base-Base interactions energy: -1055.411 where: short stacking energy: -466.329 Base-Backbone interact. energy: -1.145 local terms energy: -545.901182 where: bonds (distance) C4'-P energy: -106.182 bonds (distance) P-C4' energy: -113.459 flat angles C4'-P-C4' energy: -131.725 flat angles P-C4'-P energy: -82.023 tors. eta vs tors. theta energy: -112.513 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: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1250.951176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.951176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.951176 (E_RNA) where: Base-Base interactions energy: -785.615 where: short stacking energy: -377.445 Base-Backbone interact. energy: -1.116 local terms energy: -464.220343 where: bonds (distance) C4'-P energy: -94.896 bonds (distance) P-C4' energy: -106.772 flat angles C4'-P-C4' energy: -122.009 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -72.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -987.386616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.386616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.386616 (E_RNA) where: Base-Base interactions energy: -557.595 where: short stacking energy: -270.405 Base-Backbone interact. energy: 2.072 local terms energy: -431.863873 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -108.250 flat angles C4'-P-C4' energy: -108.795 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -37.501 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -702.971126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.971126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.971126 (E_RNA) where: Base-Base interactions energy: -360.333 where: short stacking energy: -167.785 Base-Backbone interact. energy: -1.151 local terms energy: -341.486696 where: bonds (distance) C4'-P energy: -92.310 bonds (distance) P-C4' energy: -114.387 flat angles C4'-P-C4' energy: -97.832 flat angles P-C4'-P energy: -48.816 tors. eta vs tors. theta energy: 11.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2400.436303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.436303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.436303 (E_RNA) where: Base-Base interactions energy: -1676.035 where: short stacking energy: -709.353 Base-Backbone interact. energy: -3.133 local terms energy: -721.267936 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -140.223 flat angles C4'-P-C4' energy: -163.235 flat angles P-C4'-P energy: -91.300 tors. eta vs tors. theta energy: -206.110 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: 2, replica: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2313.277524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.277524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.277524 (E_RNA) where: Base-Base interactions energy: -1599.582 where: short stacking energy: -684.283 Base-Backbone interact. energy: -1.034 local terms energy: -712.661574 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -128.428 flat angles C4'-P-C4' energy: -149.881 flat angles P-C4'-P energy: -102.035 tors. eta vs tors. theta energy: -213.739 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: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2231.933524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.933524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.933524 (E_RNA) where: Base-Base interactions energy: -1557.735 where: short stacking energy: -654.091 Base-Backbone interact. energy: -1.387 local terms energy: -672.810858 where: bonds (distance) C4'-P energy: -113.416 bonds (distance) P-C4' energy: -129.390 flat angles C4'-P-C4' energy: -139.560 flat angles P-C4'-P energy: -90.785 tors. eta vs tors. theta energy: -199.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2141.368797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.368797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.368797 (E_RNA) where: Base-Base interactions energy: -1451.756 where: short stacking energy: -636.955 Base-Backbone interact. energy: -3.114 local terms energy: -686.498367 where: bonds (distance) C4'-P energy: -119.438 bonds (distance) P-C4' energy: -131.611 flat angles C4'-P-C4' energy: -154.677 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -189.755 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: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1866.817986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.817986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.817986 (E_RNA) where: Base-Base interactions energy: -1252.957 where: short stacking energy: -510.538 Base-Backbone interact. energy: -1.216 local terms energy: -612.644475 where: bonds (distance) C4'-P energy: -123.154 bonds (distance) P-C4' energy: -134.181 flat angles C4'-P-C4' energy: -132.866 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -141.074 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: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1774.094866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.094866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.094866 (E_RNA) where: Base-Base interactions energy: -1183.960 where: short stacking energy: -522.772 Base-Backbone interact. energy: 0.247 local terms energy: -590.381706 where: bonds (distance) C4'-P energy: -99.509 bonds (distance) P-C4' energy: -127.822 flat angles C4'-P-C4' energy: -133.009 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -152.197 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: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1722.882981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.882981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.882981 (E_RNA) where: Base-Base interactions energy: -1103.834 where: short stacking energy: -519.194 Base-Backbone interact. energy: -1.779 local terms energy: -617.270545 where: bonds (distance) C4'-P energy: -122.474 bonds (distance) P-C4' energy: -111.741 flat angles C4'-P-C4' energy: -147.297 flat angles P-C4'-P energy: -90.140 tors. eta vs tors. theta energy: -145.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1320.517445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.517445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.517445 (E_RNA) where: Base-Base interactions energy: -842.321 where: short stacking energy: -381.661 Base-Backbone interact. energy: -0.347 local terms energy: -477.849552 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -107.177 flat angles C4'-P-C4' energy: -121.513 flat angles P-C4'-P energy: -77.214 tors. eta vs tors. theta energy: -64.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -899.220754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.220754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.220754 (E_RNA) where: Base-Base interactions energy: -488.111 where: short stacking energy: -261.364 Base-Backbone interact. energy: -1.505 local terms energy: -409.604282 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -123.918 flat angles C4'-P-C4' energy: -98.931 flat angles P-C4'-P energy: -66.714 tors. eta vs tors. theta energy: -11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -687.407422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.407422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.407422 (E_RNA) where: Base-Base interactions energy: -322.451 where: short stacking energy: -172.479 Base-Backbone interact. energy: -1.806 local terms energy: -363.150681 where: bonds (distance) C4'-P energy: -110.538 bonds (distance) P-C4' energy: -119.136 flat angles C4'-P-C4' energy: -102.840 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: 11.065 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: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2398.600557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.600557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.600557 (E_RNA) where: Base-Base interactions energy: -1644.537 where: short stacking energy: -702.874 Base-Backbone interact. energy: -2.322 local terms energy: -751.741451 where: bonds (distance) C4'-P energy: -143.826 bonds (distance) P-C4' energy: -136.251 flat angles C4'-P-C4' energy: -156.357 flat angles P-C4'-P energy: -99.140 tors. eta vs tors. theta energy: -216.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2342.009421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.009421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.009421 (E_RNA) where: Base-Base interactions energy: -1616.769 where: short stacking energy: -667.611 Base-Backbone interact. energy: -0.635 local terms energy: -724.605008 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -162.772 flat angles P-C4'-P energy: -100.992 tors. eta vs tors. theta energy: -207.190 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2232.190463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.190463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.190463 (E_RNA) where: Base-Base interactions energy: -1537.429 where: short stacking energy: -623.746 Base-Backbone interact. energy: -1.968 local terms energy: -692.794049 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -131.297 flat angles C4'-P-C4' energy: -142.948 flat angles P-C4'-P energy: -96.140 tors. eta vs tors. theta energy: -194.656 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: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2117.586356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.586356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.586356 (E_RNA) where: Base-Base interactions energy: -1425.010 where: short stacking energy: -619.529 Base-Backbone interact. energy: -3.177 local terms energy: -689.400057 where: bonds (distance) C4'-P energy: -111.753 bonds (distance) P-C4' energy: -132.485 flat angles C4'-P-C4' energy: -152.991 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -198.058 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: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1891.813388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.813388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.813388 (E_RNA) where: Base-Base interactions energy: -1265.338 where: short stacking energy: -520.669 Base-Backbone interact. energy: -1.732 local terms energy: -624.743683 where: bonds (distance) C4'-P energy: -121.143 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -131.388 flat angles P-C4'-P energy: -89.360 tors. eta vs tors. theta energy: -154.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1760.368834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.368834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.368834 (E_RNA) where: Base-Base interactions energy: -1162.361 where: short stacking energy: -491.470 Base-Backbone interact. energy: 0.273 local terms energy: -598.280886 where: bonds (distance) C4'-P energy: -138.617 bonds (distance) P-C4' energy: -126.150 flat angles C4'-P-C4' energy: -122.929 flat angles P-C4'-P energy: -67.467 tors. eta vs tors. theta energy: -143.118 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: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1648.762480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.762480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.762480 (E_RNA) where: Base-Base interactions energy: -1066.691 where: short stacking energy: -473.595 Base-Backbone interact. energy: -1.637 local terms energy: -580.434421 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -122.100 flat angles C4'-P-C4' energy: -128.802 flat angles P-C4'-P energy: -74.287 tors. eta vs tors. theta energy: -126.173 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: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1315.798277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.798277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.798277 (E_RNA) where: Base-Base interactions energy: -832.942 where: short stacking energy: -368.993 Base-Backbone interact. energy: -1.152 local terms energy: -481.703966 where: bonds (distance) C4'-P energy: -104.912 bonds (distance) P-C4' energy: -102.298 flat angles C4'-P-C4' energy: -122.588 flat angles P-C4'-P energy: -69.444 tors. eta vs tors. theta energy: -82.462 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: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -898.407113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.407113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.407113 (E_RNA) where: Base-Base interactions energy: -533.110 where: short stacking energy: -240.198 Base-Backbone interact. energy: 0.809 local terms energy: -366.105974 where: bonds (distance) C4'-P energy: -104.183 bonds (distance) P-C4' energy: -105.181 flat angles C4'-P-C4' energy: -92.971 flat angles P-C4'-P energy: -60.871 tors. eta vs tors. theta energy: -2.900 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: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -708.218550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.218550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.218550 (E_RNA) where: Base-Base interactions energy: -326.805 where: short stacking energy: -181.966 Base-Backbone interact. energy: 4.172 local terms energy: -385.584843 where: bonds (distance) C4'-P energy: -111.102 bonds (distance) P-C4' energy: -116.552 flat angles C4'-P-C4' energy: -105.040 flat angles P-C4'-P energy: -62.490 tors. eta vs tors. theta energy: 9.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2397.015659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.015659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.015659 (E_RNA) where: Base-Base interactions energy: -1665.427 where: short stacking energy: -696.035 Base-Backbone interact. energy: -4.393 local terms energy: -727.195569 where: bonds (distance) C4'-P energy: -130.246 bonds (distance) P-C4' energy: -133.816 flat angles C4'-P-C4' energy: -152.889 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -210.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2285.318108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.318108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.318108 (E_RNA) where: Base-Base interactions energy: -1566.396 where: short stacking energy: -663.408 Base-Backbone interact. energy: -1.650 local terms energy: -717.272998 where: bonds (distance) C4'-P energy: -139.054 bonds (distance) P-C4' energy: -136.423 flat angles C4'-P-C4' energy: -152.014 flat angles P-C4'-P energy: -89.425 tors. eta vs tors. theta energy: -200.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2163.433180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.433180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.433180 (E_RNA) where: Base-Base interactions energy: -1492.668 where: short stacking energy: -609.374 Base-Backbone interact. energy: -3.112 local terms energy: -667.653095 where: bonds (distance) C4'-P energy: -117.646 bonds (distance) P-C4' energy: -120.191 flat angles C4'-P-C4' energy: -151.314 flat angles P-C4'-P energy: -92.179 tors. eta vs tors. theta energy: -186.323 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: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2152.405370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.405370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.405370 (E_RNA) where: Base-Base interactions energy: -1476.548 where: short stacking energy: -635.124 Base-Backbone interact. energy: -4.233 local terms energy: -671.625159 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -119.875 flat angles C4'-P-C4' energy: -136.358 flat angles P-C4'-P energy: -105.199 tors. eta vs tors. theta energy: -193.678 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: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1918.985901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.985901 (E_RNA) where: Base-Base interactions energy: -1304.774 where: short stacking energy: -556.499 Base-Backbone interact. energy: -2.787 local terms energy: -611.425042 where: bonds (distance) C4'-P energy: -104.008 bonds (distance) P-C4' energy: -113.386 flat angles C4'-P-C4' energy: -144.308 flat angles P-C4'-P energy: -102.016 tors. eta vs tors. theta energy: -147.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1758.085384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.085384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.085384 (E_RNA) where: Base-Base interactions energy: -1168.434 where: short stacking energy: -537.901 Base-Backbone interact. energy: 4.081 local terms energy: -593.732184 where: bonds (distance) C4'-P energy: -109.799 bonds (distance) P-C4' energy: -122.822 flat angles C4'-P-C4' energy: -129.319 flat angles P-C4'-P energy: -83.417 tors. eta vs tors. theta energy: -148.375 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: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1570.009910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.009910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.009910 (E_RNA) where: Base-Base interactions energy: -989.844 where: short stacking energy: -450.103 Base-Backbone interact. energy: -2.525 local terms energy: -577.640228 where: bonds (distance) C4'-P energy: -118.644 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -86.766 tors. eta vs tors. theta energy: -114.765 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: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1326.304949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.304949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.304949 (E_RNA) where: Base-Base interactions energy: -854.441 where: short stacking energy: -382.741 Base-Backbone interact. energy: -0.264 local terms energy: -471.600569 where: bonds (distance) C4'-P energy: -102.332 bonds (distance) P-C4' energy: -102.680 flat angles C4'-P-C4' energy: -118.463 flat angles P-C4'-P energy: -75.467 tors. eta vs tors. theta energy: -72.659 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: 6 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -862.318972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.318972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.318972 (E_RNA) where: Base-Base interactions energy: -452.499 where: short stacking energy: -233.363 Base-Backbone interact. energy: -3.139 local terms energy: -406.680793 where: bonds (distance) C4'-P energy: -106.712 bonds (distance) P-C4' energy: -127.968 flat angles C4'-P-C4' energy: -95.160 flat angles P-C4'-P energy: -64.292 tors. eta vs tors. theta energy: -12.548 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: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -702.198340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.198340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.198340 (E_RNA) where: Base-Base interactions energy: -371.228 where: short stacking energy: -181.747 Base-Backbone interact. energy: 0.934 local terms energy: -331.905012 where: bonds (distance) C4'-P energy: -82.451 bonds (distance) P-C4' energy: -121.270 flat angles C4'-P-C4' energy: -78.571 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: 2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2388.346786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.346786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.346786 (E_RNA) where: Base-Base interactions energy: -1677.397 where: short stacking energy: -699.871 Base-Backbone interact. energy: -0.083 local terms energy: -710.866776 where: bonds (distance) C4'-P energy: -126.712 bonds (distance) P-C4' energy: -133.430 flat angles C4'-P-C4' energy: -150.257 flat angles P-C4'-P energy: -94.157 tors. eta vs tors. theta energy: -206.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2340.148685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.148685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.148685 (E_RNA) where: Base-Base interactions energy: -1599.166 where: short stacking energy: -683.063 Base-Backbone interact. energy: -2.524 local terms energy: -738.458856 where: bonds (distance) C4'-P energy: -136.286 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -161.364 flat angles P-C4'-P energy: -102.846 tors. eta vs tors. theta energy: -200.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2188.372260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.372260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.372260 (E_RNA) where: Base-Base interactions energy: -1502.981 where: short stacking energy: -652.621 Base-Backbone interact. energy: -7.086 local terms energy: -678.305356 where: bonds (distance) C4'-P energy: -117.175 bonds (distance) P-C4' energy: -136.387 flat angles C4'-P-C4' energy: -148.613 flat angles P-C4'-P energy: -94.116 tors. eta vs tors. theta energy: -182.015 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: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2134.314478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.314478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.314478 (E_RNA) where: Base-Base interactions energy: -1459.705 where: short stacking energy: -652.238 Base-Backbone interact. energy: -1.056 local terms energy: -673.553255 where: bonds (distance) C4'-P energy: -137.640 bonds (distance) P-C4' energy: -105.764 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -89.669 tors. eta vs tors. theta energy: -196.718 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: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1919.085204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.085204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.085204 (E_RNA) where: Base-Base interactions energy: -1290.817 where: short stacking energy: -557.346 Base-Backbone interact. energy: -3.434 local terms energy: -624.834464 where: bonds (distance) C4'-P energy: -120.420 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -131.316 flat angles P-C4'-P energy: -79.330 tors. eta vs tors. theta energy: -168.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1720.926190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.926190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.926190 (E_RNA) where: Base-Base interactions energy: -1124.761 where: short stacking energy: -499.978 Base-Backbone interact. energy: -1.224 local terms energy: -594.941429 where: bonds (distance) C4'-P energy: -127.092 bonds (distance) P-C4' energy: -110.566 flat angles C4'-P-C4' energy: -135.206 flat angles P-C4'-P energy: -98.757 tors. eta vs tors. theta energy: -123.321 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: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1530.009418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.009418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.009418 (E_RNA) where: Base-Base interactions energy: -991.584 where: short stacking energy: -446.385 Base-Backbone interact. energy: -4.678 local terms energy: -533.747478 where: bonds (distance) C4'-P energy: -113.900 bonds (distance) P-C4' energy: -116.018 flat angles C4'-P-C4' energy: -121.362 flat angles P-C4'-P energy: -76.653 tors. eta vs tors. theta energy: -105.814 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: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1326.755567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.755567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.755567 (E_RNA) where: Base-Base interactions energy: -836.414 where: short stacking energy: -414.686 Base-Backbone interact. energy: -0.108 local terms energy: -490.234017 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -107.647 flat angles C4'-P-C4' energy: -125.898 flat angles P-C4'-P energy: -71.864 tors. eta vs tors. theta energy: -85.318 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: 9, replica: 6 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -837.047151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.047151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.047151 (E_RNA) where: Base-Base interactions energy: -437.586 where: short stacking energy: -234.641 Base-Backbone interact. energy: -2.710 local terms energy: -396.751136 where: bonds (distance) C4'-P energy: -122.040 bonds (distance) P-C4' energy: -108.223 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -53.502 tors. eta vs tors. theta energy: -7.559 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: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -726.639631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.639631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.639631 (E_RNA) where: Base-Base interactions energy: -361.246 where: short stacking energy: -215.977 Base-Backbone interact. energy: 8.572 local terms energy: -373.965835 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -122.990 flat angles C4'-P-C4' energy: -93.065 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2388.152206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.152206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.152206 (E_RNA) where: Base-Base interactions energy: -1653.960 where: short stacking energy: -688.759 Base-Backbone interact. energy: 6.339 local terms energy: -740.530500 where: bonds (distance) C4'-P energy: -140.700 bonds (distance) P-C4' energy: -140.277 flat angles C4'-P-C4' energy: -159.524 flat angles P-C4'-P energy: -94.868 tors. eta vs tors. theta energy: -205.161 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: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2281.087492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.087492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.087492 (E_RNA) where: Base-Base interactions energy: -1568.870 where: short stacking energy: -676.266 Base-Backbone interact. energy: -2.512 local terms energy: -709.705452 where: bonds (distance) C4'-P energy: -131.778 bonds (distance) P-C4' energy: -140.132 flat angles C4'-P-C4' energy: -142.563 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -200.784 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: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2165.512115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.512115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.512115 (E_RNA) where: Base-Base interactions energy: -1496.008 where: short stacking energy: -642.620 Base-Backbone interact. energy: -3.552 local terms energy: -665.952561 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -111.128 flat angles C4'-P-C4' energy: -133.565 flat angles P-C4'-P energy: -100.696 tors. eta vs tors. theta energy: -198.073 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: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2103.434346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.434346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.434346 (E_RNA) where: Base-Base interactions energy: -1448.753 where: short stacking energy: -616.000 Base-Backbone interact. energy: -0.895 local terms energy: -653.786171 where: bonds (distance) C4'-P energy: -102.398 bonds (distance) P-C4' energy: -134.372 flat angles C4'-P-C4' energy: -139.661 flat angles P-C4'-P energy: -92.561 tors. eta vs tors. theta energy: -184.795 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: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1946.247045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.247045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.247045 (E_RNA) where: Base-Base interactions energy: -1330.649 where: short stacking energy: -570.789 Base-Backbone interact. energy: -2.367 local terms energy: -613.231201 where: bonds (distance) C4'-P energy: -107.417 bonds (distance) P-C4' energy: -125.701 flat angles C4'-P-C4' energy: -132.379 flat angles P-C4'-P energy: -83.284 tors. eta vs tors. theta energy: -164.451 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: 361 Temperature: 1.150000 Total energy: -1689.885177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.885177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.885177 (E_RNA) where: Base-Base interactions energy: -1112.013 where: short stacking energy: -474.813 Base-Backbone interact. energy: -0.130 local terms energy: -577.742668 where: bonds (distance) C4'-P energy: -96.931 bonds (distance) P-C4' energy: -126.575 flat angles C4'-P-C4' energy: -145.922 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -126.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1593.507520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.507520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.507520 (E_RNA) where: Base-Base interactions energy: -1030.224 where: short stacking energy: -468.171 Base-Backbone interact. energy: -2.024 local terms energy: -561.260025 where: bonds (distance) C4'-P energy: -99.949 bonds (distance) P-C4' energy: -121.214 flat angles C4'-P-C4' energy: -136.504 flat angles P-C4'-P energy: -88.620 tors. eta vs tors. theta energy: -114.973 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1219.392577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.392577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.392577 (E_RNA) where: Base-Base interactions energy: -751.662 where: short stacking energy: -359.454 Base-Backbone interact. energy: -5.031 local terms energy: -462.698754 where: bonds (distance) C4'-P energy: -115.824 bonds (distance) P-C4' energy: -110.655 flat angles C4'-P-C4' energy: -107.029 flat angles P-C4'-P energy: -67.087 tors. eta vs tors. theta energy: -62.103 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: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -751.449102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.449102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.449102 (E_RNA) where: Base-Base interactions energy: -356.809 where: short stacking energy: -204.564 Base-Backbone interact. energy: -2.235 local terms energy: -392.405874 where: bonds (distance) C4'-P energy: -121.582 bonds (distance) P-C4' energy: -120.316 flat angles C4'-P-C4' energy: -101.682 flat angles P-C4'-P energy: -53.716 tors. eta vs tors. theta energy: 4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -728.181890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.181890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.181890 (E_RNA) where: Base-Base interactions energy: -379.063 where: short stacking energy: -235.580 Base-Backbone interact. energy: 13.384 local terms energy: -362.502339 where: bonds (distance) C4'-P energy: -112.248 bonds (distance) P-C4' energy: -119.713 flat angles C4'-P-C4' energy: -76.044 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: 4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2376.241722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.241722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.241722 (E_RNA) where: Base-Base interactions energy: -1647.631 where: short stacking energy: -679.112 Base-Backbone interact. energy: 0.383 local terms energy: -728.994008 where: bonds (distance) C4'-P energy: -129.632 bonds (distance) P-C4' energy: -135.650 flat angles C4'-P-C4' energy: -150.240 flat angles P-C4'-P energy: -103.420 tors. eta vs tors. theta energy: -210.053 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: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2348.607789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.607789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.607789 (E_RNA) where: Base-Base interactions energy: -1612.699 where: short stacking energy: -681.157 Base-Backbone interact. energy: 0.301 local terms energy: -736.209862 where: bonds (distance) C4'-P energy: -134.975 bonds (distance) P-C4' energy: -142.815 flat angles C4'-P-C4' energy: -151.155 flat angles P-C4'-P energy: -99.047 tors. eta vs tors. theta energy: -208.217 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: 362 Temperature: 1.000000 Total energy: -2206.694673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.694673 (E_RNA) where: Base-Base interactions energy: -1496.740 where: short stacking energy: -621.015 Base-Backbone interact. energy: -7.164 local terms energy: -702.790791 where: bonds (distance) C4'-P energy: -122.067 bonds (distance) P-C4' energy: -125.469 flat angles C4'-P-C4' energy: -150.717 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -200.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2097.912369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.912369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.912369 (E_RNA) where: Base-Base interactions energy: -1436.349 where: short stacking energy: -630.788 Base-Backbone interact. energy: -0.346 local terms energy: -661.217006 where: bonds (distance) C4'-P energy: -121.171 bonds (distance) P-C4' energy: -136.514 flat angles C4'-P-C4' energy: -140.199 flat angles P-C4'-P energy: -89.401 tors. eta vs tors. theta energy: -173.932 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: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1884.627013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.627013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.627013 (E_RNA) where: Base-Base interactions energy: -1276.102 where: short stacking energy: -550.305 Base-Backbone interact. energy: -0.267 local terms energy: -608.257961 where: bonds (distance) C4'-P energy: -111.810 bonds (distance) P-C4' energy: -129.990 flat angles C4'-P-C4' energy: -131.264 flat angles P-C4'-P energy: -92.480 tors. eta vs tors. theta energy: -142.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1680.614550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.614550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.614550 (E_RNA) where: Base-Base interactions energy: -1087.732 where: short stacking energy: -486.935 Base-Backbone interact. energy: -1.307 local terms energy: -591.576237 where: bonds (distance) C4'-P energy: -120.607 bonds (distance) P-C4' energy: -124.854 flat angles C4'-P-C4' energy: -137.316 flat angles P-C4'-P energy: -81.572 tors. eta vs tors. theta energy: -127.228 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: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1623.751661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.751661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.751661 (E_RNA) where: Base-Base interactions energy: -1067.078 where: short stacking energy: -500.905 Base-Backbone interact. energy: -0.432 local terms energy: -556.242332 where: bonds (distance) C4'-P energy: -102.483 bonds (distance) P-C4' energy: -111.706 flat angles C4'-P-C4' energy: -132.671 flat angles P-C4'-P energy: -69.101 tors. eta vs tors. theta energy: -140.282 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: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1261.049582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.049582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.049582 (E_RNA) where: Base-Base interactions energy: -788.013 where: short stacking energy: -370.459 Base-Backbone interact. energy: -2.735 local terms energy: -470.301100 where: bonds (distance) C4'-P energy: -105.909 bonds (distance) P-C4' energy: -109.117 flat angles C4'-P-C4' energy: -111.043 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -64.432 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: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -787.036241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.036241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.036241 (E_RNA) where: Base-Base interactions energy: -398.006 where: short stacking energy: -223.997 Base-Backbone interact. energy: 0.752 local terms energy: -389.782428 where: bonds (distance) C4'-P energy: -98.626 bonds (distance) P-C4' energy: -116.178 flat angles C4'-P-C4' energy: -104.452 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -15.633 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: 10, replica: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -769.270501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.270501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.270501 (E_RNA) where: Base-Base interactions energy: -371.255 where: short stacking energy: -214.940 Base-Backbone interact. energy: -0.977 local terms energy: -397.038438 where: bonds (distance) C4'-P energy: -120.680 bonds (distance) P-C4' energy: -107.577 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -45.985 tors. eta vs tors. theta energy: -13.655 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2392.295089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.295089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.295089 (E_RNA) where: Base-Base interactions energy: -1641.434 where: short stacking energy: -704.021 Base-Backbone interact. energy: -3.897 local terms energy: -746.964083 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -131.905 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -207.934 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: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2316.656129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.656129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.656129 (E_RNA) where: Base-Base interactions energy: -1593.752 where: short stacking energy: -674.885 Base-Backbone interact. energy: -0.951 local terms energy: -721.953360 where: bonds (distance) C4'-P energy: -121.892 bonds (distance) P-C4' energy: -147.781 flat angles C4'-P-C4' energy: -146.711 flat angles P-C4'-P energy: -106.077 tors. eta vs tors. theta energy: -199.492 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: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2161.960282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.960282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.960282 (E_RNA) where: Base-Base interactions energy: -1495.609 where: short stacking energy: -638.762 Base-Backbone interact. energy: 0.683 local terms energy: -667.034622 where: bonds (distance) C4'-P energy: -122.378 bonds (distance) P-C4' energy: -119.567 flat angles C4'-P-C4' energy: -143.203 flat angles P-C4'-P energy: -97.733 tors. eta vs tors. theta energy: -184.153 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: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2119.643523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.643523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.643523 (E_RNA) where: Base-Base interactions energy: -1449.509 where: short stacking energy: -632.226 Base-Backbone interact. energy: -1.104 local terms energy: -669.030493 where: bonds (distance) C4'-P energy: -113.320 bonds (distance) P-C4' energy: -133.020 flat angles C4'-P-C4' energy: -136.541 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -190.856 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: 5, replica: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1844.373272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.373272 (E_RNA) where: Base-Base interactions energy: -1225.355 where: short stacking energy: -521.169 Base-Backbone interact. energy: -2.531 local terms energy: -616.487558 where: bonds (distance) C4'-P energy: -128.189 bonds (distance) P-C4' energy: -121.118 flat angles C4'-P-C4' energy: -127.969 flat angles P-C4'-P energy: -94.445 tors. eta vs tors. theta energy: -144.767 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1705.641871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.641871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.641871 (E_RNA) where: Base-Base interactions energy: -1110.034 where: short stacking energy: -502.057 Base-Backbone interact. energy: -2.417 local terms energy: -593.190921 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -129.019 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -82.721 tors. eta vs tors. theta energy: -136.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1581.523735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.523735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.523735 (E_RNA) where: Base-Base interactions energy: -1024.492 where: short stacking energy: -446.489 Base-Backbone interact. energy: -3.826 local terms energy: -553.205457 where: bonds (distance) C4'-P energy: -110.397 bonds (distance) P-C4' energy: -127.568 flat angles C4'-P-C4' energy: -117.260 flat angles P-C4'-P energy: -86.399 tors. eta vs tors. theta energy: -111.581 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: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1277.324543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.324543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.324543 (E_RNA) where: Base-Base interactions energy: -792.843 where: short stacking energy: -401.626 Base-Backbone interact. energy: 2.171 local terms energy: -486.652409 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -106.877 flat angles C4'-P-C4' energy: -120.162 flat angles P-C4'-P energy: -73.838 tors. eta vs tors. theta energy: -76.004 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: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -732.886500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.886500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.886500 (E_RNA) where: Base-Base interactions energy: -351.369 where: short stacking energy: -216.739 Base-Backbone interact. energy: 5.277 local terms energy: -386.794503 where: bonds (distance) C4'-P energy: -106.488 bonds (distance) P-C4' energy: -118.570 flat angles C4'-P-C4' energy: -99.464 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: 6.699 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: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -688.136273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.136273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.136273 (E_RNA) where: Base-Base interactions energy: -361.117 where: short stacking energy: -208.349 Base-Backbone interact. energy: -2.022 local terms energy: -324.997619 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -98.995 flat angles C4'-P-C4' energy: -93.082 flat angles P-C4'-P energy: -44.993 tors. eta vs tors. theta energy: 10.223 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: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2362.425340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.425340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.425340 (E_RNA) where: Base-Base interactions energy: -1626.538 where: short stacking energy: -686.447 Base-Backbone interact. energy: -1.495 local terms energy: -734.392518 where: bonds (distance) C4'-P energy: -133.944 bonds (distance) P-C4' energy: -130.369 flat angles C4'-P-C4' energy: -152.241 flat angles P-C4'-P energy: -108.814 tors. eta vs tors. theta energy: -209.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2304.490101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.490101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.490101 (E_RNA) where: Base-Base interactions energy: -1611.681 where: short stacking energy: -653.856 Base-Backbone interact. energy: -1.056 local terms energy: -691.752808 where: bonds (distance) C4'-P energy: -113.827 bonds (distance) P-C4' energy: -129.186 flat angles C4'-P-C4' energy: -152.237 flat angles P-C4'-P energy: -89.799 tors. eta vs tors. theta energy: -206.705 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2200.485175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.485175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.485175 (E_RNA) where: Base-Base interactions energy: -1498.216 where: short stacking energy: -642.785 Base-Backbone interact. energy: -5.341 local terms energy: -696.928077 where: bonds (distance) C4'-P energy: -138.473 bonds (distance) P-C4' energy: -116.047 flat angles C4'-P-C4' energy: -151.610 flat angles P-C4'-P energy: -93.640 tors. eta vs tors. theta energy: -197.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2097.689895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.689895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.689895 (E_RNA) where: Base-Base interactions energy: -1446.564 where: short stacking energy: -596.153 Base-Backbone interact. energy: -3.853 local terms energy: -647.273426 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -122.866 flat angles C4'-P-C4' energy: -135.081 flat angles P-C4'-P energy: -93.945 tors. eta vs tors. theta energy: -177.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1838.341939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.341939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.341939 (E_RNA) where: Base-Base interactions energy: -1206.039 where: short stacking energy: -520.509 Base-Backbone interact. energy: -3.809 local terms energy: -628.494174 where: bonds (distance) C4'-P energy: -112.304 bonds (distance) P-C4' energy: -138.360 flat angles C4'-P-C4' energy: -151.333 flat angles P-C4'-P energy: -81.152 tors. eta vs tors. theta energy: -145.345 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: 364 Temperature: 1.150000 Total energy: -1763.947287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.947287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.947287 (E_RNA) where: Base-Base interactions energy: -1179.101 where: short stacking energy: -561.580 Base-Backbone interact. energy: -0.253 local terms energy: -584.592723 where: bonds (distance) C4'-P energy: -106.093 bonds (distance) P-C4' energy: -118.074 flat angles C4'-P-C4' energy: -131.584 flat angles P-C4'-P energy: -80.505 tors. eta vs tors. theta energy: -148.337 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: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1564.712348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.712348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.712348 (E_RNA) where: Base-Base interactions energy: -1011.404 where: short stacking energy: -422.996 Base-Backbone interact. energy: 2.499 local terms energy: -555.807069 where: bonds (distance) C4'-P energy: -126.995 bonds (distance) P-C4' energy: -115.453 flat angles C4'-P-C4' energy: -121.223 flat angles P-C4'-P energy: -81.871 tors. eta vs tors. theta energy: -110.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1295.433158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.433158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.433158 (E_RNA) where: Base-Base interactions energy: -829.144 where: short stacking energy: -384.090 Base-Backbone interact. energy: 2.829 local terms energy: -469.117751 where: bonds (distance) C4'-P energy: -101.645 bonds (distance) P-C4' energy: -129.772 flat angles C4'-P-C4' energy: -97.007 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: -78.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -740.268645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.268645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.268645 (E_RNA) where: Base-Base interactions energy: -347.489 where: short stacking energy: -201.665 Base-Backbone interact. energy: -3.408 local terms energy: -389.370869 where: bonds (distance) C4'-P energy: -99.629 bonds (distance) P-C4' energy: -120.751 flat angles C4'-P-C4' energy: -86.681 flat angles P-C4'-P energy: -71.071 tors. eta vs tors. theta energy: -11.239 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: 6 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -687.681911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.681911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.681911 (E_RNA) where: Base-Base interactions energy: -330.227 where: short stacking energy: -165.759 Base-Backbone interact. energy: 1.260 local terms energy: -358.713945 where: bonds (distance) C4'-P energy: -105.095 bonds (distance) P-C4' energy: -114.531 flat angles C4'-P-C4' energy: -86.097 flat angles P-C4'-P energy: -63.988 tors. eta vs tors. theta energy: 10.997 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2341.633705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.633705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.633705 (E_RNA) where: Base-Base interactions energy: -1630.227 where: short stacking energy: -704.465 Base-Backbone interact. energy: -2.609 local terms energy: -708.797547 where: bonds (distance) C4'-P energy: -117.337 bonds (distance) P-C4' energy: -141.690 flat angles C4'-P-C4' energy: -148.302 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -204.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2305.187348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.187348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.187348 (E_RNA) where: Base-Base interactions energy: -1594.393 where: short stacking energy: -675.691 Base-Backbone interact. energy: -0.509 local terms energy: -710.285915 where: bonds (distance) C4'-P energy: -134.939 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -147.650 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -197.737 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: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2187.464875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.464875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.464875 (E_RNA) where: Base-Base interactions energy: -1508.835 where: short stacking energy: -646.884 Base-Backbone interact. energy: -0.306 local terms energy: -678.324042 where: bonds (distance) C4'-P energy: -122.026 bonds (distance) P-C4' energy: -141.673 flat angles C4'-P-C4' energy: -134.246 flat angles P-C4'-P energy: -89.874 tors. eta vs tors. theta energy: -190.504 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: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2116.603712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.603712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.603712 (E_RNA) where: Base-Base interactions energy: -1461.738 where: short stacking energy: -612.366 Base-Backbone interact. energy: -4.891 local terms energy: -649.974813 where: bonds (distance) C4'-P energy: -127.169 bonds (distance) P-C4' energy: -113.855 flat angles C4'-P-C4' energy: -121.639 flat angles P-C4'-P energy: -104.565 tors. eta vs tors. theta energy: -182.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1866.909593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.909593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.909593 (E_RNA) where: Base-Base interactions energy: -1250.019 where: short stacking energy: -554.107 Base-Backbone interact. energy: -2.141 local terms energy: -614.748970 where: bonds (distance) C4'-P energy: -111.776 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -135.078 flat angles P-C4'-P energy: -96.151 tors. eta vs tors. theta energy: -143.810 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: 6, replica: 8 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1730.883244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.883244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.883244 (E_RNA) where: Base-Base interactions energy: -1164.909 where: short stacking energy: -497.469 Base-Backbone interact. energy: -0.687 local terms energy: -565.288091 where: bonds (distance) C4'-P energy: -126.332 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -131.927 flat angles P-C4'-P energy: -78.588 tors. eta vs tors. theta energy: -143.557 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1560.027622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.027622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.027622 (E_RNA) where: Base-Base interactions energy: -1030.445 where: short stacking energy: -472.207 Base-Backbone interact. energy: -2.692 local terms energy: -526.890378 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -108.146 flat angles C4'-P-C4' energy: -130.001 flat angles P-C4'-P energy: -56.783 tors. eta vs tors. theta energy: -118.192 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: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1351.962329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.962329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.962329 (E_RNA) where: Base-Base interactions energy: -886.317 where: short stacking energy: -376.131 Base-Backbone interact. energy: -3.666 local terms energy: -461.978841 where: bonds (distance) C4'-P energy: -100.524 bonds (distance) P-C4' energy: -96.344 flat angles C4'-P-C4' energy: -116.146 flat angles P-C4'-P energy: -75.328 tors. eta vs tors. theta energy: -73.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -791.565092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.565092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.565092 (E_RNA) where: Base-Base interactions energy: -406.363 where: short stacking energy: -224.575 Base-Backbone interact. energy: 5.394 local terms energy: -390.596488 where: bonds (distance) C4'-P energy: -106.834 bonds (distance) P-C4' energy: -113.068 flat angles C4'-P-C4' energy: -111.728 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -9.987 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: 365 Temperature: 1.350000 Total energy: -663.183016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.183016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.183016 (E_RNA) where: Base-Base interactions energy: -316.358 where: short stacking energy: -191.997 Base-Backbone interact. energy: -2.020 local terms energy: -344.804980 where: bonds (distance) C4'-P energy: -96.885 bonds (distance) P-C4' energy: -127.871 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -44.542 tors. eta vs tors. theta energy: 18.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2382.009426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.009426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.009426 (E_RNA) where: Base-Base interactions energy: -1667.592 where: short stacking energy: -705.312 Base-Backbone interact. energy: 3.106 local terms energy: -717.523505 where: bonds (distance) C4'-P energy: -113.918 bonds (distance) P-C4' energy: -132.534 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -211.380 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: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2288.785887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.785887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.785887 (E_RNA) where: Base-Base interactions energy: -1583.916 where: short stacking energy: -669.537 Base-Backbone interact. energy: 0.730 local terms energy: -705.600361 where: bonds (distance) C4'-P energy: -134.329 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -95.212 tors. eta vs tors. theta energy: -198.753 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: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2148.342309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.342309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.342309 (E_RNA) where: Base-Base interactions energy: -1481.971 where: short stacking energy: -645.712 Base-Backbone interact. energy: -1.218 local terms energy: -665.153007 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -115.545 flat angles C4'-P-C4' energy: -136.879 flat angles P-C4'-P energy: -105.148 tors. eta vs tors. theta energy: -195.757 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: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2119.276753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.276753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.276753 (E_RNA) where: Base-Base interactions energy: -1461.128 where: short stacking energy: -610.612 Base-Backbone interact. energy: -1.619 local terms energy: -656.529943 where: bonds (distance) C4'-P energy: -118.347 bonds (distance) P-C4' energy: -120.214 flat angles C4'-P-C4' energy: -142.312 flat angles P-C4'-P energy: -89.497 tors. eta vs tors. theta energy: -186.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1851.068235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.068235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.068235 (E_RNA) where: Base-Base interactions energy: -1215.163 where: short stacking energy: -553.585 Base-Backbone interact. energy: -1.752 local terms energy: -634.153134 where: bonds (distance) C4'-P energy: -125.137 bonds (distance) P-C4' energy: -132.534 flat angles C4'-P-C4' energy: -141.894 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -157.663 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: 8 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1679.283393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.283393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.283393 (E_RNA) where: Base-Base interactions energy: -1111.680 where: short stacking energy: -515.420 Base-Backbone interact. energy: -1.772 local terms energy: -565.831586 where: bonds (distance) C4'-P energy: -106.543 bonds (distance) P-C4' energy: -115.623 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -85.960 tors. eta vs tors. theta energy: -133.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1613.735387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.735387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.735387 (E_RNA) where: Base-Base interactions energy: -1065.389 where: short stacking energy: -453.961 Base-Backbone interact. energy: 2.641 local terms energy: -550.987231 where: bonds (distance) C4'-P energy: -114.781 bonds (distance) P-C4' energy: -129.973 flat angles C4'-P-C4' energy: -108.019 flat angles P-C4'-P energy: -77.741 tors. eta vs tors. theta energy: -120.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1239.064322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.064322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.064322 (E_RNA) where: Base-Base interactions energy: -794.936 where: short stacking energy: -345.882 Base-Backbone interact. energy: -3.716 local terms energy: -440.412619 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -97.007 flat angles C4'-P-C4' energy: -103.213 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -68.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -826.795521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.795521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.795521 (E_RNA) where: Base-Base interactions energy: -422.552 where: short stacking energy: -224.624 Base-Backbone interact. energy: 4.102 local terms energy: -408.346023 where: bonds (distance) C4'-P energy: -113.377 bonds (distance) P-C4' energy: -120.791 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -48.419 tors. eta vs tors. theta energy: -8.492 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: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -656.281084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.281084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.281084 (E_RNA) where: Base-Base interactions energy: -313.632 where: short stacking energy: -188.713 Base-Backbone interact. energy: 2.604 local terms energy: -345.253799 where: bonds (distance) C4'-P energy: -99.479 bonds (distance) P-C4' energy: -134.916 flat angles C4'-P-C4' energy: -83.439 flat angles P-C4'-P energy: -34.780 tors. eta vs tors. theta energy: 7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2388.595330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.595330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.595330 (E_RNA) where: Base-Base interactions energy: -1669.906 where: short stacking energy: -721.350 Base-Backbone interact. energy: -1.611 local terms energy: -717.078511 where: bonds (distance) C4'-P energy: -123.088 bonds (distance) P-C4' energy: -131.908 flat angles C4'-P-C4' energy: -158.581 flat angles P-C4'-P energy: -93.679 tors. eta vs tors. theta energy: -209.823 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: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2276.493257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.493257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.493257 (E_RNA) where: Base-Base interactions energy: -1567.871 where: short stacking energy: -671.167 Base-Backbone interact. energy: -1.838 local terms energy: -706.784255 where: bonds (distance) C4'-P energy: -122.872 bonds (distance) P-C4' energy: -138.428 flat angles C4'-P-C4' energy: -135.551 flat angles P-C4'-P energy: -100.266 tors. eta vs tors. theta energy: -209.667 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: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2175.846464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.846464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.846464 (E_RNA) where: Base-Base interactions energy: -1473.998 where: short stacking energy: -636.862 Base-Backbone interact. energy: -2.170 local terms energy: -699.678474 where: bonds (distance) C4'-P energy: -139.359 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -141.045 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -196.109 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: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2108.328735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.328735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.328735 (E_RNA) where: Base-Base interactions energy: -1451.886 where: short stacking energy: -629.145 Base-Backbone interact. energy: -2.339 local terms energy: -654.103461 where: bonds (distance) C4'-P energy: -109.331 bonds (distance) P-C4' energy: -119.708 flat angles C4'-P-C4' energy: -146.520 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -184.966 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: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1767.168779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.168779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.168779 (E_RNA) where: Base-Base interactions energy: -1151.060 where: short stacking energy: -489.676 Base-Backbone interact. energy: -0.376 local terms energy: -615.732837 where: bonds (distance) C4'-P energy: -123.483 bonds (distance) P-C4' energy: -127.617 flat angles C4'-P-C4' energy: -136.275 flat angles P-C4'-P energy: -97.979 tors. eta vs tors. theta energy: -130.379 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: 6, replica: 8 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1688.115813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.115813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.115813 (E_RNA) where: Base-Base interactions energy: -1124.645 where: short stacking energy: -507.853 Base-Backbone interact. energy: -2.674 local terms energy: -560.796659 where: bonds (distance) C4'-P energy: -93.459 bonds (distance) P-C4' energy: -115.841 flat angles C4'-P-C4' energy: -119.230 flat angles P-C4'-P energy: -92.715 tors. eta vs tors. theta energy: -139.552 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: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1691.656253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.656253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.656253 (E_RNA) where: Base-Base interactions energy: -1108.947 where: short stacking energy: -489.592 Base-Backbone interact. energy: 1.120 local terms energy: -583.829450 where: bonds (distance) C4'-P energy: -119.528 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -131.742 flat angles P-C4'-P energy: -68.118 tors. eta vs tors. theta energy: -128.073 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: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1337.683855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.683855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.683855 (E_RNA) where: Base-Base interactions energy: -861.599 where: short stacking energy: -388.423 Base-Backbone interact. energy: -0.837 local terms energy: -475.247727 where: bonds (distance) C4'-P energy: -102.938 bonds (distance) P-C4' energy: -103.092 flat angles C4'-P-C4' energy: -135.552 flat angles P-C4'-P energy: -60.611 tors. eta vs tors. theta energy: -73.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -864.041390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.041390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.041390 (E_RNA) where: Base-Base interactions energy: -431.716 where: short stacking energy: -241.982 Base-Backbone interact. energy: -0.868 local terms energy: -431.458323 where: bonds (distance) C4'-P energy: -116.753 bonds (distance) P-C4' energy: -130.899 flat angles C4'-P-C4' energy: -100.725 flat angles P-C4'-P energy: -73.992 tors. eta vs tors. theta energy: -9.089 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: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -748.890723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.890723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.890723 (E_RNA) where: Base-Base interactions energy: -385.503 where: short stacking energy: -212.399 Base-Backbone interact. energy: 3.882 local terms energy: -367.269370 where: bonds (distance) C4'-P energy: -112.991 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -91.395 flat angles P-C4'-P energy: -49.490 tors. eta vs tors. theta energy: -2.196 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: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2400.966230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.966230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.966230 (E_RNA) where: Base-Base interactions energy: -1652.721 where: short stacking energy: -696.435 Base-Backbone interact. energy: -2.020 local terms energy: -746.225997 where: bonds (distance) C4'-P energy: -139.945 bonds (distance) P-C4' energy: -130.065 flat angles C4'-P-C4' energy: -148.791 flat angles P-C4'-P energy: -102.643 tors. eta vs tors. theta energy: -224.781 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: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2329.486449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.486449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.486449 (E_RNA) where: Base-Base interactions energy: -1608.983 where: short stacking energy: -669.948 Base-Backbone interact. energy: -0.868 local terms energy: -719.635344 where: bonds (distance) C4'-P energy: -139.544 bonds (distance) P-C4' energy: -118.946 flat angles C4'-P-C4' energy: -149.184 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -218.445 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: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2193.991175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.991175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.991175 (E_RNA) where: Base-Base interactions energy: -1485.852 where: short stacking energy: -645.690 Base-Backbone interact. energy: 1.255 local terms energy: -709.394649 where: bonds (distance) C4'-P energy: -123.838 bonds (distance) P-C4' energy: -132.670 flat angles C4'-P-C4' energy: -153.570 flat angles P-C4'-P energy: -93.122 tors. eta vs tors. theta energy: -206.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2135.410421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.410421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.410421 (E_RNA) where: Base-Base interactions energy: -1474.259 where: short stacking energy: -622.403 Base-Backbone interact. energy: -0.515 local terms energy: -660.636375 where: bonds (distance) C4'-P energy: -118.077 bonds (distance) P-C4' energy: -114.965 flat angles C4'-P-C4' energy: -142.558 flat angles P-C4'-P energy: -96.476 tors. eta vs tors. theta energy: -188.560 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: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1763.463203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.463203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.463203 (E_RNA) where: Base-Base interactions energy: -1192.081 where: short stacking energy: -525.577 Base-Backbone interact. energy: 3.007 local terms energy: -574.389630 where: bonds (distance) C4'-P energy: -118.820 bonds (distance) P-C4' energy: -113.822 flat angles C4'-P-C4' energy: -136.652 flat angles P-C4'-P energy: -78.896 tors. eta vs tors. theta energy: -126.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1683.115277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.115277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.115277 (E_RNA) where: Base-Base interactions energy: -1101.549 where: short stacking energy: -480.606 Base-Backbone interact. energy: -4.712 local terms energy: -576.854822 where: bonds (distance) C4'-P energy: -97.708 bonds (distance) P-C4' energy: -115.051 flat angles C4'-P-C4' energy: -136.745 flat angles P-C4'-P energy: -81.495 tors. eta vs tors. theta energy: -145.855 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: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1617.678136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.678136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.678136 (E_RNA) where: Base-Base interactions energy: -1075.114 where: short stacking energy: -478.092 Base-Backbone interact. energy: -1.268 local terms energy: -541.296354 where: bonds (distance) C4'-P energy: -119.480 bonds (distance) P-C4' energy: -120.555 flat angles C4'-P-C4' energy: -116.475 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -117.701 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: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1324.101568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.101568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.101568 (E_RNA) where: Base-Base interactions energy: -849.911 where: short stacking energy: -394.723 Base-Backbone interact. energy: 1.491 local terms energy: -475.682176 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -132.029 flat angles C4'-P-C4' energy: -115.697 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -73.577 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: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -875.681467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.681467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.681467 (E_RNA) where: Base-Base interactions energy: -466.731 where: short stacking energy: -244.141 Base-Backbone interact. energy: -1.407 local terms energy: -407.543643 where: bonds (distance) C4'-P energy: -94.894 bonds (distance) P-C4' energy: -99.598 flat angles C4'-P-C4' energy: -107.521 flat angles P-C4'-P energy: -60.055 tors. eta vs tors. theta energy: -45.475 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: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -797.426952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.426952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.426952 (E_RNA) where: Base-Base interactions energy: -431.094 where: short stacking energy: -238.967 Base-Backbone interact. energy: 2.720 local terms energy: -369.053064 where: bonds (distance) C4'-P energy: -91.008 bonds (distance) P-C4' energy: -114.974 flat angles C4'-P-C4' energy: -80.776 flat angles P-C4'-P energy: -67.820 tors. eta vs tors. theta energy: -14.475 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: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2389.752688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.752688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.752688 (E_RNA) where: Base-Base interactions energy: -1646.933 where: short stacking energy: -702.752 Base-Backbone interact. energy: -3.219 local terms energy: -739.600262 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -131.967 flat angles C4'-P-C4' energy: -153.072 flat angles P-C4'-P energy: -115.136 tors. eta vs tors. theta energy: -214.678 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: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2294.562515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.562515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.562515 (E_RNA) where: Base-Base interactions energy: -1613.297 where: short stacking energy: -670.549 Base-Backbone interact. energy: -0.641 local terms energy: -680.625083 where: bonds (distance) C4'-P energy: -130.929 bonds (distance) P-C4' energy: -122.951 flat angles C4'-P-C4' energy: -152.261 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -192.792 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: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2206.409505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.409505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.409505 (E_RNA) where: Base-Base interactions energy: -1500.982 where: short stacking energy: -654.255 Base-Backbone interact. energy: -3.630 local terms energy: -701.797610 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -130.568 flat angles C4'-P-C4' energy: -143.391 flat angles P-C4'-P energy: -104.904 tors. eta vs tors. theta energy: -196.337 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: 369 Temperature: 1.050000 Total energy: -2127.557241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.557241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.557241 (E_RNA) where: Base-Base interactions energy: -1482.120 where: short stacking energy: -624.347 Base-Backbone interact. energy: -3.060 local terms energy: -642.377434 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -115.313 flat angles C4'-P-C4' energy: -141.207 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: -181.115 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: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1751.471168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.471168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.471168 (E_RNA) where: Base-Base interactions energy: -1168.893 where: short stacking energy: -532.981 Base-Backbone interact. energy: -1.005 local terms energy: -581.573372 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -99.913 flat angles C4'-P-C4' energy: -143.147 flat angles P-C4'-P energy: -101.628 tors. eta vs tors. theta energy: -142.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1705.816085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.816085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.816085 (E_RNA) where: Base-Base interactions energy: -1148.353 where: short stacking energy: -491.173 Base-Backbone interact. energy: -0.728 local terms energy: -556.734910 where: bonds (distance) C4'-P energy: -92.422 bonds (distance) P-C4' energy: -115.406 flat angles C4'-P-C4' energy: -128.172 flat angles P-C4'-P energy: -86.761 tors. eta vs tors. theta energy: -133.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1612.023260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.023260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.023260 (E_RNA) where: Base-Base interactions energy: -1084.949 where: short stacking energy: -470.022 Base-Backbone interact. energy: 2.666 local terms energy: -529.740984 where: bonds (distance) C4'-P energy: -107.934 bonds (distance) P-C4' energy: -111.362 flat angles C4'-P-C4' energy: -124.397 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -126.612 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: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1294.882966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.882966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.882966 (E_RNA) where: Base-Base interactions energy: -818.742 where: short stacking energy: -371.420 Base-Backbone interact. energy: 0.486 local terms energy: -476.626671 where: bonds (distance) C4'-P energy: -109.932 bonds (distance) P-C4' energy: -126.952 flat angles C4'-P-C4' energy: -104.517 flat angles P-C4'-P energy: -71.272 tors. eta vs tors. theta energy: -63.953 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: 9, replica: 6 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -917.365123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.365123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.365123 (E_RNA) where: Base-Base interactions energy: -500.258 where: short stacking energy: -273.913 Base-Backbone interact. energy: 4.918 local terms energy: -422.025112 where: bonds (distance) C4'-P energy: -107.886 bonds (distance) P-C4' energy: -118.757 flat angles C4'-P-C4' energy: -109.677 flat angles P-C4'-P energy: -54.184 tors. eta vs tors. theta energy: -31.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -759.208225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.208225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.208225 (E_RNA) where: Base-Base interactions energy: -379.884 where: short stacking energy: -229.585 Base-Backbone interact. energy: 4.281 local terms energy: -383.604868 where: bonds (distance) C4'-P energy: -115.898 bonds (distance) P-C4' energy: -117.760 flat angles C4'-P-C4' energy: -88.825 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2375.085240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.085240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.085240 (E_RNA) where: Base-Base interactions energy: -1644.743 where: short stacking energy: -692.154 Base-Backbone interact. energy: -6.667 local terms energy: -723.674463 where: bonds (distance) C4'-P energy: -130.301 bonds (distance) P-C4' energy: -139.204 flat angles C4'-P-C4' energy: -142.031 flat angles P-C4'-P energy: -103.220 tors. eta vs tors. theta energy: -208.918 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: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2291.251270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.251270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.251270 (E_RNA) where: Base-Base interactions energy: -1584.144 where: short stacking energy: -653.947 Base-Backbone interact. energy: -4.868 local terms energy: -702.238883 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -141.613 flat angles C4'-P-C4' energy: -138.993 flat angles P-C4'-P energy: -92.564 tors. eta vs tors. theta energy: -202.857 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: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2225.017462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.017462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.017462 (E_RNA) where: Base-Base interactions energy: -1541.411 where: short stacking energy: -674.886 Base-Backbone interact. energy: 2.560 local terms energy: -686.167035 where: bonds (distance) C4'-P energy: -123.190 bonds (distance) P-C4' energy: -132.558 flat angles C4'-P-C4' energy: -138.671 flat angles P-C4'-P energy: -94.114 tors. eta vs tors. theta energy: -197.635 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: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2067.192035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.192035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.192035 (E_RNA) where: Base-Base interactions energy: -1403.168 where: short stacking energy: -583.967 Base-Backbone interact. energy: -2.375 local terms energy: -661.649376 where: bonds (distance) C4'-P energy: -138.583 bonds (distance) P-C4' energy: -116.557 flat angles C4'-P-C4' energy: -146.196 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -174.966 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: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1760.998517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.998517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.998517 (E_RNA) where: Base-Base interactions energy: -1168.165 where: short stacking energy: -512.823 Base-Backbone interact. energy: 0.218 local terms energy: -593.050879 where: bonds (distance) C4'-P energy: -109.153 bonds (distance) P-C4' energy: -111.512 flat angles C4'-P-C4' energy: -139.668 flat angles P-C4'-P energy: -102.340 tors. eta vs tors. theta energy: -130.377 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: 6, replica: 8 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1743.924617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.924617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.924617 (E_RNA) where: Base-Base interactions energy: -1159.869 where: short stacking energy: -505.809 Base-Backbone interact. energy: -3.786 local terms energy: -580.269003 where: bonds (distance) C4'-P energy: -105.177 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -130.453 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -135.938 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: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1616.378182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.378182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.378182 (E_RNA) where: Base-Base interactions energy: -1075.533 where: short stacking energy: -475.449 Base-Backbone interact. energy: 4.896 local terms energy: -545.741200 where: bonds (distance) C4'-P energy: -94.664 bonds (distance) P-C4' energy: -105.338 flat angles C4'-P-C4' energy: -139.009 flat angles P-C4'-P energy: -78.886 tors. eta vs tors. theta energy: -127.844 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: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1303.136221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.136221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.136221 (E_RNA) where: Base-Base interactions energy: -812.904 where: short stacking energy: -362.081 Base-Backbone interact. energy: -4.689 local terms energy: -485.543164 where: bonds (distance) C4'-P energy: -109.258 bonds (distance) P-C4' energy: -125.614 flat angles C4'-P-C4' energy: -120.174 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -59.905 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: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -849.092797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.092797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.092797 (E_RNA) where: Base-Base interactions energy: -452.549 where: short stacking energy: -246.516 Base-Backbone interact. energy: 2.676 local terms energy: -399.220590 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -115.994 flat angles C4'-P-C4' energy: -101.859 flat angles P-C4'-P energy: -61.308 tors. eta vs tors. theta energy: -18.926 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: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -727.363427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.363427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.363427 (E_RNA) where: Base-Base interactions energy: -350.438 where: short stacking energy: -188.787 Base-Backbone interact. energy: 6.656 local terms energy: -383.580722 where: bonds (distance) C4'-P energy: -102.154 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -91.861 flat angles P-C4'-P energy: -48.680 tors. eta vs tors. theta energy: -17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2376.768268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.768268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.768268 (E_RNA) where: Base-Base interactions energy: -1634.436 where: short stacking energy: -684.579 Base-Backbone interact. energy: -1.868 local terms energy: -740.464053 where: bonds (distance) C4'-P energy: -131.344 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -153.201 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -203.169 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: 371 Temperature: 0.950000 Total energy: -2298.649001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.649001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.649001 (E_RNA) where: Base-Base interactions energy: -1601.727 where: short stacking energy: -674.811 Base-Backbone interact. energy: 0.449 local terms energy: -697.371656 where: bonds (distance) C4'-P energy: -131.564 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -145.267 flat angles P-C4'-P energy: -87.959 tors. eta vs tors. theta energy: -208.674 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: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2230.026621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.026621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.026621 (E_RNA) where: Base-Base interactions energy: -1529.471 where: short stacking energy: -694.835 Base-Backbone interact. energy: -2.822 local terms energy: -697.733540 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -122.115 flat angles C4'-P-C4' energy: -156.438 flat angles P-C4'-P energy: -101.120 tors. eta vs tors. theta energy: -206.505 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: 4, replica: 10 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2096.043784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.043784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.043784 (E_RNA) where: Base-Base interactions energy: -1436.352 where: short stacking energy: -616.061 Base-Backbone interact. energy: -0.514 local terms energy: -659.177813 where: bonds (distance) C4'-P energy: -129.740 bonds (distance) P-C4' energy: -116.058 flat angles C4'-P-C4' energy: -153.112 flat angles P-C4'-P energy: -87.796 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: 5, replica: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1808.339895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.339895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.339895 (E_RNA) where: Base-Base interactions energy: -1218.049 where: short stacking energy: -515.123 Base-Backbone interact. energy: -1.777 local terms energy: -588.513914 where: bonds (distance) C4'-P energy: -108.766 bonds (distance) P-C4' energy: -122.653 flat angles C4'-P-C4' energy: -127.711 flat angles P-C4'-P energy: -94.666 tors. eta vs tors. theta energy: -134.719 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: 371 Temperature: 1.150000 Total energy: -1735.502071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.502071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.502071 (E_RNA) where: Base-Base interactions energy: -1181.097 where: short stacking energy: -509.065 Base-Backbone interact. energy: 0.718 local terms energy: -555.122686 where: bonds (distance) C4'-P energy: -107.643 bonds (distance) P-C4' energy: -113.826 flat angles C4'-P-C4' energy: -119.785 flat angles P-C4'-P energy: -85.339 tors. eta vs tors. theta energy: -128.529 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: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1655.425211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.425211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.425211 (E_RNA) where: Base-Base interactions energy: -1102.270 where: short stacking energy: -469.489 Base-Backbone interact. energy: 2.073 local terms energy: -555.228375 where: bonds (distance) C4'-P energy: -102.602 bonds (distance) P-C4' energy: -108.263 flat angles C4'-P-C4' energy: -120.486 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -133.187 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: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1295.448814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.448814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.448814 (E_RNA) where: Base-Base interactions energy: -794.633 where: short stacking energy: -362.277 Base-Backbone interact. energy: -4.561 local terms energy: -496.255158 where: bonds (distance) C4'-P energy: -101.367 bonds (distance) P-C4' energy: -124.022 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -81.531 tors. eta vs tors. theta energy: -77.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -881.466956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.466956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.466956 (E_RNA) where: Base-Base interactions energy: -465.488 where: short stacking energy: -279.616 Base-Backbone interact. energy: -0.901 local terms energy: -415.078636 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -108.854 flat angles C4'-P-C4' energy: -110.967 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -38.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -715.962140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.962140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.962140 (E_RNA) where: Base-Base interactions energy: -370.369 where: short stacking energy: -206.872 Base-Backbone interact. energy: -0.242 local terms energy: -345.351287 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -105.801 flat angles C4'-P-C4' energy: -103.559 flat angles P-C4'-P energy: -43.267 tors. eta vs tors. theta energy: 8.678 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: 1, replica: 7 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2377.419837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.419837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.419837 (E_RNA) where: Base-Base interactions energy: -1664.076 where: short stacking energy: -693.203 Base-Backbone interact. energy: -0.420 local terms energy: -712.924215 where: bonds (distance) C4'-P energy: -119.173 bonds (distance) P-C4' energy: -131.779 flat angles C4'-P-C4' energy: -157.728 flat angles P-C4'-P energy: -96.600 tors. eta vs tors. theta energy: -207.645 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: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2342.516882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.516882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.516882 (E_RNA) where: Base-Base interactions energy: -1632.478 where: short stacking energy: -690.150 Base-Backbone interact. energy: -1.951 local terms energy: -708.088283 where: bonds (distance) C4'-P energy: -133.961 bonds (distance) P-C4' energy: -122.039 flat angles C4'-P-C4' energy: -154.862 flat angles P-C4'-P energy: -87.764 tors. eta vs tors. theta energy: -209.462 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: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2229.148842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.148842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.148842 (E_RNA) where: Base-Base interactions energy: -1519.987 where: short stacking energy: -657.157 Base-Backbone interact. energy: -3.567 local terms energy: -705.595322 where: bonds (distance) C4'-P energy: -126.431 bonds (distance) P-C4' energy: -129.912 flat angles C4'-P-C4' energy: -163.130 flat angles P-C4'-P energy: -89.028 tors. eta vs tors. theta energy: -197.093 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: 4, replica: 10 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2095.523375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.523375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.523375 (E_RNA) where: Base-Base interactions energy: -1438.572 where: short stacking energy: -637.225 Base-Backbone interact. energy: -4.071 local terms energy: -652.880093 where: bonds (distance) C4'-P energy: -124.671 bonds (distance) P-C4' energy: -109.416 flat angles C4'-P-C4' energy: -139.587 flat angles P-C4'-P energy: -92.187 tors. eta vs tors. theta energy: -187.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1737.858738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.858738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.858738 (E_RNA) where: Base-Base interactions energy: -1162.034 where: short stacking energy: -503.145 Base-Backbone interact. energy: 1.289 local terms energy: -577.113742 where: bonds (distance) C4'-P energy: -109.970 bonds (distance) P-C4' energy: -119.920 flat angles C4'-P-C4' energy: -127.511 flat angles P-C4'-P energy: -101.067 tors. eta vs tors. theta energy: -118.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1736.015088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.015088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.015088 (E_RNA) where: Base-Base interactions energy: -1179.723 where: short stacking energy: -514.880 Base-Backbone interact. energy: -1.276 local terms energy: -555.016163 where: bonds (distance) C4'-P energy: -112.267 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -124.579 flat angles P-C4'-P energy: -65.758 tors. eta vs tors. theta energy: -133.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1712.027750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.027750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.027750 (E_RNA) where: Base-Base interactions energy: -1131.411 where: short stacking energy: -510.799 Base-Backbone interact. energy: -0.190 local terms energy: -580.427068 where: bonds (distance) C4'-P energy: -115.619 bonds (distance) P-C4' energy: -121.034 flat angles C4'-P-C4' energy: -123.712 flat angles P-C4'-P energy: -72.463 tors. eta vs tors. theta energy: -147.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1333.815337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.815337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.815337 (E_RNA) where: Base-Base interactions energy: -832.058 where: short stacking energy: -384.448 Base-Backbone interact. energy: 0.178 local terms energy: -501.934782 where: bonds (distance) C4'-P energy: -137.771 bonds (distance) P-C4' energy: -126.656 flat angles C4'-P-C4' energy: -98.868 flat angles P-C4'-P energy: -78.467 tors. eta vs tors. theta energy: -60.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -832.932424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.932424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.932424 (E_RNA) where: Base-Base interactions energy: -450.896 where: short stacking energy: -246.372 Base-Backbone interact. energy: 0.377 local terms energy: -382.413315 where: bonds (distance) C4'-P energy: -96.449 bonds (distance) P-C4' energy: -110.285 flat angles C4'-P-C4' energy: -103.760 flat angles P-C4'-P energy: -63.243 tors. eta vs tors. theta energy: -8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -729.253505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.253505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.253505 (E_RNA) where: Base-Base interactions energy: -360.590 where: short stacking energy: -190.705 Base-Backbone interact. energy: -1.923 local terms energy: -366.740540 where: bonds (distance) C4'-P energy: -123.927 bonds (distance) P-C4' energy: -111.664 flat angles C4'-P-C4' energy: -92.359 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: 12.475 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: 1, replica: 7 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2404.360060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.360060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.360060 (E_RNA) where: Base-Base interactions energy: -1645.145 where: short stacking energy: -700.097 Base-Backbone interact. energy: -3.925 local terms energy: -755.290017 where: bonds (distance) C4'-P energy: -121.910 bonds (distance) P-C4' energy: -149.318 flat angles C4'-P-C4' energy: -162.993 flat angles P-C4'-P energy: -111.611 tors. eta vs tors. theta energy: -209.459 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2331.462173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.462173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.462173 (E_RNA) where: Base-Base interactions energy: -1625.148 where: short stacking energy: -698.378 Base-Backbone interact. energy: -3.170 local terms energy: -703.144183 where: bonds (distance) C4'-P energy: -121.147 bonds (distance) P-C4' energy: -127.814 flat angles C4'-P-C4' energy: -156.992 flat angles P-C4'-P energy: -102.142 tors. eta vs tors. theta energy: -195.049 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: 3, replica: 2 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2234.112914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.112914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.112914 (E_RNA) where: Base-Base interactions energy: -1566.648 where: short stacking energy: -672.178 Base-Backbone interact. energy: -0.287 local terms energy: -667.177880 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -120.999 flat angles C4'-P-C4' energy: -143.533 flat angles P-C4'-P energy: -85.578 tors. eta vs tors. theta energy: -203.063 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: 4, replica: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2091.423903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.423903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.423903 (E_RNA) where: Base-Base interactions energy: -1438.926 where: short stacking energy: -603.336 Base-Backbone interact. energy: -2.966 local terms energy: -649.531752 where: bonds (distance) C4'-P energy: -134.275 bonds (distance) P-C4' energy: -108.614 flat angles C4'-P-C4' energy: -131.308 flat angles P-C4'-P energy: -94.464 tors. eta vs tors. theta energy: -180.870 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: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1797.669785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.669785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.669785 (E_RNA) where: Base-Base interactions energy: -1219.658 where: short stacking energy: -552.204 Base-Backbone interact. energy: -0.895 local terms energy: -577.117402 where: bonds (distance) C4'-P energy: -119.160 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -134.506 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: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1756.312564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.312564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.312564 (E_RNA) where: Base-Base interactions energy: -1169.596 where: short stacking energy: -512.968 Base-Backbone interact. energy: -1.081 local terms energy: -585.635153 where: bonds (distance) C4'-P energy: -104.711 bonds (distance) P-C4' energy: -125.374 flat angles C4'-P-C4' energy: -131.027 flat angles P-C4'-P energy: -89.905 tors. eta vs tors. theta energy: -134.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1664.009187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.009187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.009187 (E_RNA) where: Base-Base interactions energy: -1085.277 where: short stacking energy: -478.816 Base-Backbone interact. energy: -1.915 local terms energy: -576.816827 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -120.192 flat angles C4'-P-C4' energy: -133.721 flat angles P-C4'-P energy: -70.706 tors. eta vs tors. theta energy: -139.546 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1317.829733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.829733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.829733 (E_RNA) where: Base-Base interactions energy: -808.971 where: short stacking energy: -385.805 Base-Backbone interact. energy: -2.177 local terms energy: -506.681769 where: bonds (distance) C4'-P energy: -117.478 bonds (distance) P-C4' energy: -102.723 flat angles C4'-P-C4' energy: -118.502 flat angles P-C4'-P energy: -79.747 tors. eta vs tors. theta energy: -88.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -824.011524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.011524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.011524 (E_RNA) where: Base-Base interactions energy: -445.503 where: short stacking energy: -241.222 Base-Backbone interact. energy: 2.639 local terms energy: -381.147376 where: bonds (distance) C4'-P energy: -116.313 bonds (distance) P-C4' energy: -93.266 flat angles C4'-P-C4' energy: -104.547 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -20.533 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -758.436831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.436831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.436831 (E_RNA) where: Base-Base interactions energy: -372.833 where: short stacking energy: -209.330 Base-Backbone interact. energy: 3.517 local terms energy: -389.120447 where: bonds (distance) C4'-P energy: -102.660 bonds (distance) P-C4' energy: -111.449 flat angles C4'-P-C4' energy: -105.089 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -11.743 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: 1, replica: 7 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2389.581193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.581193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.581193 (E_RNA) where: Base-Base interactions energy: -1655.132 where: short stacking energy: -703.195 Base-Backbone interact. energy: -3.597 local terms energy: -730.852114 where: bonds (distance) C4'-P energy: -132.995 bonds (distance) P-C4' energy: -124.618 flat angles C4'-P-C4' energy: -156.741 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -223.726 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: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2310.938938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.938938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.938938 (E_RNA) where: Base-Base interactions energy: -1602.013 where: short stacking energy: -696.177 Base-Backbone interact. energy: -2.407 local terms energy: -706.519259 where: bonds (distance) C4'-P energy: -116.624 bonds (distance) P-C4' energy: -130.394 flat angles C4'-P-C4' energy: -154.935 flat angles P-C4'-P energy: -96.497 tors. eta vs tors. theta energy: -208.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2258.575104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.575104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.575104 (E_RNA) where: Base-Base interactions energy: -1553.908 where: short stacking energy: -675.515 Base-Backbone interact. energy: -2.524 local terms energy: -702.142918 where: bonds (distance) C4'-P energy: -108.786 bonds (distance) P-C4' energy: -126.941 flat angles C4'-P-C4' energy: -147.057 flat angles P-C4'-P energy: -104.931 tors. eta vs tors. theta energy: -214.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2069.912830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.912830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.912830 (E_RNA) where: Base-Base interactions energy: -1421.397 where: short stacking energy: -602.774 Base-Backbone interact. energy: -1.893 local terms energy: -646.623142 where: bonds (distance) C4'-P energy: -115.372 bonds (distance) P-C4' energy: -126.603 flat angles C4'-P-C4' energy: -149.238 flat angles P-C4'-P energy: -85.169 tors. eta vs tors. theta energy: -170.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1780.210741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.210741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.210741 (E_RNA) where: Base-Base interactions energy: -1177.644 where: short stacking energy: -532.588 Base-Backbone interact. energy: -2.522 local terms energy: -600.044876 where: bonds (distance) C4'-P energy: -115.629 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -139.575 flat angles P-C4'-P energy: -77.056 tors. eta vs tors. theta energy: -154.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1865.080479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.080479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.080479 (E_RNA) where: Base-Base interactions energy: -1252.381 where: short stacking energy: -572.273 Base-Backbone interact. energy: -2.052 local terms energy: -610.648343 where: bonds (distance) C4'-P energy: -114.551 bonds (distance) P-C4' energy: -121.428 flat angles C4'-P-C4' energy: -136.277 flat angles P-C4'-P energy: -84.532 tors. eta vs tors. theta energy: -153.861 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: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1673.822349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.822349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.822349 (E_RNA) where: Base-Base interactions energy: -1135.749 where: short stacking energy: -479.526 Base-Backbone interact. energy: -3.805 local terms energy: -534.268528 where: bonds (distance) C4'-P energy: -108.923 bonds (distance) P-C4' energy: -107.888 flat angles C4'-P-C4' energy: -128.830 flat angles P-C4'-P energy: -75.793 tors. eta vs tors. theta energy: -112.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1350.217513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.217513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.217513 (E_RNA) where: Base-Base interactions energy: -857.831 where: short stacking energy: -388.847 Base-Backbone interact. energy: 0.554 local terms energy: -492.941300 where: bonds (distance) C4'-P energy: -113.556 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -123.395 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -76.688 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: 9, replica: 6 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -927.555377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.555377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.555377 (E_RNA) where: Base-Base interactions energy: -505.446 where: short stacking energy: -277.474 Base-Backbone interact. energy: 1.488 local terms energy: -423.596572 where: bonds (distance) C4'-P energy: -109.041 bonds (distance) P-C4' energy: -107.151 flat angles C4'-P-C4' energy: -112.492 flat angles P-C4'-P energy: -77.232 tors. eta vs tors. theta energy: -17.681 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: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -729.856026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.856026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.856026 (E_RNA) where: Base-Base interactions energy: -362.805 where: short stacking energy: -183.439 Base-Backbone interact. energy: 8.741 local terms energy: -375.792161 where: bonds (distance) C4'-P energy: -107.334 bonds (distance) P-C4' energy: -107.723 flat angles C4'-P-C4' energy: -98.829 flat angles P-C4'-P energy: -61.812 tors. eta vs tors. theta energy: -0.093 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: 1, replica: 7 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2379.427495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.427495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.427495 (E_RNA) where: Base-Base interactions energy: -1647.888 where: short stacking energy: -715.655 Base-Backbone interact. energy: -3.482 local terms energy: -728.056822 where: bonds (distance) C4'-P energy: -127.634 bonds (distance) P-C4' energy: -140.156 flat angles C4'-P-C4' energy: -150.701 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -208.402 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: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2303.932336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.932336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.932336 (E_RNA) where: Base-Base interactions energy: -1605.181 where: short stacking energy: -659.155 Base-Backbone interact. energy: -3.275 local terms energy: -695.476661 where: bonds (distance) C4'-P energy: -121.903 bonds (distance) P-C4' energy: -133.536 flat angles C4'-P-C4' energy: -142.479 flat angles P-C4'-P energy: -98.132 tors. eta vs tors. theta energy: -199.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2214.665494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.665494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.665494 (E_RNA) where: Base-Base interactions energy: -1537.699 where: short stacking energy: -664.995 Base-Backbone interact. energy: 1.957 local terms energy: -678.923072 where: bonds (distance) C4'-P energy: -102.047 bonds (distance) P-C4' energy: -122.996 flat angles C4'-P-C4' energy: -138.019 flat angles P-C4'-P energy: -112.381 tors. eta vs tors. theta energy: -203.481 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: 4, replica: 10 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2111.928200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.928200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.928200 (E_RNA) where: Base-Base interactions energy: -1456.671 where: short stacking energy: -629.042 Base-Backbone interact. energy: 5.856 local terms energy: -661.112774 where: bonds (distance) C4'-P energy: -118.662 bonds (distance) P-C4' energy: -121.557 flat angles C4'-P-C4' energy: -147.278 flat angles P-C4'-P energy: -92.622 tors. eta vs tors. theta energy: -180.993 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: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1726.357313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.357313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.357313 (E_RNA) where: Base-Base interactions energy: -1152.842 where: short stacking energy: -504.064 Base-Backbone interact. energy: -1.977 local terms energy: -571.537991 where: bonds (distance) C4'-P energy: -113.762 bonds (distance) P-C4' energy: -110.275 flat angles C4'-P-C4' energy: -127.316 flat angles P-C4'-P energy: -92.080 tors. eta vs tors. theta energy: -128.105 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: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1817.677486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.677486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.677486 (E_RNA) where: Base-Base interactions energy: -1210.614 where: short stacking energy: -496.638 Base-Backbone interact. energy: -1.734 local terms energy: -605.329089 where: bonds (distance) C4'-P energy: -114.632 bonds (distance) P-C4' energy: -127.084 flat angles C4'-P-C4' energy: -139.619 flat angles P-C4'-P energy: -81.304 tors. eta vs tors. theta energy: -142.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1634.371391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.371391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.371391 (E_RNA) where: Base-Base interactions energy: -1073.432 where: short stacking energy: -486.753 Base-Backbone interact. energy: -0.151 local terms energy: -560.788238 where: bonds (distance) C4'-P energy: -134.143 bonds (distance) P-C4' energy: -107.039 flat angles C4'-P-C4' energy: -110.339 flat angles P-C4'-P energy: -83.151 tors. eta vs tors. theta energy: -126.117 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: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1345.644001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.644001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.644001 (E_RNA) where: Base-Base interactions energy: -869.168 where: short stacking energy: -378.020 Base-Backbone interact. energy: -0.285 local terms energy: -476.191138 where: bonds (distance) C4'-P energy: -105.745 bonds (distance) P-C4' energy: -113.583 flat angles C4'-P-C4' energy: -111.125 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: -82.075 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: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -913.121584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.121584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.121584 (E_RNA) where: Base-Base interactions energy: -502.199 where: short stacking energy: -260.293 Base-Backbone interact. energy: 2.934 local terms energy: -413.856266 where: bonds (distance) C4'-P energy: -96.396 bonds (distance) P-C4' energy: -113.854 flat angles C4'-P-C4' energy: -111.228 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: -28.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -683.063543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.063543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.063543 (E_RNA) where: Base-Base interactions energy: -338.976 where: short stacking energy: -165.998 Base-Backbone interact. energy: 4.220 local terms energy: -348.307871 where: bonds (distance) C4'-P energy: -99.245 bonds (distance) P-C4' energy: -128.984 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -57.864 tors. eta vs tors. theta energy: 17.439 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: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2384.675791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.675791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.675791 (E_RNA) where: Base-Base interactions energy: -1648.549 where: short stacking energy: -684.241 Base-Backbone interact. energy: -5.138 local terms energy: -730.987953 where: bonds (distance) C4'-P energy: -139.348 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -152.729 flat angles P-C4'-P energy: -105.006 tors. eta vs tors. theta energy: -212.543 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: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2350.259442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.259442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.259442 (E_RNA) where: Base-Base interactions energy: -1620.104 where: short stacking energy: -683.200 Base-Backbone interact. energy: -1.564 local terms energy: -728.591269 where: bonds (distance) C4'-P energy: -124.345 bonds (distance) P-C4' energy: -143.669 flat angles C4'-P-C4' energy: -151.231 flat angles P-C4'-P energy: -89.226 tors. eta vs tors. theta energy: -220.120 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: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2171.006848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.006848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.006848 (E_RNA) where: Base-Base interactions energy: -1501.467 where: short stacking energy: -629.793 Base-Backbone interact. energy: -2.058 local terms energy: -667.482272 where: bonds (distance) C4'-P energy: -128.385 bonds (distance) P-C4' energy: -139.390 flat angles C4'-P-C4' energy: -143.914 flat angles P-C4'-P energy: -77.729 tors. eta vs tors. theta energy: -178.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2069.755014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.755014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.755014 (E_RNA) where: Base-Base interactions energy: -1401.164 where: short stacking energy: -591.129 Base-Backbone interact. energy: -1.105 local terms energy: -667.485740 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -123.687 flat angles C4'-P-C4' energy: -144.430 flat angles P-C4'-P energy: -83.282 tors. eta vs tors. theta energy: -191.602 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: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1864.337632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.337632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.337632 (E_RNA) where: Base-Base interactions energy: -1245.110 where: short stacking energy: -549.411 Base-Backbone interact. energy: -3.617 local terms energy: -615.610802 where: bonds (distance) C4'-P energy: -120.812 bonds (distance) P-C4' energy: -132.822 flat angles C4'-P-C4' energy: -117.719 flat angles P-C4'-P energy: -93.550 tors. eta vs tors. theta energy: -150.708 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: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1723.058765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.058765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.058765 (E_RNA) where: Base-Base interactions energy: -1155.317 where: short stacking energy: -520.948 Base-Backbone interact. energy: -0.018 local terms energy: -567.723818 where: bonds (distance) C4'-P energy: -109.539 bonds (distance) P-C4' energy: -125.532 flat angles C4'-P-C4' energy: -110.556 flat angles P-C4'-P energy: -83.022 tors. eta vs tors. theta energy: -139.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1563.927959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.927959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.927959 (E_RNA) where: Base-Base interactions energy: -1017.410 where: short stacking energy: -451.199 Base-Backbone interact. energy: 1.212 local terms energy: -547.730860 where: bonds (distance) C4'-P energy: -111.696 bonds (distance) P-C4' energy: -121.321 flat angles C4'-P-C4' energy: -124.218 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: -114.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1301.939526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.939526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.939526 (E_RNA) where: Base-Base interactions energy: -865.385 where: short stacking energy: -382.367 Base-Backbone interact. energy: 7.985 local terms energy: -444.539571 where: bonds (distance) C4'-P energy: -113.230 bonds (distance) P-C4' energy: -110.464 flat angles C4'-P-C4' energy: -111.311 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -66.029 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: 9, replica: 6 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -931.899626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.899626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.899626 (E_RNA) where: Base-Base interactions energy: -515.581 where: short stacking energy: -251.543 Base-Backbone interact. energy: 8.110 local terms energy: -424.428357 where: bonds (distance) C4'-P energy: -100.569 bonds (distance) P-C4' energy: -128.042 flat angles C4'-P-C4' energy: -94.024 flat angles P-C4'-P energy: -84.740 tors. eta vs tors. theta energy: -17.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -660.723198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.723198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.723198 (E_RNA) where: Base-Base interactions energy: -316.005 where: short stacking energy: -199.831 Base-Backbone interact. energy: -2.432 local terms energy: -342.286659 where: bonds (distance) C4'-P energy: -97.543 bonds (distance) P-C4' energy: -91.630 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -54.720 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2367.018904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.018904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.018904 (E_RNA) where: Base-Base interactions energy: -1645.269 where: short stacking energy: -692.323 Base-Backbone interact. energy: -5.968 local terms energy: -715.782475 where: bonds (distance) C4'-P energy: -136.850 bonds (distance) P-C4' energy: -120.070 flat angles C4'-P-C4' energy: -160.005 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -201.278 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: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2345.424089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.424089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.424089 (E_RNA) where: Base-Base interactions energy: -1616.260 where: short stacking energy: -698.377 Base-Backbone interact. energy: 0.174 local terms energy: -729.338697 where: bonds (distance) C4'-P energy: -130.600 bonds (distance) P-C4' energy: -134.217 flat angles C4'-P-C4' energy: -154.810 flat angles P-C4'-P energy: -98.460 tors. eta vs tors. theta energy: -211.252 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: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2126.482570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.482570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.482570 (E_RNA) where: Base-Base interactions energy: -1462.220 where: short stacking energy: -626.675 Base-Backbone interact. energy: -4.395 local terms energy: -659.867034 where: bonds (distance) C4'-P energy: -109.268 bonds (distance) P-C4' energy: -128.872 flat angles C4'-P-C4' energy: -142.000 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -187.948 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: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2090.409958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.409958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.409958 (E_RNA) where: Base-Base interactions energy: -1430.224 where: short stacking energy: -590.782 Base-Backbone interact. energy: -1.609 local terms energy: -658.576496 where: bonds (distance) C4'-P energy: -127.087 bonds (distance) P-C4' energy: -121.190 flat angles C4'-P-C4' energy: -135.505 flat angles P-C4'-P energy: -94.596 tors. eta vs tors. theta energy: -180.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1930.535707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.535707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.535707 (E_RNA) where: Base-Base interactions energy: -1298.289 where: short stacking energy: -591.215 Base-Backbone interact. energy: -3.743 local terms energy: -628.504006 where: bonds (distance) C4'-P energy: -107.999 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -149.089 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -166.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1705.843923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.843923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.843923 (E_RNA) where: Base-Base interactions energy: -1175.722 where: short stacking energy: -496.141 Base-Backbone interact. energy: -3.227 local terms energy: -526.894374 where: bonds (distance) C4'-P energy: -110.485 bonds (distance) P-C4' energy: -102.206 flat angles C4'-P-C4' energy: -125.269 flat angles P-C4'-P energy: -51.197 tors. eta vs tors. theta energy: -137.737 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: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1602.543259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.543259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.543259 (E_RNA) where: Base-Base interactions energy: -1039.499 where: short stacking energy: -465.954 Base-Backbone interact. energy: 5.484 local terms energy: -568.528216 where: bonds (distance) C4'-P energy: -109.028 bonds (distance) P-C4' energy: -107.807 flat angles C4'-P-C4' energy: -132.039 flat angles P-C4'-P energy: -90.169 tors. eta vs tors. theta energy: -129.486 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: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1269.127419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.127419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.127419 (E_RNA) where: Base-Base interactions energy: -788.240 where: short stacking energy: -380.284 Base-Backbone interact. energy: -2.382 local terms energy: -478.504832 where: bonds (distance) C4'-P energy: -94.871 bonds (distance) P-C4' energy: -122.937 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -81.200 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: 9, replica: 6 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -850.230197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.230197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.230197 (E_RNA) where: Base-Base interactions energy: -457.242 where: short stacking energy: -244.298 Base-Backbone interact. energy: -0.262 local terms energy: -392.726084 where: bonds (distance) C4'-P energy: -113.946 bonds (distance) P-C4' energy: -101.567 flat angles C4'-P-C4' energy: -114.621 flat angles P-C4'-P energy: -53.000 tors. eta vs tors. theta energy: -9.591 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: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -638.751268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.751268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.751268 (E_RNA) where: Base-Base interactions energy: -283.312 where: short stacking energy: -193.287 Base-Backbone interact. energy: 1.270 local terms energy: -356.709469 where: bonds (distance) C4'-P energy: -99.226 bonds (distance) P-C4' energy: -108.121 flat angles C4'-P-C4' energy: -87.292 flat angles P-C4'-P energy: -63.485 tors. eta vs tors. theta energy: 1.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2367.576952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.576952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.576952 (E_RNA) where: Base-Base interactions energy: -1644.682 where: short stacking energy: -684.864 Base-Backbone interact. energy: -2.187 local terms energy: -720.708308 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -133.131 flat angles C4'-P-C4' energy: -157.547 flat angles P-C4'-P energy: -88.545 tors. eta vs tors. theta energy: -206.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2324.785866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.785866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.785866 (E_RNA) where: Base-Base interactions energy: -1613.652 where: short stacking energy: -670.281 Base-Backbone interact. energy: -5.006 local terms energy: -706.128493 where: bonds (distance) C4'-P energy: -143.691 bonds (distance) P-C4' energy: -117.032 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -98.599 tors. eta vs tors. theta energy: -191.742 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: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2197.998457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.998457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.998457 (E_RNA) where: Base-Base interactions energy: -1529.345 where: short stacking energy: -660.515 Base-Backbone interact. energy: -4.044 local terms energy: -664.608542 where: bonds (distance) C4'-P energy: -111.840 bonds (distance) P-C4' energy: -122.507 flat angles C4'-P-C4' energy: -135.603 flat angles P-C4'-P energy: -95.339 tors. eta vs tors. theta energy: -199.319 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: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2076.830783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.830783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.830783 (E_RNA) where: Base-Base interactions energy: -1410.184 where: short stacking energy: -629.134 Base-Backbone interact. energy: -2.765 local terms energy: -663.881827 where: bonds (distance) C4'-P energy: -132.916 bonds (distance) P-C4' energy: -112.891 flat angles C4'-P-C4' energy: -152.109 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -183.321 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: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1944.362810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.362810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.362810 (E_RNA) where: Base-Base interactions energy: -1319.401 where: short stacking energy: -592.229 Base-Backbone interact. energy: 0.034 local terms energy: -624.995039 where: bonds (distance) C4'-P energy: -107.226 bonds (distance) P-C4' energy: -120.485 flat angles C4'-P-C4' energy: -137.407 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -182.078 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: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1665.060597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.060597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.060597 (E_RNA) where: Base-Base interactions energy: -1091.420 where: short stacking energy: -468.008 Base-Backbone interact. energy: -2.229 local terms energy: -571.411602 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -113.149 flat angles C4'-P-C4' energy: -128.788 flat angles P-C4'-P energy: -89.463 tors. eta vs tors. theta energy: -120.002 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: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1615.377732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.377732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.377732 (E_RNA) where: Base-Base interactions energy: -1055.563 where: short stacking energy: -472.625 Base-Backbone interact. energy: -4.238 local terms energy: -555.577216 where: bonds (distance) C4'-P energy: -102.083 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -129.188 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: -129.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1345.102372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.102372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.102372 (E_RNA) where: Base-Base interactions energy: -832.380 where: short stacking energy: -376.838 Base-Backbone interact. energy: -0.781 local terms energy: -511.942161 where: bonds (distance) C4'-P energy: -110.973 bonds (distance) P-C4' energy: -93.574 flat angles C4'-P-C4' energy: -131.105 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -90.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -840.704673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.704673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.704673 (E_RNA) where: Base-Base interactions energy: -437.443 where: short stacking energy: -246.997 Base-Backbone interact. energy: -0.878 local terms energy: -402.382975 where: bonds (distance) C4'-P energy: -120.874 bonds (distance) P-C4' energy: -111.471 flat angles C4'-P-C4' energy: -109.163 flat angles P-C4'-P energy: -39.437 tors. eta vs tors. theta energy: -21.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -664.565604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.565604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.565604 (E_RNA) where: Base-Base interactions energy: -316.086 where: short stacking energy: -193.161 Base-Backbone interact. energy: 4.083 local terms energy: -352.562752 where: bonds (distance) C4'-P energy: -122.016 bonds (distance) P-C4' energy: -115.002 flat angles C4'-P-C4' energy: -73.627 flat angles P-C4'-P energy: -46.123 tors. eta vs tors. theta energy: 4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2369.202111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.202111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.202111 (E_RNA) where: Base-Base interactions energy: -1629.273 where: short stacking energy: -710.518 Base-Backbone interact. energy: 2.174 local terms energy: -742.103322 where: bonds (distance) C4'-P energy: -125.996 bonds (distance) P-C4' energy: -143.604 flat angles C4'-P-C4' energy: -162.701 flat angles P-C4'-P energy: -99.585 tors. eta vs tors. theta energy: -210.217 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: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2321.215630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.215630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.215630 (E_RNA) where: Base-Base interactions energy: -1612.186 where: short stacking energy: -662.399 Base-Backbone interact. energy: -0.907 local terms energy: -708.122496 where: bonds (distance) C4'-P energy: -126.342 bonds (distance) P-C4' energy: -137.549 flat angles C4'-P-C4' energy: -151.778 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -190.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2222.277982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.277982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.277982 (E_RNA) where: Base-Base interactions energy: -1540.898 where: short stacking energy: -675.292 Base-Backbone interact. energy: -1.504 local terms energy: -679.875655 where: bonds (distance) C4'-P energy: -111.643 bonds (distance) P-C4' energy: -125.337 flat angles C4'-P-C4' energy: -132.808 flat angles P-C4'-P energy: -100.808 tors. eta vs tors. theta energy: -209.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2084.275990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.275990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.275990 (E_RNA) where: Base-Base interactions energy: -1424.092 where: short stacking energy: -585.060 Base-Backbone interact. energy: -3.794 local terms energy: -656.389548 where: bonds (distance) C4'-P energy: -121.140 bonds (distance) P-C4' energy: -124.049 flat angles C4'-P-C4' energy: -143.464 flat angles P-C4'-P energy: -87.488 tors. eta vs tors. theta energy: -180.249 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: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1937.758334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.758334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.758334 (E_RNA) where: Base-Base interactions energy: -1328.567 where: short stacking energy: -601.873 Base-Backbone interact. energy: 1.465 local terms energy: -610.656590 where: bonds (distance) C4'-P energy: -115.020 bonds (distance) P-C4' energy: -111.882 flat angles C4'-P-C4' energy: -126.857 flat angles P-C4'-P energy: -79.146 tors. eta vs tors. theta energy: -177.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1713.992086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.992086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.992086 (E_RNA) where: Base-Base interactions energy: -1143.383 where: short stacking energy: -515.460 Base-Backbone interact. energy: -2.351 local terms energy: -568.258666 where: bonds (distance) C4'-P energy: -111.660 bonds (distance) P-C4' energy: -113.785 flat angles C4'-P-C4' energy: -124.276 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -132.699 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: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1605.876861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.876861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.876861 (E_RNA) where: Base-Base interactions energy: -1042.478 where: short stacking energy: -472.679 Base-Backbone interact. energy: -3.140 local terms energy: -560.259766 where: bonds (distance) C4'-P energy: -95.903 bonds (distance) P-C4' energy: -117.808 flat angles C4'-P-C4' energy: -131.158 flat angles P-C4'-P energy: -85.595 tors. eta vs tors. theta energy: -129.796 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: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1419.333499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.333499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.333499 (E_RNA) where: Base-Base interactions energy: -909.027 where: short stacking energy: -400.839 Base-Backbone interact. energy: -3.411 local terms energy: -506.895731 where: bonds (distance) C4'-P energy: -111.875 bonds (distance) P-C4' energy: -115.705 flat angles C4'-P-C4' energy: -129.520 flat angles P-C4'-P energy: -64.543 tors. eta vs tors. theta energy: -85.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -893.245718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.245718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.245718 (E_RNA) where: Base-Base interactions energy: -448.273 where: short stacking energy: -236.975 Base-Backbone interact. energy: -1.384 local terms energy: -443.588322 where: bonds (distance) C4'-P energy: -111.779 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -113.615 flat angles P-C4'-P energy: -66.934 tors. eta vs tors. theta energy: -28.483 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -653.827936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.827936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.827936 (E_RNA) where: Base-Base interactions energy: -345.386 where: short stacking energy: -221.149 Base-Backbone interact. energy: 3.559 local terms energy: -312.000308 where: bonds (distance) C4'-P energy: -101.758 bonds (distance) P-C4' energy: -86.391 flat angles C4'-P-C4' energy: -77.471 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: -1.668 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: 1, replica: 1 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2370.733184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.733184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.733184 (E_RNA) where: Base-Base interactions energy: -1640.415 where: short stacking energy: -674.697 Base-Backbone interact. energy: -2.925 local terms energy: -727.393294 where: bonds (distance) C4'-P energy: -135.368 bonds (distance) P-C4' energy: -137.625 flat angles C4'-P-C4' energy: -151.976 flat angles P-C4'-P energy: -104.673 tors. eta vs tors. theta energy: -197.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2279.941919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.941919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.941919 (E_RNA) where: Base-Base interactions energy: -1575.434 where: short stacking energy: -656.140 Base-Backbone interact. energy: -5.090 local terms energy: -699.417674 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -146.686 flat angles P-C4'-P energy: -96.558 tors. eta vs tors. theta energy: -197.419 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: 3, replica: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2177.661326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.661326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.661326 (E_RNA) where: Base-Base interactions energy: -1503.321 where: short stacking energy: -633.670 Base-Backbone interact. energy: -1.477 local terms energy: -672.863670 where: bonds (distance) C4'-P energy: -132.380 bonds (distance) P-C4' energy: -129.080 flat angles C4'-P-C4' energy: -131.349 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -190.105 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: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2029.635269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.635269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.635269 (E_RNA) where: Base-Base interactions energy: -1376.299 where: short stacking energy: -584.749 Base-Backbone interact. energy: 1.495 local terms energy: -654.831333 where: bonds (distance) C4'-P energy: -133.352 bonds (distance) P-C4' energy: -124.320 flat angles C4'-P-C4' energy: -142.085 flat angles P-C4'-P energy: -79.187 tors. eta vs tors. theta energy: -175.887 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: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1932.022853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.022853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.022853 (E_RNA) where: Base-Base interactions energy: -1308.632 where: short stacking energy: -557.778 Base-Backbone interact. energy: -1.352 local terms energy: -622.038853 where: bonds (distance) C4'-P energy: -111.687 bonds (distance) P-C4' energy: -105.085 flat angles C4'-P-C4' energy: -147.887 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -165.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1701.966961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.966961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.966961 (E_RNA) where: Base-Base interactions energy: -1138.892 where: short stacking energy: -500.542 Base-Backbone interact. energy: -2.380 local terms energy: -560.694633 where: bonds (distance) C4'-P energy: -121.790 bonds (distance) P-C4' energy: -122.817 flat angles C4'-P-C4' energy: -120.209 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: -124.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1583.339610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.339610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.339610 (E_RNA) where: Base-Base interactions energy: -1065.599 where: short stacking energy: -476.782 Base-Backbone interact. energy: 1.424 local terms energy: -519.164372 where: bonds (distance) C4'-P energy: -90.451 bonds (distance) P-C4' energy: -131.384 flat angles C4'-P-C4' energy: -112.659 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -121.524 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1325.067636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.067636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.067636 (E_RNA) where: Base-Base interactions energy: -824.155 where: short stacking energy: -368.773 Base-Backbone interact. energy: 0.544 local terms energy: -501.456891 where: bonds (distance) C4'-P energy: -125.192 bonds (distance) P-C4' energy: -102.353 flat angles C4'-P-C4' energy: -110.550 flat angles P-C4'-P energy: -84.404 tors. eta vs tors. theta energy: -78.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -879.159457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.159457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.159457 (E_RNA) where: Base-Base interactions energy: -464.196 where: short stacking energy: -261.625 Base-Backbone interact. energy: -1.315 local terms energy: -413.648302 where: bonds (distance) C4'-P energy: -119.230 bonds (distance) P-C4' energy: -104.086 flat angles C4'-P-C4' energy: -96.901 flat angles P-C4'-P energy: -61.555 tors. eta vs tors. theta energy: -31.876 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: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -627.169217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.169217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.169217 (E_RNA) where: Base-Base interactions energy: -275.529 where: short stacking energy: -164.538 Base-Backbone interact. energy: 1.591 local terms energy: -353.231048 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -122.005 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -52.749 tors. eta vs tors. theta energy: 10.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2403.527344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.527344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.527344 (E_RNA) where: Base-Base interactions energy: -1660.271 where: short stacking energy: -717.760 Base-Backbone interact. energy: -1.691 local terms energy: -741.564668 where: bonds (distance) C4'-P energy: -133.966 bonds (distance) P-C4' energy: -133.979 flat angles C4'-P-C4' energy: -160.704 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -216.656 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: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2297.882301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.882301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.882301 (E_RNA) where: Base-Base interactions energy: -1573.440 where: short stacking energy: -655.467 Base-Backbone interact. energy: -3.009 local terms energy: -721.432315 where: bonds (distance) C4'-P energy: -143.214 bonds (distance) P-C4' energy: -132.291 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -204.980 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: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2166.153285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.153285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.153285 (E_RNA) where: Base-Base interactions energy: -1506.196 where: short stacking energy: -655.977 Base-Backbone interact. energy: -1.270 local terms energy: -658.687889 where: bonds (distance) C4'-P energy: -115.170 bonds (distance) P-C4' energy: -116.413 flat angles C4'-P-C4' energy: -137.094 flat angles P-C4'-P energy: -100.703 tors. eta vs tors. theta energy: -189.308 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: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2068.849371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.849371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.849371 (E_RNA) where: Base-Base interactions energy: -1422.578 where: short stacking energy: -603.503 Base-Backbone interact. energy: -4.685 local terms energy: -641.586362 where: bonds (distance) C4'-P energy: -117.553 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -149.368 flat angles P-C4'-P energy: -94.533 tors. eta vs tors. theta energy: -171.042 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: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1924.582318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.582318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.582318 (E_RNA) where: Base-Base interactions energy: -1263.996 where: short stacking energy: -552.646 Base-Backbone interact. energy: -1.354 local terms energy: -659.231835 where: bonds (distance) C4'-P energy: -132.145 bonds (distance) P-C4' energy: -143.986 flat angles C4'-P-C4' energy: -128.751 flat angles P-C4'-P energy: -89.128 tors. eta vs tors. theta energy: -165.222 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: 381 Temperature: 1.150000 Total energy: -1676.867049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.867049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.867049 (E_RNA) where: Base-Base interactions energy: -1087.182 where: short stacking energy: -479.314 Base-Backbone interact. energy: -3.850 local terms energy: -585.834512 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -120.699 flat angles C4'-P-C4' energy: -127.528 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -118.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1618.738350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.738350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.738350 (E_RNA) where: Base-Base interactions energy: -1103.650 where: short stacking energy: -447.776 Base-Backbone interact. energy: -1.793 local terms energy: -513.295184 where: bonds (distance) C4'-P energy: -89.838 bonds (distance) P-C4' energy: -110.157 flat angles C4'-P-C4' energy: -120.276 flat angles P-C4'-P energy: -84.508 tors. eta vs tors. theta energy: -108.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1361.537317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.537317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.537317 (E_RNA) where: Base-Base interactions energy: -847.742 where: short stacking energy: -385.709 Base-Backbone interact. energy: -2.428 local terms energy: -511.366957 where: bonds (distance) C4'-P energy: -113.529 bonds (distance) P-C4' energy: -125.302 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -63.447 tors. eta vs tors. theta energy: -99.671 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: 6 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -907.553974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.553974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.553974 (E_RNA) where: Base-Base interactions energy: -470.646 where: short stacking energy: -256.688 Base-Backbone interact. energy: 8.215 local terms energy: -445.122940 where: bonds (distance) C4'-P energy: -123.566 bonds (distance) P-C4' energy: -121.312 flat angles C4'-P-C4' energy: -100.543 flat angles P-C4'-P energy: -64.162 tors. eta vs tors. theta energy: -35.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -651.711413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.711413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.711413 (E_RNA) where: Base-Base interactions energy: -295.461 where: short stacking energy: -181.693 Base-Backbone interact. energy: 1.211 local terms energy: -357.461009 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -123.481 flat angles C4'-P-C4' energy: -74.366 flat angles P-C4'-P energy: -61.167 tors. eta vs tors. theta energy: 1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2418.630144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.630144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.630144 (E_RNA) where: Base-Base interactions energy: -1682.035 where: short stacking energy: -697.442 Base-Backbone interact. energy: -3.864 local terms energy: -732.730641 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -147.302 flat angles C4'-P-C4' energy: -152.528 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -219.209 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: 2, replica: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2312.477108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.477108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.477108 (E_RNA) where: Base-Base interactions energy: -1612.265 where: short stacking energy: -676.420 Base-Backbone interact. energy: -4.015 local terms energy: -696.196286 where: bonds (distance) C4'-P energy: -131.631 bonds (distance) P-C4' energy: -117.192 flat angles C4'-P-C4' energy: -148.762 flat angles P-C4'-P energy: -103.972 tors. eta vs tors. theta energy: -194.639 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: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2141.344600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.344600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.344600 (E_RNA) where: Base-Base interactions energy: -1456.637 where: short stacking energy: -617.924 Base-Backbone interact. energy: -2.058 local terms energy: -682.649716 where: bonds (distance) C4'-P energy: -121.484 bonds (distance) P-C4' energy: -137.324 flat angles C4'-P-C4' energy: -135.619 flat angles P-C4'-P energy: -104.441 tors. eta vs tors. theta energy: -183.782 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: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2104.539285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.539285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.539285 (E_RNA) where: Base-Base interactions energy: -1428.909 where: short stacking energy: -606.177 Base-Backbone interact. energy: -1.415 local terms energy: -674.215825 where: bonds (distance) C4'-P energy: -132.366 bonds (distance) P-C4' energy: -131.173 flat angles C4'-P-C4' energy: -139.017 flat angles P-C4'-P energy: -88.623 tors. eta vs tors. theta energy: -183.037 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: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1921.864613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.864613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.864613 (E_RNA) where: Base-Base interactions energy: -1281.098 where: short stacking energy: -577.416 Base-Backbone interact. energy: -1.151 local terms energy: -639.615851 where: bonds (distance) C4'-P energy: -114.736 bonds (distance) P-C4' energy: -128.116 flat angles C4'-P-C4' energy: -135.190 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -168.219 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: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1730.516989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.516989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.516989 (E_RNA) where: Base-Base interactions energy: -1177.626 where: short stacking energy: -502.812 Base-Backbone interact. energy: -4.489 local terms energy: -548.402473 where: bonds (distance) C4'-P energy: -105.056 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -123.218 flat angles P-C4'-P energy: -73.132 tors. eta vs tors. theta energy: -134.326 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: 7, replica: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1580.170782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.170782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.170782 (E_RNA) where: Base-Base interactions energy: -1031.060 where: short stacking energy: -474.947 Base-Backbone interact. energy: -1.296 local terms energy: -547.815289 where: bonds (distance) C4'-P energy: -104.238 bonds (distance) P-C4' energy: -110.653 flat angles C4'-P-C4' energy: -116.941 flat angles P-C4'-P energy: -92.894 tors. eta vs tors. theta energy: -123.090 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: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1379.726525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.726525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.726525 (E_RNA) where: Base-Base interactions energy: -891.556 where: short stacking energy: -396.518 Base-Backbone interact. energy: 1.607 local terms energy: -489.777596 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -119.456 flat angles C4'-P-C4' energy: -107.421 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -95.734 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: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -857.377344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.377344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.377344 (E_RNA) where: Base-Base interactions energy: -457.905 where: short stacking energy: -253.248 Base-Backbone interact. energy: -2.242 local terms energy: -397.230542 where: bonds (distance) C4'-P energy: -97.752 bonds (distance) P-C4' energy: -108.746 flat angles C4'-P-C4' energy: -97.857 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -24.955 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: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -612.973954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.973954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.973954 (E_RNA) where: Base-Base interactions energy: -286.933 where: short stacking energy: -185.066 Base-Backbone interact. energy: 7.369 local terms energy: -333.409599 where: bonds (distance) C4'-P energy: -99.455 bonds (distance) P-C4' energy: -117.959 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -50.804 tors. eta vs tors. theta energy: 22.506 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: 383 Temperature: 0.900000 Total energy: -2396.271984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.271984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.271984 (E_RNA) where: Base-Base interactions energy: -1654.813 where: short stacking energy: -703.774 Base-Backbone interact. energy: 0.152 local terms energy: -741.611168 where: bonds (distance) C4'-P energy: -125.883 bonds (distance) P-C4' energy: -137.235 flat angles C4'-P-C4' energy: -159.682 flat angles P-C4'-P energy: -103.525 tors. eta vs tors. theta energy: -215.287 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: 383 Temperature: 0.950000 Total energy: -2316.450092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.450092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.450092 (E_RNA) where: Base-Base interactions energy: -1585.418 where: short stacking energy: -668.365 Base-Backbone interact. energy: -6.215 local terms energy: -724.817322 where: bonds (distance) C4'-P energy: -135.477 bonds (distance) P-C4' energy: -127.803 flat angles C4'-P-C4' energy: -162.591 flat angles P-C4'-P energy: -95.569 tors. eta vs tors. theta energy: -203.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2153.888099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.888099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.888099 (E_RNA) where: Base-Base interactions energy: -1471.309 where: short stacking energy: -620.041 Base-Backbone interact. energy: 1.718 local terms energy: -684.296867 where: bonds (distance) C4'-P energy: -133.424 bonds (distance) P-C4' energy: -127.665 flat angles C4'-P-C4' energy: -148.815 flat angles P-C4'-P energy: -97.623 tors. eta vs tors. theta energy: -176.770 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: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2127.213059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.213059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.213059 (E_RNA) where: Base-Base interactions energy: -1462.539 where: short stacking energy: -631.565 Base-Backbone interact. energy: -0.023 local terms energy: -664.651235 where: bonds (distance) C4'-P energy: -116.847 bonds (distance) P-C4' energy: -126.180 flat angles C4'-P-C4' energy: -139.673 flat angles P-C4'-P energy: -97.252 tors. eta vs tors. theta energy: -184.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1910.684521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.684521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.684521 (E_RNA) where: Base-Base interactions energy: -1273.010 where: short stacking energy: -568.693 Base-Backbone interact. energy: 0.166 local terms energy: -637.840415 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -117.704 flat angles C4'-P-C4' energy: -144.962 flat angles P-C4'-P energy: -99.242 tors. eta vs tors. theta energy: -160.497 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: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1661.175559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.175559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.175559 (E_RNA) where: Base-Base interactions energy: -1122.109 where: short stacking energy: -466.742 Base-Backbone interact. energy: -1.685 local terms energy: -537.380965 where: bonds (distance) C4'-P energy: -105.873 bonds (distance) P-C4' energy: -114.182 flat angles C4'-P-C4' energy: -123.240 flat angles P-C4'-P energy: -83.227 tors. eta vs tors. theta energy: -110.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1678.403849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.403849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.403849 (E_RNA) where: Base-Base interactions energy: -1150.546 where: short stacking energy: -503.614 Base-Backbone interact. energy: 1.692 local terms energy: -529.549899 where: bonds (distance) C4'-P energy: -115.736 bonds (distance) P-C4' energy: -113.960 flat angles C4'-P-C4' energy: -116.833 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -112.641 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: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1349.022758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.022758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.022758 (E_RNA) where: Base-Base interactions energy: -881.369 where: short stacking energy: -416.214 Base-Backbone interact. energy: 3.622 local terms energy: -471.276204 where: bonds (distance) C4'-P energy: -96.998 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -77.160 tors. eta vs tors. theta energy: -91.978 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: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -934.676957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.676957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.676957 (E_RNA) where: Base-Base interactions energy: -529.498 where: short stacking energy: -274.502 Base-Backbone interact. energy: 2.753 local terms energy: -407.932437 where: bonds (distance) C4'-P energy: -125.906 bonds (distance) P-C4' energy: -108.277 flat angles C4'-P-C4' energy: -108.478 flat angles P-C4'-P energy: -55.761 tors. eta vs tors. theta energy: -9.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -604.130198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.130198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.130198 (E_RNA) where: Base-Base interactions energy: -256.723 where: short stacking energy: -173.469 Base-Backbone interact. energy: 5.603 local terms energy: -353.009935 where: bonds (distance) C4'-P energy: -113.841 bonds (distance) P-C4' energy: -111.310 flat angles C4'-P-C4' energy: -101.343 flat angles P-C4'-P energy: -34.770 tors. eta vs tors. theta energy: 8.254 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: 1, replica: 1 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2398.241467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.241467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.241467 (E_RNA) where: Base-Base interactions energy: -1669.698 where: short stacking energy: -713.772 Base-Backbone interact. energy: -1.546 local terms energy: -726.997777 where: bonds (distance) C4'-P energy: -141.176 bonds (distance) P-C4' energy: -138.242 flat angles C4'-P-C4' energy: -156.829 flat angles P-C4'-P energy: -81.368 tors. eta vs tors. theta energy: -209.383 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: 384 Temperature: 0.950000 Total energy: -2336.629799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.629799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.629799 (E_RNA) where: Base-Base interactions energy: -1606.957 where: short stacking energy: -672.017 Base-Backbone interact. energy: -3.808 local terms energy: -725.865125 where: bonds (distance) C4'-P energy: -125.641 bonds (distance) P-C4' energy: -140.995 flat angles C4'-P-C4' energy: -148.810 flat angles P-C4'-P energy: -102.846 tors. eta vs tors. theta energy: -207.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2187.273377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.273377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.273377 (E_RNA) where: Base-Base interactions energy: -1503.540 where: short stacking energy: -643.857 Base-Backbone interact. energy: -1.676 local terms energy: -682.057342 where: bonds (distance) C4'-P energy: -122.564 bonds (distance) P-C4' energy: -120.720 flat angles C4'-P-C4' energy: -157.086 flat angles P-C4'-P energy: -91.116 tors. eta vs tors. theta energy: -190.571 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: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2080.900853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.900853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.900853 (E_RNA) where: Base-Base interactions energy: -1424.569 where: short stacking energy: -578.525 Base-Backbone interact. energy: -3.432 local terms energy: -652.899681 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -148.415 flat angles P-C4'-P energy: -92.990 tors. eta vs tors. theta energy: -181.330 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: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1962.367252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.367252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.367252 (E_RNA) where: Base-Base interactions energy: -1301.150 where: short stacking energy: -589.668 Base-Backbone interact. energy: -2.077 local terms energy: -659.140096 where: bonds (distance) C4'-P energy: -120.048 bonds (distance) P-C4' energy: -112.982 flat angles C4'-P-C4' energy: -145.028 flat angles P-C4'-P energy: -97.473 tors. eta vs tors. theta energy: -183.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1699.778145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.778145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.778145 (E_RNA) where: Base-Base interactions energy: -1118.202 where: short stacking energy: -465.116 Base-Backbone interact. energy: 0.105 local terms energy: -581.681093 where: bonds (distance) C4'-P energy: -120.257 bonds (distance) P-C4' energy: -132.342 flat angles C4'-P-C4' energy: -123.800 flat angles P-C4'-P energy: -76.423 tors. eta vs tors. theta energy: -128.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1635.957274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.957274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.957274 (E_RNA) where: Base-Base interactions energy: -1074.319 where: short stacking energy: -474.838 Base-Backbone interact. energy: -4.497 local terms energy: -557.140438 where: bonds (distance) C4'-P energy: -111.278 bonds (distance) P-C4' energy: -115.349 flat angles C4'-P-C4' energy: -128.734 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -125.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1319.645713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.645713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.645713 (E_RNA) where: Base-Base interactions energy: -850.263 where: short stacking energy: -376.127 Base-Backbone interact. energy: -1.000 local terms energy: -468.382270 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -111.502 flat angles C4'-P-C4' energy: -125.904 flat angles P-C4'-P energy: -53.378 tors. eta vs tors. theta energy: -74.828 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: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -992.671728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.671728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.671728 (E_RNA) where: Base-Base interactions energy: -581.371 where: short stacking energy: -265.777 Base-Backbone interact. energy: -3.763 local terms energy: -407.537721 where: bonds (distance) C4'-P energy: -103.081 bonds (distance) P-C4' energy: -107.671 flat angles C4'-P-C4' energy: -99.069 flat angles P-C4'-P energy: -55.431 tors. eta vs tors. theta energy: -42.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -637.479294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.479294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.479294 (E_RNA) where: Base-Base interactions energy: -281.592 where: short stacking energy: -178.448 Base-Backbone interact. energy: 0.940 local terms energy: -356.827323 where: bonds (distance) C4'-P energy: -112.898 bonds (distance) P-C4' energy: -98.639 flat angles C4'-P-C4' energy: -84.260 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: 4.665 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: 1, replica: 1 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2391.290082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.290082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.290082 (E_RNA) where: Base-Base interactions energy: -1662.854 where: short stacking energy: -713.278 Base-Backbone interact. energy: -1.727 local terms energy: -726.709921 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -131.100 flat angles C4'-P-C4' energy: -153.495 flat angles P-C4'-P energy: -103.905 tors. eta vs tors. theta energy: -207.534 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: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2335.868489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.868489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.868489 (E_RNA) where: Base-Base interactions energy: -1643.636 where: short stacking energy: -690.632 Base-Backbone interact. energy: -2.068 local terms energy: -690.165240 where: bonds (distance) C4'-P energy: -132.647 bonds (distance) P-C4' energy: -105.756 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -102.452 tors. eta vs tors. theta energy: -206.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2177.452485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.452485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.452485 (E_RNA) where: Base-Base interactions energy: -1496.936 where: short stacking energy: -662.807 Base-Backbone interact. energy: -2.068 local terms energy: -678.448118 where: bonds (distance) C4'-P energy: -100.223 bonds (distance) P-C4' energy: -135.969 flat angles C4'-P-C4' energy: -137.520 flat angles P-C4'-P energy: -99.741 tors. eta vs tors. theta energy: -204.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2061.441700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.441700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.441700 (E_RNA) where: Base-Base interactions energy: -1400.196 where: short stacking energy: -580.690 Base-Backbone interact. energy: -1.907 local terms energy: -659.338447 where: bonds (distance) C4'-P energy: -107.968 bonds (distance) P-C4' energy: -127.073 flat angles C4'-P-C4' energy: -148.178 flat angles P-C4'-P energy: -98.381 tors. eta vs tors. theta energy: -177.740 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: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1926.328028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.328028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.328028 (E_RNA) where: Base-Base interactions energy: -1266.400 where: short stacking energy: -563.938 Base-Backbone interact. energy: -1.110 local terms energy: -658.818471 where: bonds (distance) C4'-P energy: -127.779 bonds (distance) P-C4' energy: -128.504 flat angles C4'-P-C4' energy: -142.303 flat angles P-C4'-P energy: -100.783 tors. eta vs tors. theta energy: -159.450 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: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1702.903718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.903718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.903718 (E_RNA) where: Base-Base interactions energy: -1108.645 where: short stacking energy: -476.256 Base-Backbone interact. energy: -2.906 local terms energy: -591.352644 where: bonds (distance) C4'-P energy: -109.786 bonds (distance) P-C4' energy: -129.617 flat angles C4'-P-C4' energy: -128.066 flat angles P-C4'-P energy: -93.293 tors. eta vs tors. theta energy: -130.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1708.974434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.974434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.974434 (E_RNA) where: Base-Base interactions energy: -1127.487 where: short stacking energy: -468.623 Base-Backbone interact. energy: 1.435 local terms energy: -582.923032 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -128.593 flat angles C4'-P-C4' energy: -131.922 flat angles P-C4'-P energy: -88.769 tors. eta vs tors. theta energy: -128.628 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: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1330.387866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.387866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.387866 (E_RNA) where: Base-Base interactions energy: -856.218 where: short stacking energy: -396.745 Base-Backbone interact. energy: -1.419 local terms energy: -472.750454 where: bonds (distance) C4'-P energy: -88.418 bonds (distance) P-C4' energy: -108.471 flat angles C4'-P-C4' energy: -118.688 flat angles P-C4'-P energy: -69.135 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: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -971.120518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.120518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.120518 (E_RNA) where: Base-Base interactions energy: -576.707 where: short stacking energy: -268.261 Base-Backbone interact. energy: 0.524 local terms energy: -394.936591 where: bonds (distance) C4'-P energy: -103.942 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -109.076 flat angles P-C4'-P energy: -28.908 tors. eta vs tors. theta energy: -34.161 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: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -619.837852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.837852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.837852 (E_RNA) where: Base-Base interactions energy: -277.002 where: short stacking energy: -162.879 Base-Backbone interact. energy: 7.258 local terms energy: -350.093820 where: bonds (distance) C4'-P energy: -104.910 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -100.828 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: 23.743 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2400.817693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.817693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.817693 (E_RNA) where: Base-Base interactions energy: -1689.536 where: short stacking energy: -702.180 Base-Backbone interact. energy: -1.501 local terms energy: -709.780258 where: bonds (distance) C4'-P energy: -144.222 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -149.329 flat angles P-C4'-P energy: -88.942 tors. eta vs tors. theta energy: -202.691 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: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2290.781208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.781208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.781208 (E_RNA) where: Base-Base interactions energy: -1577.470 where: short stacking energy: -680.798 Base-Backbone interact. energy: -3.109 local terms energy: -710.202372 where: bonds (distance) C4'-P energy: -129.089 bonds (distance) P-C4' energy: -123.349 flat angles C4'-P-C4' energy: -148.255 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -200.139 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: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2149.149708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.149708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.149708 (E_RNA) where: Base-Base interactions energy: -1472.757 where: short stacking energy: -661.678 Base-Backbone interact. energy: -4.583 local terms energy: -671.810387 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -125.430 flat angles C4'-P-C4' energy: -139.685 flat angles P-C4'-P energy: -86.571 tors. eta vs tors. theta energy: -198.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2063.454496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.454496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.454496 (E_RNA) where: Base-Base interactions energy: -1411.195 where: short stacking energy: -596.469 Base-Backbone interact. energy: -5.125 local terms energy: -647.134061 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -111.633 flat angles C4'-P-C4' energy: -131.892 flat angles P-C4'-P energy: -95.427 tors. eta vs tors. theta energy: -183.546 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: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1901.928701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.928701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.928701 (E_RNA) where: Base-Base interactions energy: -1262.447 where: short stacking energy: -543.284 Base-Backbone interact. energy: -2.745 local terms energy: -636.737195 where: bonds (distance) C4'-P energy: -115.857 bonds (distance) P-C4' energy: -120.629 flat angles C4'-P-C4' energy: -146.650 flat angles P-C4'-P energy: -97.476 tors. eta vs tors. theta energy: -156.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1689.948674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.948674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.948674 (E_RNA) where: Base-Base interactions energy: -1100.336 where: short stacking energy: -469.914 Base-Backbone interact. energy: -2.670 local terms energy: -586.943267 where: bonds (distance) C4'-P energy: -124.608 bonds (distance) P-C4' energy: -117.295 flat angles C4'-P-C4' energy: -120.734 flat angles P-C4'-P energy: -85.571 tors. eta vs tors. theta energy: -138.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1698.680494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.680494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.680494 (E_RNA) where: Base-Base interactions energy: -1102.924 where: short stacking energy: -483.212 Base-Backbone interact. energy: -1.414 local terms energy: -594.342490 where: bonds (distance) C4'-P energy: -116.724 bonds (distance) P-C4' energy: -129.988 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -89.528 tors. eta vs tors. theta energy: -132.096 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: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1337.509914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.509914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.509914 (E_RNA) where: Base-Base interactions energy: -839.422 where: short stacking energy: -367.104 Base-Backbone interact. energy: 3.517 local terms energy: -501.605662 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -126.585 flat angles C4'-P-C4' energy: -126.439 flat angles P-C4'-P energy: -69.536 tors. eta vs tors. theta energy: -60.158 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: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -928.399685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.399685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.399685 (E_RNA) where: Base-Base interactions energy: -554.311 where: short stacking energy: -274.098 Base-Backbone interact. energy: 2.399 local terms energy: -376.487191 where: bonds (distance) C4'-P energy: -90.592 bonds (distance) P-C4' energy: -115.226 flat angles C4'-P-C4' energy: -82.043 flat angles P-C4'-P energy: -63.963 tors. eta vs tors. theta energy: -24.663 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: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -606.825272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.825272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.825272 (E_RNA) where: Base-Base interactions energy: -252.426 where: short stacking energy: -164.991 Base-Backbone interact. energy: 1.200 local terms energy: -355.599575 where: bonds (distance) C4'-P energy: -119.212 bonds (distance) P-C4' energy: -111.723 flat angles C4'-P-C4' energy: -93.635 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: 7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2385.877334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.877334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.877334 (E_RNA) where: Base-Base interactions energy: -1643.985 where: short stacking energy: -679.301 Base-Backbone interact. energy: -3.907 local terms energy: -737.985161 where: bonds (distance) C4'-P energy: -141.184 bonds (distance) P-C4' energy: -140.518 flat angles C4'-P-C4' energy: -156.168 flat angles P-C4'-P energy: -89.038 tors. eta vs tors. theta energy: -211.077 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: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2264.076911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.076911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.076911 (E_RNA) where: Base-Base interactions energy: -1568.075 where: short stacking energy: -675.540 Base-Backbone interact. energy: 2.768 local terms energy: -698.769685 where: bonds (distance) C4'-P energy: -116.797 bonds (distance) P-C4' energy: -129.233 flat angles C4'-P-C4' energy: -157.845 flat angles P-C4'-P energy: -102.031 tors. eta vs tors. theta energy: -192.863 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: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2180.066808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.066808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.066808 (E_RNA) where: Base-Base interactions energy: -1482.167 where: short stacking energy: -624.622 Base-Backbone interact. energy: -1.828 local terms energy: -696.071689 where: bonds (distance) C4'-P energy: -126.756 bonds (distance) P-C4' energy: -124.576 flat angles C4'-P-C4' energy: -131.600 flat angles P-C4'-P energy: -113.432 tors. eta vs tors. theta energy: -199.707 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: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2060.989270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.989270 (E_RNA) where: Base-Base interactions energy: -1410.524 where: short stacking energy: -581.798 Base-Backbone interact. energy: 3.220 local terms energy: -653.685300 where: bonds (distance) C4'-P energy: -127.496 bonds (distance) P-C4' energy: -120.025 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -95.483 tors. eta vs tors. theta energy: -167.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1851.483612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.483612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.483612 (E_RNA) where: Base-Base interactions energy: -1232.163 where: short stacking energy: -579.130 Base-Backbone interact. energy: -2.571 local terms energy: -616.749313 where: bonds (distance) C4'-P energy: -107.590 bonds (distance) P-C4' energy: -119.514 flat angles C4'-P-C4' energy: -141.838 flat angles P-C4'-P energy: -81.072 tors. eta vs tors. theta energy: -166.736 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: 6, replica: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1819.662334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.662334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.662334 (E_RNA) where: Base-Base interactions energy: -1252.490 where: short stacking energy: -551.316 Base-Backbone interact. energy: -2.304 local terms energy: -564.868443 where: bonds (distance) C4'-P energy: -101.641 bonds (distance) P-C4' energy: -113.317 flat angles C4'-P-C4' energy: -120.513 flat angles P-C4'-P energy: -72.452 tors. eta vs tors. theta energy: -156.946 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: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1660.509900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.509900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.509900 (E_RNA) where: Base-Base interactions energy: -1075.594 where: short stacking energy: -485.855 Base-Backbone interact. energy: -1.123 local terms energy: -583.793580 where: bonds (distance) C4'-P energy: -129.882 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -76.652 tors. eta vs tors. theta energy: -144.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1303.347952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.347952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.347952 (E_RNA) where: Base-Base interactions energy: -827.151 where: short stacking energy: -360.162 Base-Backbone interact. energy: -3.385 local terms energy: -472.812159 where: bonds (distance) C4'-P energy: -123.140 bonds (distance) P-C4' energy: -104.600 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -63.421 tors. eta vs tors. theta energy: -59.880 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: 6 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -943.705412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.705412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.705412 (E_RNA) where: Base-Base interactions energy: -519.043 where: short stacking energy: -238.956 Base-Backbone interact. energy: 0.855 local terms energy: -425.517371 where: bonds (distance) C4'-P energy: -110.315 bonds (distance) P-C4' energy: -110.515 flat angles C4'-P-C4' energy: -107.049 flat angles P-C4'-P energy: -80.070 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -632.818677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.818677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.818677 (E_RNA) where: Base-Base interactions energy: -317.914 where: short stacking energy: -185.636 Base-Backbone interact. energy: 1.449 local terms energy: -316.353729 where: bonds (distance) C4'-P energy: -109.311 bonds (distance) P-C4' energy: -111.139 flat angles C4'-P-C4' energy: -65.240 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: 13.924 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: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2403.302050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.302050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.302050 (E_RNA) where: Base-Base interactions energy: -1653.051 where: short stacking energy: -692.275 Base-Backbone interact. energy: -1.952 local terms energy: -748.298991 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -140.616 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -105.687 tors. eta vs tors. theta energy: -209.987 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: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2319.882868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.882868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.882868 (E_RNA) where: Base-Base interactions energy: -1597.828 where: short stacking energy: -676.252 Base-Backbone interact. energy: -2.617 local terms energy: -719.437859 where: bonds (distance) C4'-P energy: -126.759 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -144.341 flat angles P-C4'-P energy: -109.127 tors. eta vs tors. theta energy: -201.968 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: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2196.055408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.055408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.055408 (E_RNA) where: Base-Base interactions energy: -1503.812 where: short stacking energy: -633.715 Base-Backbone interact. energy: -0.869 local terms energy: -691.374381 where: bonds (distance) C4'-P energy: -120.362 bonds (distance) P-C4' energy: -141.256 flat angles C4'-P-C4' energy: -152.226 flat angles P-C4'-P energy: -88.627 tors. eta vs tors. theta energy: -188.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2109.133375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.133375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.133375 (E_RNA) where: Base-Base interactions energy: -1440.461 where: short stacking energy: -622.521 Base-Backbone interact. energy: -1.081 local terms energy: -667.591267 where: bonds (distance) C4'-P energy: -124.937 bonds (distance) P-C4' energy: -118.041 flat angles C4'-P-C4' energy: -137.050 flat angles P-C4'-P energy: -91.041 tors. eta vs tors. theta energy: -196.521 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: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1927.902508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.902508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.902508 (E_RNA) where: Base-Base interactions energy: -1321.457 where: short stacking energy: -596.993 Base-Backbone interact. energy: -1.287 local terms energy: -605.158267 where: bonds (distance) C4'-P energy: -101.335 bonds (distance) P-C4' energy: -127.027 flat angles C4'-P-C4' energy: -139.659 flat angles P-C4'-P energy: -66.998 tors. eta vs tors. theta energy: -170.139 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1846.651515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.651515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.651515 (E_RNA) where: Base-Base interactions energy: -1225.407 where: short stacking energy: -552.530 Base-Backbone interact. energy: -0.362 local terms energy: -620.882549 where: bonds (distance) C4'-P energy: -112.701 bonds (distance) P-C4' energy: -109.892 flat angles C4'-P-C4' energy: -142.487 flat angles P-C4'-P energy: -83.769 tors. eta vs tors. theta energy: -172.034 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: 7, replica: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1645.692860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.692860 (E_RNA) where: Base-Base interactions energy: -1083.610 where: short stacking energy: -483.254 Base-Backbone interact. energy: -3.433 local terms energy: -558.649032 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -96.998 flat angles C4'-P-C4' energy: -129.946 flat angles P-C4'-P energy: -77.607 tors. eta vs tors. theta energy: -135.017 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: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1349.201023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.201023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.201023 (E_RNA) where: Base-Base interactions energy: -866.118 where: short stacking energy: -387.954 Base-Backbone interact. energy: -3.103 local terms energy: -479.979991 where: bonds (distance) C4'-P energy: -102.717 bonds (distance) P-C4' energy: -106.876 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -64.373 tors. eta vs tors. theta energy: -83.338 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: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -943.628122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.628122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.628122 (E_RNA) where: Base-Base interactions energy: -528.482 where: short stacking energy: -258.164 Base-Backbone interact. energy: -1.979 local terms energy: -413.167822 where: bonds (distance) C4'-P energy: -96.065 bonds (distance) P-C4' energy: -130.598 flat angles C4'-P-C4' energy: -105.502 flat angles P-C4'-P energy: -61.060 tors. eta vs tors. theta energy: -19.942 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: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -649.522554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.522554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.522554 (E_RNA) where: Base-Base interactions energy: -306.768 where: short stacking energy: -159.806 Base-Backbone interact. energy: 4.890 local terms energy: -347.644563 where: bonds (distance) C4'-P energy: -96.053 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -97.563 flat angles P-C4'-P energy: -60.797 tors. eta vs tors. theta energy: 26.866 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: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2399.092926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.092926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.092926 (E_RNA) where: Base-Base interactions energy: -1670.171 where: short stacking energy: -691.283 Base-Backbone interact. energy: -2.115 local terms energy: -726.806908 where: bonds (distance) C4'-P energy: -124.878 bonds (distance) P-C4' energy: -144.649 flat angles C4'-P-C4' energy: -147.848 flat angles P-C4'-P energy: -97.739 tors. eta vs tors. theta energy: -211.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2329.790484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.790484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.790484 (E_RNA) where: Base-Base interactions energy: -1596.552 where: short stacking energy: -675.399 Base-Backbone interact. energy: -2.272 local terms energy: -730.967021 where: bonds (distance) C4'-P energy: -137.687 bonds (distance) P-C4' energy: -146.211 flat angles C4'-P-C4' energy: -151.280 flat angles P-C4'-P energy: -99.630 tors. eta vs tors. theta energy: -196.159 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: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2206.507827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.507827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.507827 (E_RNA) where: Base-Base interactions energy: -1515.272 where: short stacking energy: -653.458 Base-Backbone interact. energy: -6.026 local terms energy: -685.209296 where: bonds (distance) C4'-P energy: -121.147 bonds (distance) P-C4' energy: -123.528 flat angles C4'-P-C4' energy: -149.584 flat angles P-C4'-P energy: -98.489 tors. eta vs tors. theta energy: -192.461 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: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2141.163727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.163727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.163727 (E_RNA) where: Base-Base interactions energy: -1480.775 where: short stacking energy: -618.976 Base-Backbone interact. energy: -0.644 local terms energy: -659.743877 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -124.836 flat angles C4'-P-C4' energy: -147.802 flat angles P-C4'-P energy: -82.577 tors. eta vs tors. theta energy: -188.144 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: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1903.043303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.043303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.043303 (E_RNA) where: Base-Base interactions energy: -1310.219 where: short stacking energy: -554.319 Base-Backbone interact. energy: -0.850 local terms energy: -591.974306 where: bonds (distance) C4'-P energy: -91.956 bonds (distance) P-C4' energy: -118.270 flat angles C4'-P-C4' energy: -130.458 flat angles P-C4'-P energy: -98.803 tors. eta vs tors. theta energy: -152.487 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: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1828.293686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.293686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.293686 (E_RNA) where: Base-Base interactions energy: -1241.722 where: short stacking energy: -547.216 Base-Backbone interact. energy: -0.091 local terms energy: -586.480628 where: bonds (distance) C4'-P energy: -121.887 bonds (distance) P-C4' energy: -94.650 flat angles C4'-P-C4' energy: -132.750 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: -146.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1617.713009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.713009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.713009 (E_RNA) where: Base-Base interactions energy: -1060.985 where: short stacking energy: -478.325 Base-Backbone interact. energy: -2.356 local terms energy: -554.371075 where: bonds (distance) C4'-P energy: -106.406 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -115.837 flat angles P-C4'-P energy: -81.924 tors. eta vs tors. theta energy: -133.595 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: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1320.233390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.233390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.233390 (E_RNA) where: Base-Base interactions energy: -817.804 where: short stacking energy: -367.619 Base-Backbone interact. energy: -2.492 local terms energy: -499.938017 where: bonds (distance) C4'-P energy: -106.196 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -115.703 flat angles P-C4'-P energy: -74.780 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: 9, replica: 6 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -923.671998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.671998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.671998 (E_RNA) where: Base-Base interactions energy: -509.902 where: short stacking energy: -270.316 Base-Backbone interact. energy: -3.737 local terms energy: -410.033380 where: bonds (distance) C4'-P energy: -99.959 bonds (distance) P-C4' energy: -103.696 flat angles C4'-P-C4' energy: -110.482 flat angles P-C4'-P energy: -65.051 tors. eta vs tors. theta energy: -30.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -621.702079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.702079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.702079 (E_RNA) where: Base-Base interactions energy: -267.511 where: short stacking energy: -171.075 Base-Backbone interact. energy: -0.886 local terms energy: -353.304771 where: bonds (distance) C4'-P energy: -101.802 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -98.527 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: 9.696 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: 390 Temperature: 0.900000 Total energy: -2400.867034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.867034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.867034 (E_RNA) where: Base-Base interactions energy: -1663.657 where: short stacking energy: -691.011 Base-Backbone interact. energy: -0.819 local terms energy: -736.391336 where: bonds (distance) C4'-P energy: -138.702 bonds (distance) P-C4' energy: -130.693 flat angles C4'-P-C4' energy: -152.389 flat angles P-C4'-P energy: -109.178 tors. eta vs tors. theta energy: -205.428 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: 390 Temperature: 0.950000 Total energy: -2312.326076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.326076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.326076 (E_RNA) where: Base-Base interactions energy: -1617.060 where: short stacking energy: -651.805 Base-Backbone interact. energy: -1.252 local terms energy: -694.014434 where: bonds (distance) C4'-P energy: -125.852 bonds (distance) P-C4' energy: -130.556 flat angles C4'-P-C4' energy: -152.766 flat angles P-C4'-P energy: -86.422 tors. eta vs tors. theta energy: -198.419 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: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2201.768596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.768596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.768596 (E_RNA) where: Base-Base interactions energy: -1527.387 where: short stacking energy: -669.583 Base-Backbone interact. energy: 1.495 local terms energy: -675.877015 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -131.671 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -201.393 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: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2082.435865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.435865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.435865 (E_RNA) where: Base-Base interactions energy: -1420.021 where: short stacking energy: -608.703 Base-Backbone interact. energy: -0.907 local terms energy: -661.508284 where: bonds (distance) C4'-P energy: -128.339 bonds (distance) P-C4' energy: -117.396 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -99.618 tors. eta vs tors. theta energy: -173.141 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: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1870.020124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.020124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.020124 (E_RNA) where: Base-Base interactions energy: -1246.514 where: short stacking energy: -545.057 Base-Backbone interact. energy: -1.141 local terms energy: -622.365654 where: bonds (distance) C4'-P energy: -121.586 bonds (distance) P-C4' energy: -115.591 flat angles C4'-P-C4' energy: -133.564 flat angles P-C4'-P energy: -89.812 tors. eta vs tors. theta energy: -161.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1760.445477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.445477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.445477 (E_RNA) where: Base-Base interactions energy: -1203.958 where: short stacking energy: -511.167 Base-Backbone interact. energy: -0.503 local terms energy: -555.985012 where: bonds (distance) C4'-P energy: -106.682 bonds (distance) P-C4' energy: -124.398 flat angles C4'-P-C4' energy: -122.895 flat angles P-C4'-P energy: -70.352 tors. eta vs tors. theta energy: -131.657 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: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1563.250196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.250196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.250196 (E_RNA) where: Base-Base interactions energy: -1026.948 where: short stacking energy: -462.165 Base-Backbone interact. energy: -4.335 local terms energy: -531.966722 where: bonds (distance) C4'-P energy: -105.237 bonds (distance) P-C4' energy: -113.384 flat angles C4'-P-C4' energy: -114.526 flat angles P-C4'-P energy: -86.812 tors. eta vs tors. theta energy: -112.008 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: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1368.921467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.921467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.921467 (E_RNA) where: Base-Base interactions energy: -895.332 where: short stacking energy: -401.857 Base-Backbone interact. energy: -2.203 local terms energy: -471.386181 where: bonds (distance) C4'-P energy: -106.967 bonds (distance) P-C4' energy: -104.056 flat angles C4'-P-C4' energy: -91.691 flat angles P-C4'-P energy: -80.073 tors. eta vs tors. theta energy: -88.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -995.736558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.736558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.736558 (E_RNA) where: Base-Base interactions energy: -570.517 where: short stacking energy: -298.358 Base-Backbone interact. energy: -4.462 local terms energy: -420.757209 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -111.882 flat angles C4'-P-C4' energy: -100.942 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: -36.134 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: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -630.465726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.465726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.465726 (E_RNA) where: Base-Base interactions energy: -310.798 where: short stacking energy: -193.403 Base-Backbone interact. energy: -1.466 local terms energy: -318.201683 where: bonds (distance) C4'-P energy: -99.005 bonds (distance) P-C4' energy: -118.912 flat angles C4'-P-C4' energy: -65.213 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: 26.274 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: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2392.593969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.593969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.593969 (E_RNA) where: Base-Base interactions energy: -1662.543 where: short stacking energy: -691.802 Base-Backbone interact. energy: -3.360 local terms energy: -726.690938 where: bonds (distance) C4'-P energy: -128.495 bonds (distance) P-C4' energy: -133.881 flat angles C4'-P-C4' energy: -152.940 flat angles P-C4'-P energy: -103.950 tors. eta vs tors. theta energy: -207.424 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: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2324.147300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.147300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.147300 (E_RNA) where: Base-Base interactions energy: -1627.532 where: short stacking energy: -697.864 Base-Backbone interact. energy: 6.251 local terms energy: -702.866818 where: bonds (distance) C4'-P energy: -123.079 bonds (distance) P-C4' energy: -126.989 flat angles C4'-P-C4' energy: -143.334 flat angles P-C4'-P energy: -103.919 tors. eta vs tors. theta energy: -205.546 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: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2232.049220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.049220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.049220 (E_RNA) where: Base-Base interactions energy: -1534.670 where: short stacking energy: -675.389 Base-Backbone interact. energy: -2.792 local terms energy: -694.587298 where: bonds (distance) C4'-P energy: -119.448 bonds (distance) P-C4' energy: -118.986 flat angles C4'-P-C4' energy: -152.341 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -208.175 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: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2063.025606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.025606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.025606 (E_RNA) where: Base-Base interactions energy: -1412.666 where: short stacking energy: -553.812 Base-Backbone interact. energy: -1.132 local terms energy: -649.227284 where: bonds (distance) C4'-P energy: -120.488 bonds (distance) P-C4' energy: -121.241 flat angles C4'-P-C4' energy: -143.302 flat angles P-C4'-P energy: -93.037 tors. eta vs tors. theta energy: -171.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1864.200440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.200440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.200440 (E_RNA) where: Base-Base interactions energy: -1226.535 where: short stacking energy: -524.908 Base-Backbone interact. energy: -4.191 local terms energy: -633.473687 where: bonds (distance) C4'-P energy: -115.847 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -135.779 flat angles P-C4'-P energy: -98.656 tors. eta vs tors. theta energy: -153.376 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: 6, replica: 8 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1711.142293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.142293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.142293 (E_RNA) where: Base-Base interactions energy: -1144.173 where: short stacking energy: -518.453 Base-Backbone interact. energy: 8.020 local terms energy: -574.989191 where: bonds (distance) C4'-P energy: -119.346 bonds (distance) P-C4' energy: -118.280 flat angles C4'-P-C4' energy: -123.331 flat angles P-C4'-P energy: -78.380 tors. eta vs tors. theta energy: -135.653 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: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1592.571022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.571022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.571022 (E_RNA) where: Base-Base interactions energy: -1059.832 where: short stacking energy: -468.852 Base-Backbone interact. energy: -3.490 local terms energy: -529.249207 where: bonds (distance) C4'-P energy: -110.555 bonds (distance) P-C4' energy: -125.234 flat angles C4'-P-C4' energy: -106.129 flat angles P-C4'-P energy: -72.477 tors. eta vs tors. theta energy: -114.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1395.284686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.284686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.284686 (E_RNA) where: Base-Base interactions energy: -893.519 where: short stacking energy: -389.966 Base-Backbone interact. energy: -4.416 local terms energy: -497.349639 where: bonds (distance) C4'-P energy: -118.240 bonds (distance) P-C4' energy: -106.191 flat angles C4'-P-C4' energy: -111.184 flat angles P-C4'-P energy: -73.485 tors. eta vs tors. theta energy: -88.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -957.552133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.552133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.552133 (E_RNA) where: Base-Base interactions energy: -529.970 where: short stacking energy: -265.306 Base-Backbone interact. energy: -2.126 local terms energy: -425.456445 where: bonds (distance) C4'-P energy: -122.492 bonds (distance) P-C4' energy: -112.168 flat angles C4'-P-C4' energy: -91.128 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -28.461 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: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -581.970984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.970984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.970984 (E_RNA) where: Base-Base interactions energy: -251.001 where: short stacking energy: -161.505 Base-Backbone interact. energy: -1.373 local terms energy: -329.596132 where: bonds (distance) C4'-P energy: -121.829 bonds (distance) P-C4' energy: -101.923 flat angles C4'-P-C4' energy: -82.712 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: 23.527 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: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2401.442040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.442040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.442040 (E_RNA) where: Base-Base interactions energy: -1671.768 where: short stacking energy: -718.459 Base-Backbone interact. energy: 1.207 local terms energy: -730.881369 where: bonds (distance) C4'-P energy: -138.380 bonds (distance) P-C4' energy: -141.459 flat angles C4'-P-C4' energy: -146.233 flat angles P-C4'-P energy: -95.705 tors. eta vs tors. theta energy: -209.104 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: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2320.009592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.009592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.009592 (E_RNA) where: Base-Base interactions energy: -1570.661 where: short stacking energy: -674.982 Base-Backbone interact. energy: -3.968 local terms energy: -745.380258 where: bonds (distance) C4'-P energy: -136.846 bonds (distance) P-C4' energy: -143.850 flat angles C4'-P-C4' energy: -137.691 flat angles P-C4'-P energy: -119.364 tors. eta vs tors. theta energy: -207.629 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: 3, replica: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2235.583968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.583968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.583968 (E_RNA) where: Base-Base interactions energy: -1521.002 where: short stacking energy: -678.498 Base-Backbone interact. energy: -0.076 local terms energy: -714.506899 where: bonds (distance) C4'-P energy: -124.863 bonds (distance) P-C4' energy: -132.732 flat angles C4'-P-C4' energy: -148.843 flat angles P-C4'-P energy: -98.541 tors. eta vs tors. theta energy: -209.529 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: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2130.634477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.634477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.634477 (E_RNA) where: Base-Base interactions energy: -1466.005 where: short stacking energy: -597.062 Base-Backbone interact. energy: -0.816 local terms energy: -663.812788 where: bonds (distance) C4'-P energy: -108.976 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -140.402 flat angles P-C4'-P energy: -105.241 tors. eta vs tors. theta energy: -182.552 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1873.283098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.283098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.283098 (E_RNA) where: Base-Base interactions energy: -1265.440 where: short stacking energy: -587.664 Base-Backbone interact. energy: 1.034 local terms energy: -608.876175 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -102.125 flat angles C4'-P-C4' energy: -139.930 flat angles P-C4'-P energy: -97.564 tors. eta vs tors. theta energy: -152.407 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: 392 Temperature: 1.150000 Total energy: -1701.752170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.752170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.752170 (E_RNA) where: Base-Base interactions energy: -1147.212 where: short stacking energy: -512.943 Base-Backbone interact. energy: -2.072 local terms energy: -552.467532 where: bonds (distance) C4'-P energy: -114.816 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -120.857 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -116.241 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: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1627.912648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.912648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.912648 (E_RNA) where: Base-Base interactions energy: -1070.469 where: short stacking energy: -468.136 Base-Backbone interact. energy: -0.470 local terms energy: -556.974343 where: bonds (distance) C4'-P energy: -113.326 bonds (distance) P-C4' energy: -111.524 flat angles C4'-P-C4' energy: -118.213 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -127.496 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: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1372.897362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.897362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.897362 (E_RNA) where: Base-Base interactions energy: -895.395 where: short stacking energy: -410.391 Base-Backbone interact. energy: 1.277 local terms energy: -478.779442 where: bonds (distance) C4'-P energy: -107.097 bonds (distance) P-C4' energy: -103.734 flat angles C4'-P-C4' energy: -104.362 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -85.107 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: 9, replica: 6 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1002.724899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.724899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.724899 (E_RNA) where: Base-Base interactions energy: -579.216 where: short stacking energy: -309.883 Base-Backbone interact. energy: 2.384 local terms energy: -425.892002 where: bonds (distance) C4'-P energy: -112.745 bonds (distance) P-C4' energy: -101.349 flat angles C4'-P-C4' energy: -107.488 flat angles P-C4'-P energy: -58.439 tors. eta vs tors. theta energy: -45.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -643.360844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.360844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.360844 (E_RNA) where: Base-Base interactions energy: -289.727 where: short stacking energy: -188.378 Base-Backbone interact. energy: -1.353 local terms energy: -352.281564 where: bonds (distance) C4'-P energy: -96.525 bonds (distance) P-C4' energy: -109.632 flat angles C4'-P-C4' energy: -95.447 flat angles P-C4'-P energy: -50.859 tors. eta vs tors. theta energy: 0.182 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: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2415.234562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.234562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.234562 (E_RNA) where: Base-Base interactions energy: -1667.902 where: short stacking energy: -697.161 Base-Backbone interact. energy: -2.077 local terms energy: -745.256210 where: bonds (distance) C4'-P energy: -140.627 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -155.959 flat angles P-C4'-P energy: -99.460 tors. eta vs tors. theta energy: -211.949 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: 393 Temperature: 0.950000 Total energy: -2313.622997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.622997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.622997 (E_RNA) where: Base-Base interactions energy: -1570.307 where: short stacking energy: -676.851 Base-Backbone interact. energy: -0.316 local terms energy: -743.000026 where: bonds (distance) C4'-P energy: -128.079 bonds (distance) P-C4' energy: -140.899 flat angles C4'-P-C4' energy: -164.654 flat angles P-C4'-P energy: -97.118 tors. eta vs tors. theta energy: -212.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2246.773934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.773934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.773934 (E_RNA) where: Base-Base interactions energy: -1512.567 where: short stacking energy: -660.880 Base-Backbone interact. energy: -4.697 local terms energy: -729.510534 where: bonds (distance) C4'-P energy: -133.365 bonds (distance) P-C4' energy: -145.696 flat angles C4'-P-C4' energy: -146.776 flat angles P-C4'-P energy: -92.534 tors. eta vs tors. theta energy: -211.139 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: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2105.328476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.328476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.328476 (E_RNA) where: Base-Base interactions energy: -1423.581 where: short stacking energy: -602.301 Base-Backbone interact. energy: -1.692 local terms energy: -680.055579 where: bonds (distance) C4'-P energy: -129.394 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -143.778 flat angles P-C4'-P energy: -105.865 tors. eta vs tors. theta energy: -182.404 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: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1893.651584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.651584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.651584 (E_RNA) where: Base-Base interactions energy: -1279.077 where: short stacking energy: -544.262 Base-Backbone interact. energy: -1.284 local terms energy: -613.290248 where: bonds (distance) C4'-P energy: -113.509 bonds (distance) P-C4' energy: -131.435 flat angles C4'-P-C4' energy: -132.273 flat angles P-C4'-P energy: -75.413 tors. eta vs tors. theta energy: -160.661 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: 8 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1753.274131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.274131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.274131 (E_RNA) where: Base-Base interactions energy: -1175.288 where: short stacking energy: -508.695 Base-Backbone interact. energy: 0.997 local terms energy: -578.983301 where: bonds (distance) C4'-P energy: -117.662 bonds (distance) P-C4' energy: -113.234 flat angles C4'-P-C4' energy: -133.422 flat angles P-C4'-P energy: -90.678 tors. eta vs tors. theta energy: -123.987 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: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1566.695025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.695025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.695025 (E_RNA) where: Base-Base interactions energy: -1045.077 where: short stacking energy: -448.513 Base-Backbone interact. energy: -1.341 local terms energy: -520.277291 where: bonds (distance) C4'-P energy: -107.085 bonds (distance) P-C4' energy: -95.476 flat angles C4'-P-C4' energy: -117.816 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -115.008 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: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1375.214853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.214853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.214853 (E_RNA) where: Base-Base interactions energy: -901.778 where: short stacking energy: -408.223 Base-Backbone interact. energy: 5.582 local terms energy: -479.018510 where: bonds (distance) C4'-P energy: -110.967 bonds (distance) P-C4' energy: -103.263 flat angles C4'-P-C4' energy: -102.981 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -95.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1020.289719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.289719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.289719 (E_RNA) where: Base-Base interactions energy: -587.900 where: short stacking energy: -311.448 Base-Backbone interact. energy: -3.990 local terms energy: -428.399441 where: bonds (distance) C4'-P energy: -101.260 bonds (distance) P-C4' energy: -101.223 flat angles C4'-P-C4' energy: -105.050 flat angles P-C4'-P energy: -76.765 tors. eta vs tors. theta energy: -44.100 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: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -662.837883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.837883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.837883 (E_RNA) where: Base-Base interactions energy: -293.594 where: short stacking energy: -192.901 Base-Backbone interact. energy: 6.294 local terms energy: -375.538570 where: bonds (distance) C4'-P energy: -95.690 bonds (distance) P-C4' energy: -120.567 flat angles C4'-P-C4' energy: -96.313 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -0.758 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: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2409.266626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.266626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.266626 (E_RNA) where: Base-Base interactions energy: -1647.459 where: short stacking energy: -688.990 Base-Backbone interact. energy: -2.316 local terms energy: -759.491747 where: bonds (distance) C4'-P energy: -141.408 bonds (distance) P-C4' energy: -140.482 flat angles C4'-P-C4' energy: -152.701 flat angles P-C4'-P energy: -107.134 tors. eta vs tors. theta energy: -217.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2302.003389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.003389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.003389 (E_RNA) where: Base-Base interactions energy: -1573.428 where: short stacking energy: -659.199 Base-Backbone interact. energy: 1.142 local terms energy: -729.717459 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -130.426 flat angles C4'-P-C4' energy: -161.285 flat angles P-C4'-P energy: -105.026 tors. eta vs tors. theta energy: -200.223 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: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2229.923206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.923206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.923206 (E_RNA) where: Base-Base interactions energy: -1537.867 where: short stacking energy: -653.291 Base-Backbone interact. energy: 0.294 local terms energy: -692.350185 where: bonds (distance) C4'-P energy: -121.603 bonds (distance) P-C4' energy: -119.042 flat angles C4'-P-C4' energy: -149.870 flat angles P-C4'-P energy: -90.723 tors. eta vs tors. theta energy: -211.112 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: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2054.486611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.486611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.486611 (E_RNA) where: Base-Base interactions energy: -1412.995 where: short stacking energy: -594.923 Base-Backbone interact. energy: -3.438 local terms energy: -638.053757 where: bonds (distance) C4'-P energy: -106.152 bonds (distance) P-C4' energy: -121.041 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -93.306 tors. eta vs tors. theta energy: -172.394 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: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1896.375368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.375368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.375368 (E_RNA) where: Base-Base interactions energy: -1267.370 where: short stacking energy: -548.477 Base-Backbone interact. energy: -1.008 local terms energy: -627.997607 where: bonds (distance) C4'-P energy: -116.815 bonds (distance) P-C4' energy: -124.211 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -97.394 tors. eta vs tors. theta energy: -154.703 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: 8 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1763.431638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.431638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.431638 (E_RNA) where: Base-Base interactions energy: -1176.872 where: short stacking energy: -561.458 Base-Backbone interact. energy: -2.464 local terms energy: -584.095616 where: bonds (distance) C4'-P energy: -106.378 bonds (distance) P-C4' energy: -109.590 flat angles C4'-P-C4' energy: -132.691 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -156.200 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: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1567.301432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.301432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.301432 (E_RNA) where: Base-Base interactions energy: -1029.482 where: short stacking energy: -441.596 Base-Backbone interact. energy: 2.913 local terms energy: -540.731858 where: bonds (distance) C4'-P energy: -103.677 bonds (distance) P-C4' energy: -116.368 flat angles C4'-P-C4' energy: -134.376 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -116.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1338.064414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.064414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.064414 (E_RNA) where: Base-Base interactions energy: -824.209 where: short stacking energy: -389.262 Base-Backbone interact. energy: -2.718 local terms energy: -511.137100 where: bonds (distance) C4'-P energy: -118.111 bonds (distance) P-C4' energy: -100.062 flat angles C4'-P-C4' energy: -115.408 flat angles P-C4'-P energy: -86.648 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: 9, replica: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -982.160713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.160713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.160713 (E_RNA) where: Base-Base interactions energy: -559.690 where: short stacking energy: -270.758 Base-Backbone interact. energy: -3.662 local terms energy: -418.808311 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -105.435 flat angles C4'-P-C4' energy: -107.835 flat angles P-C4'-P energy: -49.914 tors. eta vs tors. theta energy: -33.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -656.595895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.595895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.595895 (E_RNA) where: Base-Base interactions energy: -289.490 where: short stacking energy: -193.127 Base-Backbone interact. energy: -1.783 local terms energy: -365.322748 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -113.760 flat angles C4'-P-C4' energy: -92.760 flat angles P-C4'-P energy: -46.563 tors. eta vs tors. theta energy: 10.239 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2405.828374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.828374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.828374 (E_RNA) where: Base-Base interactions energy: -1652.200 where: short stacking energy: -701.639 Base-Backbone interact. energy: -1.900 local terms energy: -751.728502 where: bonds (distance) C4'-P energy: -130.299 bonds (distance) P-C4' energy: -141.528 flat angles C4'-P-C4' energy: -155.402 flat angles P-C4'-P energy: -109.101 tors. eta vs tors. theta energy: -215.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2307.613627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.613627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.613627 (E_RNA) where: Base-Base interactions energy: -1623.392 where: short stacking energy: -671.509 Base-Backbone interact. energy: -0.814 local terms energy: -683.408340 where: bonds (distance) C4'-P energy: -119.465 bonds (distance) P-C4' energy: -124.806 flat angles C4'-P-C4' energy: -150.280 flat angles P-C4'-P energy: -89.768 tors. eta vs tors. theta energy: -199.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2233.285478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.285478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.285478 (E_RNA) where: Base-Base interactions energy: -1514.645 where: short stacking energy: -654.549 Base-Backbone interact. energy: -2.165 local terms energy: -716.475715 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -123.778 flat angles C4'-P-C4' energy: -154.361 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -203.090 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: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2047.796618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.796618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.796618 (E_RNA) where: Base-Base interactions energy: -1402.440 where: short stacking energy: -580.937 Base-Backbone interact. energy: -4.152 local terms energy: -641.204383 where: bonds (distance) C4'-P energy: -112.299 bonds (distance) P-C4' energy: -125.697 flat angles C4'-P-C4' energy: -142.857 flat angles P-C4'-P energy: -81.447 tors. eta vs tors. theta energy: -178.904 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1894.669938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.669938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.669938 (E_RNA) where: Base-Base interactions energy: -1269.987 where: short stacking energy: -560.436 Base-Backbone interact. energy: -0.017 local terms energy: -624.665603 where: bonds (distance) C4'-P energy: -107.696 bonds (distance) P-C4' energy: -121.642 flat angles C4'-P-C4' energy: -143.430 flat angles P-C4'-P energy: -79.647 tors. eta vs tors. theta energy: -172.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1690.255199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.255199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.255199 (E_RNA) where: Base-Base interactions energy: -1125.351 where: short stacking energy: -493.326 Base-Backbone interact. energy: -0.374 local terms energy: -564.530175 where: bonds (distance) C4'-P energy: -108.657 bonds (distance) P-C4' energy: -115.196 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -143.393 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: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1590.178170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.178170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.178170 (E_RNA) where: Base-Base interactions energy: -1052.040 where: short stacking energy: -444.935 Base-Backbone interact. energy: -1.212 local terms energy: -536.925668 where: bonds (distance) C4'-P energy: -105.029 bonds (distance) P-C4' energy: -119.257 flat angles C4'-P-C4' energy: -125.000 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -116.436 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: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1343.574563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.574563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.574563 (E_RNA) where: Base-Base interactions energy: -857.347 where: short stacking energy: -368.997 Base-Backbone interact. energy: -0.063 local terms energy: -486.163990 where: bonds (distance) C4'-P energy: -104.510 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -128.445 flat angles P-C4'-P energy: -62.745 tors. eta vs tors. theta energy: -80.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -977.087697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.087697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.087697 (E_RNA) where: Base-Base interactions energy: -547.853 where: short stacking energy: -240.814 Base-Backbone interact. energy: -0.339 local terms energy: -428.896044 where: bonds (distance) C4'-P energy: -111.831 bonds (distance) P-C4' energy: -107.759 flat angles C4'-P-C4' energy: -122.386 flat angles P-C4'-P energy: -77.223 tors. eta vs tors. theta energy: -9.697 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: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -641.620023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.620023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.620023 (E_RNA) where: Base-Base interactions energy: -309.380 where: short stacking energy: -188.665 Base-Backbone interact. energy: -0.200 local terms energy: -332.040738 where: bonds (distance) C4'-P energy: -76.103 bonds (distance) P-C4' energy: -100.816 flat angles C4'-P-C4' energy: -126.663 flat angles P-C4'-P energy: -45.108 tors. eta vs tors. theta energy: 16.648 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: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2364.582562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.582562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.582562 (E_RNA) where: Base-Base interactions energy: -1645.534 where: short stacking energy: -666.464 Base-Backbone interact. energy: -1.457 local terms energy: -717.591494 where: bonds (distance) C4'-P energy: -128.314 bonds (distance) P-C4' energy: -137.894 flat angles C4'-P-C4' energy: -145.619 flat angles P-C4'-P energy: -106.246 tors. eta vs tors. theta energy: -199.519 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: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2371.207500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.207500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.207500 (E_RNA) where: Base-Base interactions energy: -1639.786 where: short stacking energy: -710.710 Base-Backbone interact. energy: -3.656 local terms energy: -727.765650 where: bonds (distance) C4'-P energy: -129.568 bonds (distance) P-C4' energy: -124.721 flat angles C4'-P-C4' energy: -162.250 flat angles P-C4'-P energy: -98.640 tors. eta vs tors. theta energy: -212.587 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: 3, replica: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2236.061605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.061605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.061605 (E_RNA) where: Base-Base interactions energy: -1536.673 where: short stacking energy: -671.758 Base-Backbone interact. energy: -2.256 local terms energy: -697.132007 where: bonds (distance) C4'-P energy: -119.960 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -144.543 flat angles P-C4'-P energy: -97.613 tors. eta vs tors. theta energy: -204.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2061.830027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.830027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.830027 (E_RNA) where: Base-Base interactions energy: -1392.240 where: short stacking energy: -568.433 Base-Backbone interact. energy: -1.813 local terms energy: -667.776599 where: bonds (distance) C4'-P energy: -129.018 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -90.037 tors. eta vs tors. theta energy: -173.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1863.969799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.969799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.969799 (E_RNA) where: Base-Base interactions energy: -1284.961 where: short stacking energy: -561.543 Base-Backbone interact. energy: -2.412 local terms energy: -576.596904 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -127.711 flat angles P-C4'-P energy: -68.622 tors. eta vs tors. theta energy: -153.029 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: 8 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1712.617544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.617544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.617544 (E_RNA) where: Base-Base interactions energy: -1166.795 where: short stacking energy: -525.501 Base-Backbone interact. energy: 1.949 local terms energy: -547.771905 where: bonds (distance) C4'-P energy: -104.057 bonds (distance) P-C4' energy: -117.306 flat angles C4'-P-C4' energy: -119.618 flat angles P-C4'-P energy: -67.941 tors. eta vs tors. theta energy: -138.850 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: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1545.882925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.882925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.882925 (E_RNA) where: Base-Base interactions energy: -1024.191 where: short stacking energy: -446.500 Base-Backbone interact. energy: -2.034 local terms energy: -519.657673 where: bonds (distance) C4'-P energy: -110.518 bonds (distance) P-C4' energy: -109.692 flat angles C4'-P-C4' energy: -109.317 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -116.782 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: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1374.396629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.396629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.396629 (E_RNA) where: Base-Base interactions energy: -885.238 where: short stacking energy: -412.915 Base-Backbone interact. energy: 2.352 local terms energy: -491.510670 where: bonds (distance) C4'-P energy: -83.544 bonds (distance) P-C4' energy: -105.701 flat angles C4'-P-C4' energy: -130.513 flat angles P-C4'-P energy: -67.848 tors. eta vs tors. theta energy: -103.905 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: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -961.366021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.366021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.366021 (E_RNA) where: Base-Base interactions energy: -555.515 where: short stacking energy: -273.461 Base-Backbone interact. energy: -0.431 local terms energy: -405.420891 where: bonds (distance) C4'-P energy: -109.339 bonds (distance) P-C4' energy: -108.754 flat angles C4'-P-C4' energy: -114.766 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -4.309 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: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -667.370379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.370379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.370379 (E_RNA) where: Base-Base interactions energy: -321.334 where: short stacking energy: -191.641 Base-Backbone interact. energy: -1.451 local terms energy: -344.585098 where: bonds (distance) C4'-P energy: -116.046 bonds (distance) P-C4' energy: -107.498 flat angles C4'-P-C4' energy: -86.469 flat angles P-C4'-P energy: -48.094 tors. eta vs tors. theta energy: 13.523 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: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2350.551736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.551736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.551736 (E_RNA) where: Base-Base interactions energy: -1617.699 where: short stacking energy: -654.225 Base-Backbone interact. energy: -4.915 local terms energy: -727.938121 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -128.265 flat angles C4'-P-C4' energy: -154.779 flat angles P-C4'-P energy: -96.863 tors. eta vs tors. theta energy: -201.172 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: 1 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2323.124945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.124945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.124945 (E_RNA) where: Base-Base interactions energy: -1594.121 where: short stacking energy: -671.290 Base-Backbone interact. energy: -2.068 local terms energy: -726.935655 where: bonds (distance) C4'-P energy: -129.425 bonds (distance) P-C4' energy: -137.021 flat angles C4'-P-C4' energy: -145.160 flat angles P-C4'-P energy: -112.898 tors. eta vs tors. theta energy: -202.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2219.733990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.733990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.733990 (E_RNA) where: Base-Base interactions energy: -1528.999 where: short stacking energy: -668.489 Base-Backbone interact. energy: -3.502 local terms energy: -687.232560 where: bonds (distance) C4'-P energy: -122.625 bonds (distance) P-C4' energy: -118.525 flat angles C4'-P-C4' energy: -152.321 flat angles P-C4'-P energy: -85.991 tors. eta vs tors. theta energy: -207.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2099.186151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.186151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.186151 (E_RNA) where: Base-Base interactions energy: -1434.763 where: short stacking energy: -618.710 Base-Backbone interact. energy: -0.244 local terms energy: -664.178978 where: bonds (distance) C4'-P energy: -116.259 bonds (distance) P-C4' energy: -112.552 flat angles C4'-P-C4' energy: -147.952 flat angles P-C4'-P energy: -88.268 tors. eta vs tors. theta energy: -199.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1971.927719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.927719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.927719 (E_RNA) where: Base-Base interactions energy: -1331.051 where: short stacking energy: -596.454 Base-Backbone interact. energy: -0.724 local terms energy: -640.152488 where: bonds (distance) C4'-P energy: -114.255 bonds (distance) P-C4' energy: -127.226 flat angles C4'-P-C4' energy: -128.903 flat angles P-C4'-P energy: -85.120 tors. eta vs tors. theta energy: -184.649 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: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1727.359478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.359478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.359478 (E_RNA) where: Base-Base interactions energy: -1161.989 where: short stacking energy: -486.098 Base-Backbone interact. energy: 1.593 local terms energy: -566.963105 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -126.224 flat angles P-C4'-P energy: -78.452 tors. eta vs tors. theta energy: -129.956 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: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1526.140537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.140537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.140537 (E_RNA) where: Base-Base interactions energy: -989.282 where: short stacking energy: -446.842 Base-Backbone interact. energy: 1.821 local terms energy: -538.679197 where: bonds (distance) C4'-P energy: -122.475 bonds (distance) P-C4' energy: -105.449 flat angles C4'-P-C4' energy: -126.009 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -114.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1395.254133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.254133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.254133 (E_RNA) where: Base-Base interactions energy: -928.712 where: short stacking energy: -399.205 Base-Backbone interact. energy: 0.412 local terms energy: -466.953659 where: bonds (distance) C4'-P energy: -133.423 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -70.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -957.795475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.795475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.795475 (E_RNA) where: Base-Base interactions energy: -530.662 where: short stacking energy: -266.411 Base-Backbone interact. energy: 2.527 local terms energy: -429.660402 where: bonds (distance) C4'-P energy: -120.850 bonds (distance) P-C4' energy: -109.204 flat angles C4'-P-C4' energy: -106.041 flat angles P-C4'-P energy: -68.432 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: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -624.620886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.620886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.620886 (E_RNA) where: Base-Base interactions energy: -281.543 where: short stacking energy: -179.711 Base-Backbone interact. energy: 0.862 local terms energy: -343.940637 where: bonds (distance) C4'-P energy: -101.032 bonds (distance) P-C4' energy: -129.498 flat angles C4'-P-C4' energy: -76.089 flat angles P-C4'-P energy: -54.418 tors. eta vs tors. theta energy: 17.096 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: 398 Temperature: 0.900000 Total energy: -2374.292761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.292761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.292761 (E_RNA) where: Base-Base interactions energy: -1644.324 where: short stacking energy: -697.402 Base-Backbone interact. energy: -2.090 local terms energy: -727.878808 where: bonds (distance) C4'-P energy: -140.682 bonds (distance) P-C4' energy: -133.813 flat angles C4'-P-C4' energy: -143.137 flat angles P-C4'-P energy: -106.327 tors. eta vs tors. theta energy: -203.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2342.475223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.475223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.475223 (E_RNA) where: Base-Base interactions energy: -1622.885 where: short stacking energy: -653.062 Base-Backbone interact. energy: -1.514 local terms energy: -718.076184 where: bonds (distance) C4'-P energy: -146.735 bonds (distance) P-C4' energy: -131.182 flat angles C4'-P-C4' energy: -150.201 flat angles P-C4'-P energy: -90.003 tors. eta vs tors. theta energy: -199.956 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: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2250.716819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.716819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.716819 (E_RNA) where: Base-Base interactions energy: -1531.546 where: short stacking energy: -672.048 Base-Backbone interact. energy: -0.248 local terms energy: -718.922438 where: bonds (distance) C4'-P energy: -121.820 bonds (distance) P-C4' energy: -126.446 flat angles C4'-P-C4' energy: -153.660 flat angles P-C4'-P energy: -93.576 tors. eta vs tors. theta energy: -223.421 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: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2108.604499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.604499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.604499 (E_RNA) where: Base-Base interactions energy: -1436.928 where: short stacking energy: -639.079 Base-Backbone interact. energy: 2.103 local terms energy: -673.779097 where: bonds (distance) C4'-P energy: -123.640 bonds (distance) P-C4' energy: -119.923 flat angles C4'-P-C4' energy: -141.804 flat angles P-C4'-P energy: -104.475 tors. eta vs tors. theta energy: -183.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1945.558599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.558599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.558599 (E_RNA) where: Base-Base interactions energy: -1298.413 where: short stacking energy: -570.411 Base-Backbone interact. energy: -0.924 local terms energy: -646.221490 where: bonds (distance) C4'-P energy: -126.899 bonds (distance) P-C4' energy: -116.339 flat angles C4'-P-C4' energy: -137.180 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -174.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1804.409150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.409150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.409150 (E_RNA) where: Base-Base interactions energy: -1189.813 where: short stacking energy: -520.359 Base-Backbone interact. energy: -0.996 local terms energy: -613.600449 where: bonds (distance) C4'-P energy: -128.850 bonds (distance) P-C4' energy: -119.597 flat angles C4'-P-C4' energy: -139.096 flat angles P-C4'-P energy: -88.498 tors. eta vs tors. theta energy: -137.560 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: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1583.215419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.215419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.215419 (E_RNA) where: Base-Base interactions energy: -1020.899 where: short stacking energy: -445.732 Base-Backbone interact. energy: -3.116 local terms energy: -559.199620 where: bonds (distance) C4'-P energy: -112.597 bonds (distance) P-C4' energy: -126.059 flat angles C4'-P-C4' energy: -118.819 flat angles P-C4'-P energy: -72.634 tors. eta vs tors. theta energy: -129.091 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: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1345.062685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.062685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.062685 (E_RNA) where: Base-Base interactions energy: -860.215 where: short stacking energy: -374.632 Base-Backbone interact. energy: -2.902 local terms energy: -481.946134 where: bonds (distance) C4'-P energy: -111.688 bonds (distance) P-C4' energy: -124.687 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -75.408 tors. eta vs tors. theta energy: -74.746 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: 6 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1015.915686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.915686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.915686 (E_RNA) where: Base-Base interactions energy: -564.849 where: short stacking energy: -264.430 Base-Backbone interact. energy: -3.914 local terms energy: -447.153161 where: bonds (distance) C4'-P energy: -106.781 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -37.169 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: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -626.429380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.429380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.429380 (E_RNA) where: Base-Base interactions energy: -275.572 where: short stacking energy: -187.447 Base-Backbone interact. energy: 2.214 local terms energy: -353.070799 where: bonds (distance) C4'-P energy: -93.942 bonds (distance) P-C4' energy: -130.489 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -55.531 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2386.473232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.473232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.473232 (E_RNA) where: Base-Base interactions energy: -1643.936 where: short stacking energy: -698.365 Base-Backbone interact. energy: -1.339 local terms energy: -741.198902 where: bonds (distance) C4'-P energy: -136.523 bonds (distance) P-C4' energy: -126.651 flat angles C4'-P-C4' energy: -158.037 flat angles P-C4'-P energy: -107.425 tors. eta vs tors. theta energy: -212.563 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: 2, replica: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2310.577087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.577087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.577087 (E_RNA) where: Base-Base interactions energy: -1601.208 where: short stacking energy: -672.281 Base-Backbone interact. energy: -2.231 local terms energy: -707.138167 where: bonds (distance) C4'-P energy: -126.112 bonds (distance) P-C4' energy: -137.659 flat angles C4'-P-C4' energy: -158.408 flat angles P-C4'-P energy: -85.625 tors. eta vs tors. theta energy: -199.334 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: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2261.722142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.722142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.722142 (E_RNA) where: Base-Base interactions energy: -1518.671 where: short stacking energy: -674.170 Base-Backbone interact. energy: -2.595 local terms energy: -740.456843 where: bonds (distance) C4'-P energy: -135.394 bonds (distance) P-C4' energy: -128.156 flat angles C4'-P-C4' energy: -149.229 flat angles P-C4'-P energy: -105.759 tors. eta vs tors. theta energy: -221.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2131.507635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.507635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.507635 (E_RNA) where: Base-Base interactions energy: -1468.241 where: short stacking energy: -613.822 Base-Backbone interact. energy: -6.377 local terms energy: -656.889180 where: bonds (distance) C4'-P energy: -132.390 bonds (distance) P-C4' energy: -126.250 flat angles C4'-P-C4' energy: -131.842 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -184.525 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: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1875.784080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.784080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.784080 (E_RNA) where: Base-Base interactions energy: -1263.721 where: short stacking energy: -551.205 Base-Backbone interact. energy: -2.534 local terms energy: -609.528558 where: bonds (distance) C4'-P energy: -126.103 bonds (distance) P-C4' energy: -114.587 flat angles C4'-P-C4' energy: -131.307 flat angles P-C4'-P energy: -80.564 tors. eta vs tors. theta energy: -156.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1795.761983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.761983 (E_RNA) where: Base-Base interactions energy: -1209.189 where: short stacking energy: -521.447 Base-Backbone interact. energy: -1.874 local terms energy: -584.699050 where: bonds (distance) C4'-P energy: -107.570 bonds (distance) P-C4' energy: -105.209 flat angles C4'-P-C4' energy: -128.807 flat angles P-C4'-P energy: -99.386 tors. eta vs tors. theta energy: -143.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1550.084003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.084003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.084003 (E_RNA) where: Base-Base interactions energy: -1018.321 where: short stacking energy: -423.948 Base-Backbone interact. energy: 5.431 local terms energy: -537.193341 where: bonds (distance) C4'-P energy: -115.171 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -115.275 flat angles P-C4'-P energy: -82.371 tors. eta vs tors. theta energy: -106.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1344.650349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.650349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.650349 (E_RNA) where: Base-Base interactions energy: -854.987 where: short stacking energy: -378.712 Base-Backbone interact. energy: -2.446 local terms energy: -487.217223 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -119.968 flat angles C4'-P-C4' energy: -126.378 flat angles P-C4'-P energy: -56.956 tors. eta vs tors. theta energy: -82.082 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: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -989.397711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.397711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.397711 (E_RNA) where: Base-Base interactions energy: -567.909 where: short stacking energy: -294.028 Base-Backbone interact. energy: 1.717 local terms energy: -423.205462 where: bonds (distance) C4'-P energy: -113.453 bonds (distance) P-C4' energy: -129.660 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: -22.602 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: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -616.755384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.755384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.755384 (E_RNA) where: Base-Base interactions energy: -269.406 where: short stacking energy: -175.544 Base-Backbone interact. energy: -4.104 local terms energy: -343.244770 where: bonds (distance) C4'-P energy: -108.625 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -84.510 flat angles P-C4'-P energy: -56.379 tors. eta vs tors. theta energy: 17.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2406.158494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.158494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.158494 (E_RNA) where: Base-Base interactions energy: -1639.255 where: short stacking energy: -693.789 Base-Backbone interact. energy: -2.604 local terms energy: -764.299521 where: bonds (distance) C4'-P energy: -135.086 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -162.372 flat angles P-C4'-P energy: -110.616 tors. eta vs tors. theta energy: -219.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2323.567027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.567027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.567027 (E_RNA) where: Base-Base interactions energy: -1612.807 where: short stacking energy: -660.287 Base-Backbone interact. energy: -0.030 local terms energy: -710.730316 where: bonds (distance) C4'-P energy: -125.048 bonds (distance) P-C4' energy: -135.684 flat angles C4'-P-C4' energy: -154.906 flat angles P-C4'-P energy: -105.092 tors. eta vs tors. theta energy: -189.999 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: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2262.881523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.881523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.881523 (E_RNA) where: Base-Base interactions energy: -1550.033 where: short stacking energy: -684.850 Base-Backbone interact. energy: -2.890 local terms energy: -709.958013 where: bonds (distance) C4'-P energy: -122.919 bonds (distance) P-C4' energy: -114.026 flat angles C4'-P-C4' energy: -146.164 flat angles P-C4'-P energy: -108.192 tors. eta vs tors. theta energy: -218.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2135.852989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.852989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.852989 (E_RNA) where: Base-Base interactions energy: -1474.391 where: short stacking energy: -636.335 Base-Backbone interact. energy: -1.792 local terms energy: -659.670122 where: bonds (distance) C4'-P energy: -123.274 bonds (distance) P-C4' energy: -112.198 flat angles C4'-P-C4' energy: -136.958 flat angles P-C4'-P energy: -96.504 tors. eta vs tors. theta energy: -190.736 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: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1951.023792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.023792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.023792 (E_RNA) where: Base-Base interactions energy: -1326.066 where: short stacking energy: -593.443 Base-Backbone interact. energy: -2.513 local terms energy: -622.444758 where: bonds (distance) C4'-P energy: -118.163 bonds (distance) P-C4' energy: -104.788 flat angles C4'-P-C4' energy: -134.760 flat angles P-C4'-P energy: -87.582 tors. eta vs tors. theta energy: -177.152 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: 400 Temperature: 1.150000 Total energy: -1832.020874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.020874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.020874 (E_RNA) where: Base-Base interactions energy: -1241.682 where: short stacking energy: -539.356 Base-Backbone interact. energy: -0.276 local terms energy: -590.063050 where: bonds (distance) C4'-P energy: -99.830 bonds (distance) P-C4' energy: -108.446 flat angles C4'-P-C4' energy: -143.350 flat angles P-C4'-P energy: -88.978 tors. eta vs tors. theta energy: -149.459 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: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1433.202638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.202638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.202638 (E_RNA) where: Base-Base interactions energy: -909.190 where: short stacking energy: -411.730 Base-Backbone interact. energy: -1.379 local terms energy: -522.634045 where: bonds (distance) C4'-P energy: -120.135 bonds (distance) P-C4' energy: -121.481 flat angles C4'-P-C4' energy: -111.358 flat angles P-C4'-P energy: -78.531 tors. eta vs tors. theta energy: -91.129 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: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1308.083417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.083417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.083417 (E_RNA) where: Base-Base interactions energy: -840.904 where: short stacking energy: -356.969 Base-Backbone interact. energy: 4.203 local terms energy: -471.381998 where: bonds (distance) C4'-P energy: -111.860 bonds (distance) P-C4' energy: -108.268 flat angles C4'-P-C4' energy: -115.501 flat angles P-C4'-P energy: -66.814 tors. eta vs tors. theta energy: -68.939 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: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -960.414123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.414123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.414123 (E_RNA) where: Base-Base interactions energy: -545.950 where: short stacking energy: -275.541 Base-Backbone interact. energy: -1.763 local terms energy: -412.701060 where: bonds (distance) C4'-P energy: -106.577 bonds (distance) P-C4' energy: -95.899 flat angles C4'-P-C4' energy: -107.715 flat angles P-C4'-P energy: -56.313 tors. eta vs tors. theta energy: -46.197 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: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -638.566765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.566765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.566765 (E_RNA) where: Base-Base interactions energy: -284.210 where: short stacking energy: -175.505 Base-Backbone interact. energy: 0.979 local terms energy: -355.335753 where: bonds (distance) C4'-P energy: -110.449 bonds (distance) P-C4' energy: -103.673 flat angles C4'-P-C4' energy: -94.849 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: 5.749 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: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2378.719482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.719482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.719482 (E_RNA) where: Base-Base interactions energy: -1627.725 where: short stacking energy: -693.936 Base-Backbone interact. energy: -2.955 local terms energy: -748.039637 where: bonds (distance) C4'-P energy: -144.352 bonds (distance) P-C4' energy: -134.204 flat angles C4'-P-C4' energy: -153.977 flat angles P-C4'-P energy: -99.658 tors. eta vs tors. theta energy: -215.849 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: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2317.921096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.921096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.921096 (E_RNA) where: Base-Base interactions energy: -1626.454 where: short stacking energy: -674.967 Base-Backbone interact. energy: -4.246 local terms energy: -687.220472 where: bonds (distance) C4'-P energy: -122.966 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -146.502 flat angles P-C4'-P energy: -110.390 tors. eta vs tors. theta energy: -199.413 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: 2 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2238.031371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.031371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.031371 (E_RNA) where: Base-Base interactions energy: -1544.585 where: short stacking energy: -671.102 Base-Backbone interact. energy: -2.980 local terms energy: -690.466042 where: bonds (distance) C4'-P energy: -123.222 bonds (distance) P-C4' energy: -122.663 flat angles C4'-P-C4' energy: -148.028 flat angles P-C4'-P energy: -87.477 tors. eta vs tors. theta energy: -209.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2107.661259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.661259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.661259 (E_RNA) where: Base-Base interactions energy: -1450.498 where: short stacking energy: -595.430 Base-Backbone interact. energy: -3.803 local terms energy: -653.360082 where: bonds (distance) C4'-P energy: -122.596 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -141.764 flat angles P-C4'-P energy: -80.004 tors. eta vs tors. theta energy: -176.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1956.865113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.865113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.865113 (E_RNA) where: Base-Base interactions energy: -1328.806 where: short stacking energy: -594.151 Base-Backbone interact. energy: -0.773 local terms energy: -627.286374 where: bonds (distance) C4'-P energy: -114.193 bonds (distance) P-C4' energy: -116.756 flat angles C4'-P-C4' energy: -133.323 flat angles P-C4'-P energy: -83.090 tors. eta vs tors. theta energy: -179.925 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1810.890623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.890623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.890623 (E_RNA) where: Base-Base interactions energy: -1221.310 where: short stacking energy: -507.636 Base-Backbone interact. energy: -1.990 local terms energy: -587.590233 where: bonds (distance) C4'-P energy: -108.071 bonds (distance) P-C4' energy: -124.029 flat angles C4'-P-C4' energy: -127.063 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -142.226 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: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1543.778912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.778912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.778912 (E_RNA) where: Base-Base interactions energy: -1000.753 where: short stacking energy: -423.184 Base-Backbone interact. energy: -3.374 local terms energy: -539.652452 where: bonds (distance) C4'-P energy: -100.281 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -118.799 flat angles P-C4'-P energy: -86.450 tors. eta vs tors. theta energy: -106.911 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: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1392.211415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.211415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.211415 (E_RNA) where: Base-Base interactions energy: -904.477 where: short stacking energy: -419.519 Base-Backbone interact. energy: -2.157 local terms energy: -485.577177 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -109.434 flat angles C4'-P-C4' energy: -110.567 flat angles P-C4'-P energy: -67.422 tors. eta vs tors. theta energy: -94.576 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: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -990.185391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.185391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.185391 (E_RNA) where: Base-Base interactions energy: -589.764 where: short stacking energy: -287.731 Base-Backbone interact. energy: 4.804 local terms energy: -405.224844 where: bonds (distance) C4'-P energy: -101.149 bonds (distance) P-C4' energy: -109.454 flat angles C4'-P-C4' energy: -95.207 flat angles P-C4'-P energy: -72.119 tors. eta vs tors. theta energy: -27.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -640.531351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.531351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.531351 (E_RNA) where: Base-Base interactions energy: -301.155 where: short stacking energy: -196.076 Base-Backbone interact. energy: -2.404 local terms energy: -336.972083 where: bonds (distance) C4'-P energy: -102.579 bonds (distance) P-C4' energy: -103.411 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -60.281 tors. eta vs tors. theta energy: 14.734 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: 402 Temperature: 0.900000 Total energy: -2367.788008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.788008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.788008 (E_RNA) where: Base-Base interactions energy: -1652.691 where: short stacking energy: -682.111 Base-Backbone interact. energy: -2.563 local terms energy: -712.534639 where: bonds (distance) C4'-P energy: -116.569 bonds (distance) P-C4' energy: -137.916 flat angles C4'-P-C4' energy: -148.999 flat angles P-C4'-P energy: -107.683 tors. eta vs tors. theta energy: -201.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2309.505318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.505318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.505318 (E_RNA) where: Base-Base interactions energy: -1621.922 where: short stacking energy: -653.275 Base-Backbone interact. energy: -2.316 local terms energy: -685.267152 where: bonds (distance) C4'-P energy: -125.703 bonds (distance) P-C4' energy: -130.893 flat angles C4'-P-C4' energy: -132.650 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -195.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2252.169575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.169575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.169575 (E_RNA) where: Base-Base interactions energy: -1535.095 where: short stacking energy: -695.876 Base-Backbone interact. energy: -1.449 local terms energy: -715.625328 where: bonds (distance) C4'-P energy: -114.810 bonds (distance) P-C4' energy: -130.660 flat angles C4'-P-C4' energy: -155.754 flat angles P-C4'-P energy: -95.626 tors. eta vs tors. theta energy: -218.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2131.763669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.763669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.763669 (E_RNA) where: Base-Base interactions energy: -1473.168 where: short stacking energy: -616.426 Base-Backbone interact. energy: -3.884 local terms energy: -654.712190 where: bonds (distance) C4'-P energy: -112.998 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -136.966 flat angles P-C4'-P energy: -92.169 tors. eta vs tors. theta energy: -180.904 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: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1923.410190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.410190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.410190 (E_RNA) where: Base-Base interactions energy: -1307.933 where: short stacking energy: -567.424 Base-Backbone interact. energy: -1.874 local terms energy: -613.603700 where: bonds (distance) C4'-P energy: -114.860 bonds (distance) P-C4' energy: -131.815 flat angles C4'-P-C4' energy: -128.904 flat angles P-C4'-P energy: -69.575 tors. eta vs tors. theta energy: -168.450 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: 6, replica: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1800.661994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.661994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.661994 (E_RNA) where: Base-Base interactions energy: -1242.634 where: short stacking energy: -498.767 Base-Backbone interact. energy: -0.402 local terms energy: -557.625666 where: bonds (distance) C4'-P energy: -114.280 bonds (distance) P-C4' energy: -101.006 flat angles C4'-P-C4' energy: -131.525 flat angles P-C4'-P energy: -78.615 tors. eta vs tors. theta energy: -132.200 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: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1493.169547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.169547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.169547 (E_RNA) where: Base-Base interactions energy: -965.206 where: short stacking energy: -432.827 Base-Backbone interact. energy: 5.153 local terms energy: -533.116666 where: bonds (distance) C4'-P energy: -114.363 bonds (distance) P-C4' energy: -104.864 flat angles C4'-P-C4' energy: -129.657 flat angles P-C4'-P energy: -70.061 tors. eta vs tors. theta energy: -114.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1450.871588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.871588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.871588 (E_RNA) where: Base-Base interactions energy: -957.662 where: short stacking energy: -403.693 Base-Backbone interact. energy: 1.271 local terms energy: -494.480603 where: bonds (distance) C4'-P energy: -108.906 bonds (distance) P-C4' energy: -126.254 flat angles C4'-P-C4' energy: -94.069 flat angles P-C4'-P energy: -78.183 tors. eta vs tors. theta energy: -87.068 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: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1023.625015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.625015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.625015 (E_RNA) where: Base-Base interactions energy: -587.029 where: short stacking energy: -285.374 Base-Backbone interact. energy: 6.047 local terms energy: -442.642371 where: bonds (distance) C4'-P energy: -124.268 bonds (distance) P-C4' energy: -106.382 flat angles C4'-P-C4' energy: -93.004 flat angles P-C4'-P energy: -68.108 tors. eta vs tors. theta energy: -50.881 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: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -600.728617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.728617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.728617 (E_RNA) where: Base-Base interactions energy: -255.387 where: short stacking energy: -147.766 Base-Backbone interact. energy: -0.490 local terms energy: -344.851554 where: bonds (distance) C4'-P energy: -101.713 bonds (distance) P-C4' energy: -105.582 flat angles C4'-P-C4' energy: -99.234 flat angles P-C4'-P energy: -62.266 tors. eta vs tors. theta energy: 23.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2395.742389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.742389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.742389 (E_RNA) where: Base-Base interactions energy: -1667.075 where: short stacking energy: -703.282 Base-Backbone interact. energy: -3.624 local terms energy: -725.043359 where: bonds (distance) C4'-P energy: -134.225 bonds (distance) P-C4' energy: -129.210 flat angles C4'-P-C4' energy: -150.911 flat angles P-C4'-P energy: -98.300 tors. eta vs tors. theta energy: -212.398 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: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2312.766545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.766545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.766545 (E_RNA) where: Base-Base interactions energy: -1595.962 where: short stacking energy: -660.829 Base-Backbone interact. energy: 2.610 local terms energy: -719.415174 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -137.884 flat angles C4'-P-C4' energy: -156.633 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -202.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2210.818239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.818239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.818239 (E_RNA) where: Base-Base interactions energy: -1525.604 where: short stacking energy: -670.076 Base-Backbone interact. energy: -3.185 local terms energy: -682.028609 where: bonds (distance) C4'-P energy: -117.970 bonds (distance) P-C4' energy: -122.290 flat angles C4'-P-C4' energy: -138.418 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -205.800 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: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2089.543100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.543100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.543100 (E_RNA) where: Base-Base interactions energy: -1411.728 where: short stacking energy: -597.221 Base-Backbone interact. energy: -2.648 local terms energy: -675.167209 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -130.400 flat angles C4'-P-C4' energy: -142.181 flat angles P-C4'-P energy: -96.808 tors. eta vs tors. theta energy: -185.462 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: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1914.238521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.238521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.238521 (E_RNA) where: Base-Base interactions energy: -1269.538 where: short stacking energy: -547.685 Base-Backbone interact. energy: -2.491 local terms energy: -642.209432 where: bonds (distance) C4'-P energy: -112.583 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -152.694 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -162.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1814.416780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.416780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.416780 (E_RNA) where: Base-Base interactions energy: -1217.828 where: short stacking energy: -512.612 Base-Backbone interact. energy: -1.839 local terms energy: -594.749751 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -110.153 flat angles C4'-P-C4' energy: -127.735 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -146.659 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: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1466.799914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.799914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.799914 (E_RNA) where: Base-Base interactions energy: -921.445 where: short stacking energy: -406.136 Base-Backbone interact. energy: -2.790 local terms energy: -542.565086 where: bonds (distance) C4'-P energy: -114.265 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -126.561 flat angles P-C4'-P energy: -85.539 tors. eta vs tors. theta energy: -92.212 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: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1445.511491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.511491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.511491 (E_RNA) where: Base-Base interactions energy: -924.151 where: short stacking energy: -406.679 Base-Backbone interact. energy: -4.694 local terms energy: -516.666294 where: bonds (distance) C4'-P energy: -110.200 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -120.826 flat angles P-C4'-P energy: -84.322 tors. eta vs tors. theta energy: -95.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -886.053330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.053330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.053330 (E_RNA) where: Base-Base interactions energy: -481.755 where: short stacking energy: -246.817 Base-Backbone interact. energy: -3.062 local terms energy: -401.236455 where: bonds (distance) C4'-P energy: -107.944 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -73.155 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -30.922 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: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -619.120862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.120862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.120862 (E_RNA) where: Base-Base interactions energy: -300.161 where: short stacking energy: -188.676 Base-Backbone interact. energy: 8.868 local terms energy: -327.827389 where: bonds (distance) C4'-P energy: -83.154 bonds (distance) P-C4' energy: -98.953 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -59.817 tors. eta vs tors. theta energy: -0.390 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: 404 Temperature: 0.900000 Total energy: -2393.601713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.601713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.601713 (E_RNA) where: Base-Base interactions energy: -1649.531 where: short stacking energy: -707.056 Base-Backbone interact. energy: -3.019 local terms energy: -741.051546 where: bonds (distance) C4'-P energy: -130.632 bonds (distance) P-C4' energy: -143.590 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -99.463 tors. eta vs tors. theta energy: -215.132 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: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2325.776661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.776661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.776661 (E_RNA) where: Base-Base interactions energy: -1613.588 where: short stacking energy: -663.632 Base-Backbone interact. energy: -1.708 local terms energy: -710.480084 where: bonds (distance) C4'-P energy: -123.337 bonds (distance) P-C4' energy: -139.272 flat angles C4'-P-C4' energy: -151.886 flat angles P-C4'-P energy: -94.056 tors. eta vs tors. theta energy: -201.930 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: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2208.242350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.242350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.242350 (E_RNA) where: Base-Base interactions energy: -1509.969 where: short stacking energy: -684.824 Base-Backbone interact. energy: -2.625 local terms energy: -695.648625 where: bonds (distance) C4'-P energy: -108.105 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -156.438 flat angles P-C4'-P energy: -96.230 tors. eta vs tors. theta energy: -209.134 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: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2106.798444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.798444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.798444 (E_RNA) where: Base-Base interactions energy: -1478.638 where: short stacking energy: -615.636 Base-Backbone interact. energy: 0.875 local terms energy: -629.034988 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -114.378 flat angles C4'-P-C4' energy: -126.178 flat angles P-C4'-P energy: -96.044 tors. eta vs tors. theta energy: -187.215 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: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1877.893246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.893246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.893246 (E_RNA) where: Base-Base interactions energy: -1247.226 where: short stacking energy: -546.645 Base-Backbone interact. energy: -0.017 local terms energy: -630.650281 where: bonds (distance) C4'-P energy: -131.320 bonds (distance) P-C4' energy: -115.643 flat angles C4'-P-C4' energy: -124.113 flat angles P-C4'-P energy: -95.241 tors. eta vs tors. theta energy: -164.334 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: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1859.719058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.719058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.719058 (E_RNA) where: Base-Base interactions energy: -1252.689 where: short stacking energy: -538.787 Base-Backbone interact. energy: -2.522 local terms energy: -604.508175 where: bonds (distance) C4'-P energy: -118.109 bonds (distance) P-C4' energy: -121.995 flat angles C4'-P-C4' energy: -129.550 flat angles P-C4'-P energy: -90.205 tors. eta vs tors. theta energy: -144.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1489.372442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.372442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.372442 (E_RNA) where: Base-Base interactions energy: -965.125 where: short stacking energy: -431.972 Base-Backbone interact. energy: -1.512 local terms energy: -522.735458 where: bonds (distance) C4'-P energy: -105.413 bonds (distance) P-C4' energy: -113.473 flat angles C4'-P-C4' energy: -131.368 flat angles P-C4'-P energy: -84.057 tors. eta vs tors. theta energy: -88.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1403.233614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.233614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.233614 (E_RNA) where: Base-Base interactions energy: -893.984 where: short stacking energy: -394.406 Base-Backbone interact. energy: 2.256 local terms energy: -511.505748 where: bonds (distance) C4'-P energy: -104.108 bonds (distance) P-C4' energy: -127.054 flat angles C4'-P-C4' energy: -106.268 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -93.628 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: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -859.841531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.841531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.841531 (E_RNA) where: Base-Base interactions energy: -471.736 where: short stacking energy: -250.503 Base-Backbone interact. energy: -1.525 local terms energy: -386.580854 where: bonds (distance) C4'-P energy: -97.515 bonds (distance) P-C4' energy: -121.153 flat angles C4'-P-C4' energy: -103.410 flat angles P-C4'-P energy: -45.843 tors. eta vs tors. theta energy: -18.660 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: 10, replica: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -632.279666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.279666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.279666 (E_RNA) where: Base-Base interactions energy: -277.384 where: short stacking energy: -182.865 Base-Backbone interact. energy: 4.688 local terms energy: -359.583660 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -97.569 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: 9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2366.583389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.583389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.583389 (E_RNA) where: Base-Base interactions energy: -1674.412 where: short stacking energy: -699.556 Base-Backbone interact. energy: 1.862 local terms energy: -694.033345 where: bonds (distance) C4'-P energy: -110.484 bonds (distance) P-C4' energy: -134.950 flat angles C4'-P-C4' energy: -150.512 flat angles P-C4'-P energy: -91.956 tors. eta vs tors. theta energy: -206.131 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: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2330.130860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.130860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.130860 (E_RNA) where: Base-Base interactions energy: -1591.437 where: short stacking energy: -671.278 Base-Backbone interact. energy: -2.571 local terms energy: -736.122981 where: bonds (distance) C4'-P energy: -128.042 bonds (distance) P-C4' energy: -133.143 flat angles C4'-P-C4' energy: -162.463 flat angles P-C4'-P energy: -107.107 tors. eta vs tors. theta energy: -205.368 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: 3, replica: 2 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2217.951907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.951907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.951907 (E_RNA) where: Base-Base interactions energy: -1536.030 where: short stacking energy: -679.853 Base-Backbone interact. energy: -3.002 local terms energy: -678.920483 where: bonds (distance) C4'-P energy: -119.809 bonds (distance) P-C4' energy: -117.955 flat angles C4'-P-C4' energy: -144.196 flat angles P-C4'-P energy: -91.180 tors. eta vs tors. theta energy: -205.781 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: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2089.101880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.101880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.101880 (E_RNA) where: Base-Base interactions energy: -1412.085 where: short stacking energy: -607.971 Base-Backbone interact. energy: -2.429 local terms energy: -674.588043 where: bonds (distance) C4'-P energy: -131.166 bonds (distance) P-C4' energy: -128.305 flat angles C4'-P-C4' energy: -143.136 flat angles P-C4'-P energy: -90.490 tors. eta vs tors. theta energy: -181.491 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: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1967.030900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.030900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.030900 (E_RNA) where: Base-Base interactions energy: -1346.439 where: short stacking energy: -582.231 Base-Backbone interact. energy: -1.224 local terms energy: -619.367780 where: bonds (distance) C4'-P energy: -104.640 bonds (distance) P-C4' energy: -122.385 flat angles C4'-P-C4' energy: -141.560 flat angles P-C4'-P energy: -85.138 tors. eta vs tors. theta energy: -165.644 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: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1854.262576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.262576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.262576 (E_RNA) where: Base-Base interactions energy: -1253.837 where: short stacking energy: -555.076 Base-Backbone interact. energy: -1.720 local terms energy: -598.705750 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -116.880 flat angles C4'-P-C4' energy: -134.446 flat angles P-C4'-P energy: -85.206 tors. eta vs tors. theta energy: -156.188 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: 405 Temperature: 1.200000 Total energy: -1499.244788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.244788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.244788 (E_RNA) where: Base-Base interactions energy: -972.611 where: short stacking energy: -449.087 Base-Backbone interact. energy: -2.265 local terms energy: -524.368159 where: bonds (distance) C4'-P energy: -119.089 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -104.499 flat angles P-C4'-P energy: -82.661 tors. eta vs tors. theta energy: -98.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1396.659976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.659976 (E_RNA) where: Base-Base interactions energy: -915.131 where: short stacking energy: -412.794 Base-Backbone interact. energy: 4.045 local terms energy: -485.573663 where: bonds (distance) C4'-P energy: -128.757 bonds (distance) P-C4' energy: -109.654 flat angles C4'-P-C4' energy: -104.708 flat angles P-C4'-P energy: -65.208 tors. eta vs tors. theta energy: -77.246 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -912.886526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.886526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.886526 (E_RNA) where: Base-Base interactions energy: -519.367 where: short stacking energy: -280.877 Base-Backbone interact. energy: 6.443 local terms energy: -399.962503 where: bonds (distance) C4'-P energy: -91.070 bonds (distance) P-C4' energy: -114.274 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -65.070 tors. eta vs tors. theta energy: -26.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -638.221343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.221343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.221343 (E_RNA) where: Base-Base interactions energy: -306.600 where: short stacking energy: -217.728 Base-Backbone interact. energy: -0.432 local terms energy: -331.189147 where: bonds (distance) C4'-P energy: -97.406 bonds (distance) P-C4' energy: -99.544 flat angles C4'-P-C4' energy: -92.833 flat angles P-C4'-P energy: -49.541 tors. eta vs tors. theta energy: 8.135 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: 406 Temperature: 0.900000 Total energy: -2380.882887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.882887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.882887 (E_RNA) where: Base-Base interactions energy: -1653.033 where: short stacking energy: -677.964 Base-Backbone interact. energy: -3.242 local terms energy: -724.608021 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -130.824 flat angles C4'-P-C4' energy: -159.123 flat angles P-C4'-P energy: -95.171 tors. eta vs tors. theta energy: -202.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2328.243158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.243158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.243158 (E_RNA) where: Base-Base interactions energy: -1618.425 where: short stacking energy: -681.703 Base-Backbone interact. energy: -0.665 local terms energy: -709.152962 where: bonds (distance) C4'-P energy: -136.705 bonds (distance) P-C4' energy: -118.034 flat angles C4'-P-C4' energy: -156.509 flat angles P-C4'-P energy: -99.022 tors. eta vs tors. theta energy: -198.883 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: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2203.764747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.764747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.764747 (E_RNA) where: Base-Base interactions energy: -1532.959 where: short stacking energy: -651.921 Base-Backbone interact. energy: -2.141 local terms energy: -668.664677 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -118.201 flat angles C4'-P-C4' energy: -140.810 flat angles P-C4'-P energy: -101.384 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2130.943323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.943323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.943323 (E_RNA) where: Base-Base interactions energy: -1465.866 where: short stacking energy: -607.241 Base-Backbone interact. energy: -3.060 local terms energy: -662.017198 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -151.537 flat angles P-C4'-P energy: -84.281 tors. eta vs tors. theta energy: -191.942 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: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1972.855164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.855164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.855164 (E_RNA) where: Base-Base interactions energy: -1341.471 where: short stacking energy: -579.485 Base-Backbone interact. energy: -1.022 local terms energy: -630.361751 where: bonds (distance) C4'-P energy: -109.760 bonds (distance) P-C4' energy: -131.670 flat angles C4'-P-C4' energy: -130.683 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -162.913 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: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1863.989289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.989289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.989289 (E_RNA) where: Base-Base interactions energy: -1253.073 where: short stacking energy: -532.630 Base-Backbone interact. energy: -0.127 local terms energy: -610.788578 where: bonds (distance) C4'-P energy: -117.280 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -141.507 flat angles P-C4'-P energy: -90.957 tors. eta vs tors. theta energy: -143.882 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: 7, replica: 9 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1515.790077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.790077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.790077 (E_RNA) where: Base-Base interactions energy: -978.883 where: short stacking energy: -456.325 Base-Backbone interact. energy: -6.520 local terms energy: -530.386978 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -121.671 flat angles C4'-P-C4' energy: -121.252 flat angles P-C4'-P energy: -78.387 tors. eta vs tors. theta energy: -91.908 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: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1378.646427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.646427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.646427 (E_RNA) where: Base-Base interactions energy: -883.613 where: short stacking energy: -416.892 Base-Backbone interact. energy: -2.593 local terms energy: -492.439838 where: bonds (distance) C4'-P energy: -87.442 bonds (distance) P-C4' energy: -121.535 flat angles C4'-P-C4' energy: -107.758 flat angles P-C4'-P energy: -77.363 tors. eta vs tors. theta energy: -98.343 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: 6 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -899.495340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.495340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.495340 (E_RNA) where: Base-Base interactions energy: -488.017 where: short stacking energy: -246.967 Base-Backbone interact. energy: 2.910 local terms energy: -414.388258 where: bonds (distance) C4'-P energy: -118.526 bonds (distance) P-C4' energy: -116.071 flat angles C4'-P-C4' energy: -103.689 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -15.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -692.011259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.011259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.011259 (E_RNA) where: Base-Base interactions energy: -303.567 where: short stacking energy: -181.598 Base-Backbone interact. energy: -1.005 local terms energy: -387.439302 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -101.648 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: 0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2389.802783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.802783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.802783 (E_RNA) where: Base-Base interactions energy: -1664.661 where: short stacking energy: -693.660 Base-Backbone interact. energy: -4.125 local terms energy: -721.016936 where: bonds (distance) C4'-P energy: -124.718 bonds (distance) P-C4' energy: -134.702 flat angles C4'-P-C4' energy: -148.896 flat angles P-C4'-P energy: -101.675 tors. eta vs tors. theta energy: -211.026 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: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2302.492933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.492933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.492933 (E_RNA) where: Base-Base interactions energy: -1614.642 where: short stacking energy: -688.194 Base-Backbone interact. energy: -0.686 local terms energy: -687.165349 where: bonds (distance) C4'-P energy: -108.615 bonds (distance) P-C4' energy: -132.208 flat angles C4'-P-C4' energy: -154.389 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -202.347 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: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2172.308341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.308341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.308341 (E_RNA) where: Base-Base interactions energy: -1468.493 where: short stacking energy: -623.923 Base-Backbone interact. energy: -5.281 local terms energy: -698.534036 where: bonds (distance) C4'-P energy: -132.986 bonds (distance) P-C4' energy: -126.303 flat angles C4'-P-C4' energy: -145.151 flat angles P-C4'-P energy: -98.852 tors. eta vs tors. theta energy: -195.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2153.554350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.554350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.554350 (E_RNA) where: Base-Base interactions energy: -1479.114 where: short stacking energy: -615.337 Base-Backbone interact. energy: -3.806 local terms energy: -670.634144 where: bonds (distance) C4'-P energy: -115.357 bonds (distance) P-C4' energy: -120.381 flat angles C4'-P-C4' energy: -149.132 flat angles P-C4'-P energy: -98.836 tors. eta vs tors. theta energy: -186.928 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: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1932.875508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.875508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.875508 (E_RNA) where: Base-Base interactions energy: -1325.317 where: short stacking energy: -570.298 Base-Backbone interact. energy: -1.012 local terms energy: -606.547196 where: bonds (distance) C4'-P energy: -86.826 bonds (distance) P-C4' energy: -128.284 flat angles C4'-P-C4' energy: -132.663 flat angles P-C4'-P energy: -95.124 tors. eta vs tors. theta energy: -163.650 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: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1808.462568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.462568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.462568 (E_RNA) where: Base-Base interactions energy: -1202.192 where: short stacking energy: -510.605 Base-Backbone interact. energy: -2.463 local terms energy: -603.807425 where: bonds (distance) C4'-P energy: -130.523 bonds (distance) P-C4' energy: -122.866 flat angles C4'-P-C4' energy: -124.768 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -157.597 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: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1568.607527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.607527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.607527 (E_RNA) where: Base-Base interactions energy: -1042.729 where: short stacking energy: -435.514 Base-Backbone interact. energy: -2.631 local terms energy: -523.247642 where: bonds (distance) C4'-P energy: -107.545 bonds (distance) P-C4' energy: -101.304 flat angles C4'-P-C4' energy: -123.233 flat angles P-C4'-P energy: -80.890 tors. eta vs tors. theta energy: -110.275 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: 3 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1344.552476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.552476 (E_RNA) where: Base-Base interactions energy: -853.543 where: short stacking energy: -383.415 Base-Backbone interact. energy: 6.218 local terms energy: -497.226866 where: bonds (distance) C4'-P energy: -116.065 bonds (distance) P-C4' energy: -105.377 flat angles C4'-P-C4' energy: -125.973 flat angles P-C4'-P energy: -67.899 tors. eta vs tors. theta energy: -81.913 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: 9, replica: 6 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -952.963651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.963651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.963651 (E_RNA) where: Base-Base interactions energy: -543.400 where: short stacking energy: -253.845 Base-Backbone interact. energy: 0.293 local terms energy: -409.856509 where: bonds (distance) C4'-P energy: -107.607 bonds (distance) P-C4' energy: -107.957 flat angles C4'-P-C4' energy: -118.561 flat angles P-C4'-P energy: -57.485 tors. eta vs tors. theta energy: -18.247 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: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -611.185983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.185983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.185983 (E_RNA) where: Base-Base interactions energy: -276.629 where: short stacking energy: -180.547 Base-Backbone interact. energy: 6.783 local terms energy: -341.339286 where: bonds (distance) C4'-P energy: -94.372 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -68.655 tors. eta vs tors. theta energy: 8.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2375.657028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.657028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.657028 (E_RNA) where: Base-Base interactions energy: -1663.911 where: short stacking energy: -688.288 Base-Backbone interact. energy: -2.979 local terms energy: -708.767188 where: bonds (distance) C4'-P energy: -115.208 bonds (distance) P-C4' energy: -130.935 flat angles C4'-P-C4' energy: -165.928 flat angles P-C4'-P energy: -106.258 tors. eta vs tors. theta energy: -190.438 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: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2344.630988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.630988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.630988 (E_RNA) where: Base-Base interactions energy: -1617.192 where: short stacking energy: -678.864 Base-Backbone interact. energy: -2.320 local terms energy: -725.119168 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -119.964 flat angles C4'-P-C4' energy: -155.573 flat angles P-C4'-P energy: -106.368 tors. eta vs tors. theta energy: -207.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2132.274658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.274658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.274658 (E_RNA) where: Base-Base interactions energy: -1470.417 where: short stacking energy: -629.325 Base-Backbone interact. energy: -2.380 local terms energy: -659.477557 where: bonds (distance) C4'-P energy: -129.518 bonds (distance) P-C4' energy: -131.777 flat angles C4'-P-C4' energy: -134.352 flat angles P-C4'-P energy: -74.785 tors. eta vs tors. theta energy: -189.046 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: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2148.838124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.838124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.838124 (E_RNA) where: Base-Base interactions energy: -1467.131 where: short stacking energy: -645.139 Base-Backbone interact. energy: 1.813 local terms energy: -683.520729 where: bonds (distance) C4'-P energy: -129.146 bonds (distance) P-C4' energy: -127.260 flat angles C4'-P-C4' energy: -148.701 flat angles P-C4'-P energy: -92.396 tors. eta vs tors. theta energy: -186.017 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: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1915.092346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.092346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.092346 (E_RNA) where: Base-Base interactions energy: -1245.011 where: short stacking energy: -554.247 Base-Backbone interact. energy: -1.384 local terms energy: -668.697417 where: bonds (distance) C4'-P energy: -127.367 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -143.455 flat angles P-C4'-P energy: -71.914 tors. eta vs tors. theta energy: -178.899 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: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1797.325911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.325911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.325911 (E_RNA) where: Base-Base interactions energy: -1228.663 where: short stacking energy: -514.093 Base-Backbone interact. energy: -0.781 local terms energy: -567.882604 where: bonds (distance) C4'-P energy: -114.251 bonds (distance) P-C4' energy: -116.752 flat angles C4'-P-C4' energy: -122.090 flat angles P-C4'-P energy: -84.897 tors. eta vs tors. theta energy: -129.893 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: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1527.536951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.536951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.536951 (E_RNA) where: Base-Base interactions energy: -990.348 where: short stacking energy: -451.604 Base-Backbone interact. energy: -2.660 local terms energy: -534.529921 where: bonds (distance) C4'-P energy: -111.397 bonds (distance) P-C4' energy: -119.215 flat angles C4'-P-C4' energy: -118.237 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -104.243 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: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1335.902464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.902464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.902464 (E_RNA) where: Base-Base interactions energy: -838.713 where: short stacking energy: -342.375 Base-Backbone interact. energy: -2.167 local terms energy: -495.022398 where: bonds (distance) C4'-P energy: -103.998 bonds (distance) P-C4' energy: -129.732 flat angles C4'-P-C4' energy: -111.388 flat angles P-C4'-P energy: -69.865 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -964.908320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.908320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.908320 (E_RNA) where: Base-Base interactions energy: -571.377 where: short stacking energy: -293.510 Base-Backbone interact. energy: -0.852 local terms energy: -392.678848 where: bonds (distance) C4'-P energy: -100.135 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -108.999 flat angles P-C4'-P energy: -50.894 tors. eta vs tors. theta energy: -28.970 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: 10, replica: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -704.642925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.642925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.642925 (E_RNA) where: Base-Base interactions energy: -307.885 where: short stacking energy: -188.761 Base-Backbone interact. energy: -0.208 local terms energy: -396.550121 where: bonds (distance) C4'-P energy: -114.025 bonds (distance) P-C4' energy: -110.222 flat angles C4'-P-C4' energy: -104.617 flat angles P-C4'-P energy: -77.040 tors. eta vs tors. theta energy: 9.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2380.889493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.889493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.889493 (E_RNA) where: Base-Base interactions energy: -1661.049 where: short stacking energy: -680.042 Base-Backbone interact. energy: 1.718 local terms energy: -721.558233 where: bonds (distance) C4'-P energy: -134.494 bonds (distance) P-C4' energy: -137.037 flat angles C4'-P-C4' energy: -142.501 flat angles P-C4'-P energy: -115.244 tors. eta vs tors. theta energy: -192.282 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2345.000723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.000723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.000723 (E_RNA) where: Base-Base interactions energy: -1639.811 where: short stacking energy: -703.647 Base-Backbone interact. energy: 0.597 local terms energy: -705.786683 where: bonds (distance) C4'-P energy: -111.871 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -152.345 flat angles P-C4'-P energy: -98.892 tors. eta vs tors. theta energy: -215.594 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: 3, replica: 10 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2141.657588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.657588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.657588 (E_RNA) where: Base-Base interactions energy: -1463.514 where: short stacking energy: -603.596 Base-Backbone interact. energy: -0.379 local terms energy: -677.764699 where: bonds (distance) C4'-P energy: -115.038 bonds (distance) P-C4' energy: -124.186 flat angles C4'-P-C4' energy: -149.141 flat angles P-C4'-P energy: -105.983 tors. eta vs tors. theta energy: -183.417 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: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2165.411637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.411637 (E_RNA) where: Base-Base interactions energy: -1487.399 where: short stacking energy: -640.991 Base-Backbone interact. energy: -1.871 local terms energy: -676.141701 where: bonds (distance) C4'-P energy: -135.859 bonds (distance) P-C4' energy: -122.518 flat angles C4'-P-C4' energy: -139.684 flat angles P-C4'-P energy: -87.049 tors. eta vs tors. theta energy: -191.032 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: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1960.036168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.036168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.036168 (E_RNA) where: Base-Base interactions energy: -1331.854 where: short stacking energy: -593.735 Base-Backbone interact. energy: -2.270 local terms energy: -625.911371 where: bonds (distance) C4'-P energy: -121.672 bonds (distance) P-C4' energy: -113.878 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -91.676 tors. eta vs tors. theta energy: -154.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1841.047805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.047805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.047805 (E_RNA) where: Base-Base interactions energy: -1250.028 where: short stacking energy: -483.860 Base-Backbone interact. energy: -1.330 local terms energy: -589.689541 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -133.854 flat angles P-C4'-P energy: -91.513 tors. eta vs tors. theta energy: -138.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1514.019525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.019525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.019525 (E_RNA) where: Base-Base interactions energy: -1008.966 where: short stacking energy: -430.081 Base-Backbone interact. energy: -2.811 local terms energy: -502.242527 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -109.237 flat angles C4'-P-C4' energy: -123.530 flat angles P-C4'-P energy: -63.449 tors. eta vs tors. theta energy: -89.146 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: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1317.131903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.131903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.131903 (E_RNA) where: Base-Base interactions energy: -841.390 where: short stacking energy: -386.074 Base-Backbone interact. energy: -0.249 local terms energy: -475.492626 where: bonds (distance) C4'-P energy: -103.045 bonds (distance) P-C4' energy: -104.594 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -76.059 tors. eta vs tors. theta energy: -82.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -945.286917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.286917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.286917 (E_RNA) where: Base-Base interactions energy: -545.310 where: short stacking energy: -302.096 Base-Backbone interact. energy: -1.483 local terms energy: -398.493719 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -111.724 flat angles C4'-P-C4' energy: -105.929 flat angles P-C4'-P energy: -46.246 tors. eta vs tors. theta energy: -31.145 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: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -727.788438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.788438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.788438 (E_RNA) where: Base-Base interactions energy: -377.363 where: short stacking energy: -225.422 Base-Backbone interact. energy: 4.876 local terms energy: -355.300625 where: bonds (distance) C4'-P energy: -93.291 bonds (distance) P-C4' energy: -119.765 flat angles C4'-P-C4' energy: -83.989 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -2.448 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: 1, replica: 1 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2395.635926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.635926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.635926 (E_RNA) where: Base-Base interactions energy: -1661.906 where: short stacking energy: -685.661 Base-Backbone interact. energy: -3.734 local terms energy: -729.995862 where: bonds (distance) C4'-P energy: -122.881 bonds (distance) P-C4' energy: -135.501 flat angles C4'-P-C4' energy: -158.274 flat angles P-C4'-P energy: -104.994 tors. eta vs tors. theta energy: -208.346 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: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2341.130736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.130736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.130736 (E_RNA) where: Base-Base interactions energy: -1617.987 where: short stacking energy: -674.587 Base-Backbone interact. energy: -1.444 local terms energy: -721.699224 where: bonds (distance) C4'-P energy: -136.959 bonds (distance) P-C4' energy: -135.949 flat angles C4'-P-C4' energy: -154.278 flat angles P-C4'-P energy: -105.304 tors. eta vs tors. theta energy: -189.208 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: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2198.941920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.941920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.941920 (E_RNA) where: Base-Base interactions energy: -1505.186 where: short stacking energy: -651.358 Base-Backbone interact. energy: -1.429 local terms energy: -692.326235 where: bonds (distance) C4'-P energy: -117.181 bonds (distance) P-C4' energy: -133.821 flat angles C4'-P-C4' energy: -141.547 flat angles P-C4'-P energy: -91.647 tors. eta vs tors. theta energy: -208.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2105.739582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.739582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.739582 (E_RNA) where: Base-Base interactions energy: -1425.462 where: short stacking energy: -596.196 Base-Backbone interact. energy: -2.648 local terms energy: -677.629473 where: bonds (distance) C4'-P energy: -131.811 bonds (distance) P-C4' energy: -127.541 flat angles C4'-P-C4' energy: -148.157 flat angles P-C4'-P energy: -81.276 tors. eta vs tors. theta energy: -188.844 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: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1957.035674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.035674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.035674 (E_RNA) where: Base-Base interactions energy: -1344.501 where: short stacking energy: -590.391 Base-Backbone interact. energy: 0.191 local terms energy: -612.726013 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -112.367 flat angles C4'-P-C4' energy: -138.444 flat angles P-C4'-P energy: -84.846 tors. eta vs tors. theta energy: -161.437 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: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1896.183849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.183849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.183849 (E_RNA) where: Base-Base interactions energy: -1294.450 where: short stacking energy: -570.721 Base-Backbone interact. energy: 3.425 local terms energy: -605.159757 where: bonds (distance) C4'-P energy: -117.288 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -125.682 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -153.680 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: 410 Temperature: 1.200000 Total energy: -1555.003175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.003175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.003175 (E_RNA) where: Base-Base interactions energy: -1014.453 where: short stacking energy: -441.410 Base-Backbone interact. energy: -2.105 local terms energy: -538.445895 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -106.140 flat angles C4'-P-C4' energy: -131.775 flat angles P-C4'-P energy: -96.159 tors. eta vs tors. theta energy: -99.602 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: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1302.337201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.337201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.337201 (E_RNA) where: Base-Base interactions energy: -817.660 where: short stacking energy: -356.116 Base-Backbone interact. energy: 0.144 local terms energy: -484.821248 where: bonds (distance) C4'-P energy: -116.442 bonds (distance) P-C4' energy: -110.970 flat angles C4'-P-C4' energy: -117.392 flat angles P-C4'-P energy: -77.647 tors. eta vs tors. theta energy: -62.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -874.327335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.327335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.327335 (E_RNA) where: Base-Base interactions energy: -469.933 where: short stacking energy: -243.669 Base-Backbone interact. energy: -1.725 local terms energy: -402.669925 where: bonds (distance) C4'-P energy: -107.558 bonds (distance) P-C4' energy: -137.161 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -52.684 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -709.709062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.709062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.709062 (E_RNA) where: Base-Base interactions energy: -336.946 where: short stacking energy: -191.088 Base-Backbone interact. energy: 0.685 local terms energy: -373.448177 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -126.674 flat angles C4'-P-C4' energy: -91.684 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2398.788407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.788407 (E_RNA) where: Base-Base interactions energy: -1670.770 where: short stacking energy: -707.279 Base-Backbone interact. energy: -2.197 local terms energy: -725.821583 where: bonds (distance) C4'-P energy: -136.756 bonds (distance) P-C4' energy: -131.573 flat angles C4'-P-C4' energy: -162.231 flat angles P-C4'-P energy: -90.706 tors. eta vs tors. theta energy: -204.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2337.451436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.451436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.451436 (E_RNA) where: Base-Base interactions energy: -1625.089 where: short stacking energy: -670.530 Base-Backbone interact. energy: -1.596 local terms energy: -710.766834 where: bonds (distance) C4'-P energy: -137.254 bonds (distance) P-C4' energy: -124.201 flat angles C4'-P-C4' energy: -149.505 flat angles P-C4'-P energy: -92.114 tors. eta vs tors. theta energy: -207.692 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: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2193.117096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.117096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.117096 (E_RNA) where: Base-Base interactions energy: -1499.849 where: short stacking energy: -676.199 Base-Backbone interact. energy: -1.821 local terms energy: -691.446957 where: bonds (distance) C4'-P energy: -126.699 bonds (distance) P-C4' energy: -120.197 flat angles C4'-P-C4' energy: -146.972 flat angles P-C4'-P energy: -97.975 tors. eta vs tors. theta energy: -199.604 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: 4, replica: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2059.960557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.960557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.960557 (E_RNA) where: Base-Base interactions energy: -1426.335 where: short stacking energy: -572.304 Base-Backbone interact. energy: -3.855 local terms energy: -629.769942 where: bonds (distance) C4'-P energy: -118.988 bonds (distance) P-C4' energy: -112.547 flat angles C4'-P-C4' energy: -143.449 flat angles P-C4'-P energy: -73.168 tors. eta vs tors. theta energy: -181.618 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: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1983.878292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.878292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.878292 (E_RNA) where: Base-Base interactions energy: -1333.381 where: short stacking energy: -555.230 Base-Backbone interact. energy: -4.674 local terms energy: -645.823993 where: bonds (distance) C4'-P energy: -114.809 bonds (distance) P-C4' energy: -135.666 flat angles C4'-P-C4' energy: -139.167 flat angles P-C4'-P energy: -93.254 tors. eta vs tors. theta energy: -162.928 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: 8 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1902.257608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.257608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.257608 (E_RNA) where: Base-Base interactions energy: -1295.526 where: short stacking energy: -554.588 Base-Backbone interact. energy: -0.378 local terms energy: -606.353572 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -100.303 flat angles C4'-P-C4' energy: -145.872 flat angles P-C4'-P energy: -89.839 tors. eta vs tors. theta energy: -163.124 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1499.987114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.987114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.987114 (E_RNA) where: Base-Base interactions energy: -995.534 where: short stacking energy: -434.196 Base-Backbone interact. energy: -2.689 local terms energy: -501.764814 where: bonds (distance) C4'-P energy: -81.471 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -116.160 flat angles P-C4'-P energy: -91.087 tors. eta vs tors. theta energy: -101.539 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: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1331.459136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.459136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.459136 (E_RNA) where: Base-Base interactions energy: -859.417 where: short stacking energy: -381.654 Base-Backbone interact. energy: 0.192 local terms energy: -472.233357 where: bonds (distance) C4'-P energy: -116.378 bonds (distance) P-C4' energy: -116.147 flat angles C4'-P-C4' energy: -109.016 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: -70.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -925.195863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.195863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.195863 (E_RNA) where: Base-Base interactions energy: -496.024 where: short stacking energy: -252.719 Base-Backbone interact. energy: -6.498 local terms energy: -422.673944 where: bonds (distance) C4'-P energy: -105.125 bonds (distance) P-C4' energy: -122.633 flat angles C4'-P-C4' energy: -112.384 flat angles P-C4'-P energy: -67.110 tors. eta vs tors. theta energy: -15.423 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: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -738.944650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.944650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.944650 (E_RNA) where: Base-Base interactions energy: -388.586 where: short stacking energy: -237.760 Base-Backbone interact. energy: -1.686 local terms energy: -348.672415 where: bonds (distance) C4'-P energy: -83.702 bonds (distance) P-C4' energy: -100.899 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -11.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2396.408080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.408080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.408080 (E_RNA) where: Base-Base interactions energy: -1642.305 where: short stacking energy: -702.669 Base-Backbone interact. energy: -4.379 local terms energy: -749.723602 where: bonds (distance) C4'-P energy: -143.754 bonds (distance) P-C4' energy: -128.712 flat angles C4'-P-C4' energy: -157.316 flat angles P-C4'-P energy: -104.110 tors. eta vs tors. theta energy: -215.831 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: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2365.084646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.084646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.084646 (E_RNA) where: Base-Base interactions energy: -1658.863 where: short stacking energy: -667.077 Base-Backbone interact. energy: -2.740 local terms energy: -703.482506 where: bonds (distance) C4'-P energy: -128.756 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -143.049 flat angles P-C4'-P energy: -99.649 tors. eta vs tors. theta energy: -191.452 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: 2 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2270.619013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.619013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.619013 (E_RNA) where: Base-Base interactions energy: -1545.992 where: short stacking energy: -682.042 Base-Backbone interact. energy: -3.426 local terms energy: -721.201777 where: bonds (distance) C4'-P energy: -126.748 bonds (distance) P-C4' energy: -133.041 flat angles C4'-P-C4' energy: -147.538 flat angles P-C4'-P energy: -104.457 tors. eta vs tors. theta energy: -209.418 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: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2118.014182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.014182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.014182 (E_RNA) where: Base-Base interactions energy: -1447.616 where: short stacking energy: -631.211 Base-Backbone interact. energy: 0.989 local terms energy: -671.387420 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -136.523 flat angles C4'-P-C4' energy: -126.215 flat angles P-C4'-P energy: -105.763 tors. eta vs tors. theta energy: -187.082 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1951.195363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.195363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.195363 (E_RNA) where: Base-Base interactions energy: -1352.626 where: short stacking energy: -585.153 Base-Backbone interact. energy: -0.736 local terms energy: -597.833337 where: bonds (distance) C4'-P energy: -121.364 bonds (distance) P-C4' energy: -106.079 flat angles C4'-P-C4' energy: -132.849 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -173.135 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1913.562853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.562853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.562853 (E_RNA) where: Base-Base interactions energy: -1288.708 where: short stacking energy: -563.527 Base-Backbone interact. energy: -0.450 local terms energy: -624.404519 where: bonds (distance) C4'-P energy: -109.535 bonds (distance) P-C4' energy: -121.467 flat angles C4'-P-C4' energy: -136.095 flat angles P-C4'-P energy: -86.207 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: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1531.302777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.302777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.302777 (E_RNA) where: Base-Base interactions energy: -1009.023 where: short stacking energy: -448.003 Base-Backbone interact. energy: -3.484 local terms energy: -518.795073 where: bonds (distance) C4'-P energy: -95.961 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -114.817 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -99.509 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: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1303.118346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.118346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.118346 (E_RNA) where: Base-Base interactions energy: -831.238 where: short stacking energy: -355.305 Base-Backbone interact. energy: -0.185 local terms energy: -471.695580 where: bonds (distance) C4'-P energy: -104.138 bonds (distance) P-C4' energy: -111.544 flat angles C4'-P-C4' energy: -115.385 flat angles P-C4'-P energy: -79.562 tors. eta vs tors. theta energy: -61.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -938.030060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.030060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.030060 (E_RNA) where: Base-Base interactions energy: -552.902 where: short stacking energy: -302.832 Base-Backbone interact. energy: -2.349 local terms energy: -382.779971 where: bonds (distance) C4'-P energy: -82.184 bonds (distance) P-C4' energy: -95.871 flat angles C4'-P-C4' energy: -110.252 flat angles P-C4'-P energy: -67.499 tors. eta vs tors. theta energy: -26.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -648.430396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.430396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.430396 (E_RNA) where: Base-Base interactions energy: -294.482 where: short stacking energy: -190.258 Base-Backbone interact. energy: 0.226 local terms energy: -354.173816 where: bonds (distance) C4'-P energy: -99.511 bonds (distance) P-C4' energy: -112.107 flat angles C4'-P-C4' energy: -96.658 flat angles P-C4'-P energy: -45.443 tors. eta vs tors. theta energy: -0.455 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: 1, replica: 1 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2413.528870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.528870 (E_RNA) where: Base-Base interactions energy: -1684.227 where: short stacking energy: -696.143 Base-Backbone interact. energy: -1.104 local terms energy: -728.197987 where: bonds (distance) C4'-P energy: -125.724 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -150.152 flat angles P-C4'-P energy: -103.150 tors. eta vs tors. theta energy: -213.376 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: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2355.782670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.782670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.782670 (E_RNA) where: Base-Base interactions energy: -1632.941 where: short stacking energy: -661.124 Base-Backbone interact. energy: 1.911 local terms energy: -724.753302 where: bonds (distance) C4'-P energy: -135.695 bonds (distance) P-C4' energy: -138.831 flat angles C4'-P-C4' energy: -147.202 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -202.380 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: 3, replica: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2202.773489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.773489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.773489 (E_RNA) where: Base-Base interactions energy: -1509.810 where: short stacking energy: -676.906 Base-Backbone interact. energy: -1.521 local terms energy: -691.443104 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -124.858 flat angles C4'-P-C4' energy: -157.073 flat angles P-C4'-P energy: -92.458 tors. eta vs tors. theta energy: -196.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2120.582578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.582578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.582578 (E_RNA) where: Base-Base interactions energy: -1451.744 where: short stacking energy: -618.835 Base-Backbone interact. energy: -0.890 local terms energy: -667.949010 where: bonds (distance) C4'-P energy: -118.241 bonds (distance) P-C4' energy: -118.531 flat angles C4'-P-C4' energy: -137.175 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -195.625 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: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1957.664967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.664967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.664967 (E_RNA) where: Base-Base interactions energy: -1339.824 where: short stacking energy: -595.245 Base-Backbone interact. energy: -0.223 local terms energy: -617.618466 where: bonds (distance) C4'-P energy: -117.526 bonds (distance) P-C4' energy: -106.603 flat angles C4'-P-C4' energy: -140.226 flat angles P-C4'-P energy: -86.707 tors. eta vs tors. theta energy: -166.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1826.017154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.017154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.017154 (E_RNA) where: Base-Base interactions energy: -1227.170 where: short stacking energy: -528.055 Base-Backbone interact. energy: -1.268 local terms energy: -597.579783 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -117.164 flat angles C4'-P-C4' energy: -131.557 flat angles P-C4'-P energy: -90.664 tors. eta vs tors. theta energy: -144.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1557.334483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.334483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.334483 (E_RNA) where: Base-Base interactions energy: -1024.386 where: short stacking energy: -453.353 Base-Backbone interact. energy: -1.838 local terms energy: -531.110107 where: bonds (distance) C4'-P energy: -111.784 bonds (distance) P-C4' energy: -120.998 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -79.714 tors. eta vs tors. theta energy: -107.349 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: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1381.505095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.505095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.505095 (E_RNA) where: Base-Base interactions energy: -860.392 where: short stacking energy: -393.229 Base-Backbone interact. energy: -1.692 local terms energy: -519.421162 where: bonds (distance) C4'-P energy: -109.967 bonds (distance) P-C4' energy: -113.853 flat angles C4'-P-C4' energy: -127.877 flat angles P-C4'-P energy: -64.381 tors. eta vs tors. theta energy: -103.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -987.748261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.748261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.748261 (E_RNA) where: Base-Base interactions energy: -568.991 where: short stacking energy: -300.068 Base-Backbone interact. energy: 0.071 local terms energy: -418.828436 where: bonds (distance) C4'-P energy: -115.181 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -100.058 flat angles P-C4'-P energy: -53.978 tors. eta vs tors. theta energy: -43.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -609.900272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.900272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.900272 (E_RNA) where: Base-Base interactions energy: -286.094 where: short stacking energy: -178.963 Base-Backbone interact. energy: 3.389 local terms energy: -327.195568 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -104.571 flat angles C4'-P-C4' energy: -91.638 flat angles P-C4'-P energy: -44.011 tors. eta vs tors. theta energy: 12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2374.572297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.572297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.572297 (E_RNA) where: Base-Base interactions energy: -1654.813 where: short stacking energy: -703.940 Base-Backbone interact. energy: -0.937 local terms energy: -718.821518 where: bonds (distance) C4'-P energy: -132.214 bonds (distance) P-C4' energy: -123.140 flat angles C4'-P-C4' energy: -150.997 flat angles P-C4'-P energy: -103.456 tors. eta vs tors. theta energy: -209.015 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: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2342.509336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.509336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.509336 (E_RNA) where: Base-Base interactions energy: -1657.584 where: short stacking energy: -686.643 Base-Backbone interact. energy: -3.874 local terms energy: -681.051038 where: bonds (distance) C4'-P energy: -130.910 bonds (distance) P-C4' energy: -125.683 flat angles C4'-P-C4' energy: -130.766 flat angles P-C4'-P energy: -93.923 tors. eta vs tors. theta energy: -199.769 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: 3, replica: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2193.891532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.891532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.891532 (E_RNA) where: Base-Base interactions energy: -1488.306 where: short stacking energy: -668.287 Base-Backbone interact. energy: 2.521 local terms energy: -708.106341 where: bonds (distance) C4'-P energy: -125.292 bonds (distance) P-C4' energy: -139.454 flat angles C4'-P-C4' energy: -144.487 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -200.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2130.386296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.386296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.386296 (E_RNA) where: Base-Base interactions energy: -1467.772 where: short stacking energy: -624.332 Base-Backbone interact. energy: 1.928 local terms energy: -664.542071 where: bonds (distance) C4'-P energy: -119.170 bonds (distance) P-C4' energy: -137.809 flat angles C4'-P-C4' energy: -131.064 flat angles P-C4'-P energy: -90.192 tors. eta vs tors. theta energy: -186.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2007.585532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.585532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.585532 (E_RNA) where: Base-Base interactions energy: -1341.021 where: short stacking energy: -577.104 Base-Backbone interact. energy: -2.769 local terms energy: -663.795156 where: bonds (distance) C4'-P energy: -103.903 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -141.529 flat angles P-C4'-P energy: -104.608 tors. eta vs tors. theta energy: -184.241 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: 6, replica: 8 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1787.028759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.028759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.028759 (E_RNA) where: Base-Base interactions energy: -1212.053 where: short stacking energy: -522.000 Base-Backbone interact. energy: -2.261 local terms energy: -572.714521 where: bonds (distance) C4'-P energy: -116.428 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -131.852 flat angles P-C4'-P energy: -81.908 tors. eta vs tors. theta energy: -122.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1535.039573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.039573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.039573 (E_RNA) where: Base-Base interactions energy: -1009.754 where: short stacking energy: -424.578 Base-Backbone interact. energy: 4.232 local terms energy: -529.517590 where: bonds (distance) C4'-P energy: -105.251 bonds (distance) P-C4' energy: -126.785 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -74.603 tors. eta vs tors. theta energy: -97.180 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: 414 Temperature: 1.250000 Total energy: -1362.559471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.559471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.559471 (E_RNA) where: Base-Base interactions energy: -874.020 where: short stacking energy: -370.131 Base-Backbone interact. energy: 3.154 local terms energy: -491.694068 where: bonds (distance) C4'-P energy: -112.075 bonds (distance) P-C4' energy: -119.663 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -63.699 tors. eta vs tors. theta energy: -67.567 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: 6 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -918.903849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.903849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.903849 (E_RNA) where: Base-Base interactions energy: -520.761 where: short stacking energy: -247.969 Base-Backbone interact. energy: -0.411 local terms energy: -397.732042 where: bonds (distance) C4'-P energy: -102.445 bonds (distance) P-C4' energy: -124.730 flat angles C4'-P-C4' energy: -96.549 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -12.607 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: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -612.984963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.984963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.984963 (E_RNA) where: Base-Base interactions energy: -261.672 where: short stacking energy: -169.925 Base-Backbone interact. energy: 3.394 local terms energy: -354.706786 where: bonds (distance) C4'-P energy: -92.751 bonds (distance) P-C4' energy: -118.101 flat angles C4'-P-C4' energy: -101.212 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: 15.515 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: 415 Temperature: 0.900000 Total energy: -2366.458323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.458323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.458323 (E_RNA) where: Base-Base interactions energy: -1625.081 where: short stacking energy: -680.664 Base-Backbone interact. energy: -3.039 local terms energy: -738.338320 where: bonds (distance) C4'-P energy: -125.365 bonds (distance) P-C4' energy: -129.091 flat angles C4'-P-C4' energy: -163.200 flat angles P-C4'-P energy: -109.926 tors. eta vs tors. theta energy: -210.756 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: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2333.890633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.890633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.890633 (E_RNA) where: Base-Base interactions energy: -1615.399 where: short stacking energy: -677.270 Base-Backbone interact. energy: -1.511 local terms energy: -716.980625 where: bonds (distance) C4'-P energy: -131.982 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -148.936 flat angles P-C4'-P energy: -101.817 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: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2220.028429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.028429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.028429 (E_RNA) where: Base-Base interactions energy: -1512.867 where: short stacking energy: -659.275 Base-Backbone interact. energy: -1.132 local terms energy: -706.029375 where: bonds (distance) C4'-P energy: -130.497 bonds (distance) P-C4' energy: -130.785 flat angles C4'-P-C4' energy: -145.842 flat angles P-C4'-P energy: -98.762 tors. eta vs tors. theta energy: -200.143 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: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2107.721658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.721658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.721658 (E_RNA) where: Base-Base interactions energy: -1446.360 where: short stacking energy: -625.294 Base-Backbone interact. energy: -1.564 local terms energy: -659.797839 where: bonds (distance) C4'-P energy: -113.407 bonds (distance) P-C4' energy: -113.280 flat angles C4'-P-C4' energy: -143.603 flat angles P-C4'-P energy: -108.474 tors. eta vs tors. theta energy: -181.034 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: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2014.046361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.046361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.046361 (E_RNA) where: Base-Base interactions energy: -1403.889 where: short stacking energy: -560.157 Base-Backbone interact. energy: -1.591 local terms energy: -608.565926 where: bonds (distance) C4'-P energy: -110.688 bonds (distance) P-C4' energy: -121.100 flat angles C4'-P-C4' energy: -134.526 flat angles P-C4'-P energy: -76.257 tors. eta vs tors. theta energy: -165.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1769.348768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.348768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.348768 (E_RNA) where: Base-Base interactions energy: -1178.623 where: short stacking energy: -492.308 Base-Backbone interact. energy: -1.206 local terms energy: -589.519765 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -140.526 flat angles C4'-P-C4' energy: -123.850 flat angles P-C4'-P energy: -68.466 tors. eta vs tors. theta energy: -133.135 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: 7, replica: 9 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1506.733650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.733650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.733650 (E_RNA) where: Base-Base interactions energy: -960.476 where: short stacking energy: -419.940 Base-Backbone interact. energy: -0.534 local terms energy: -545.723243 where: bonds (distance) C4'-P energy: -122.350 bonds (distance) P-C4' energy: -127.479 flat angles C4'-P-C4' energy: -128.612 flat angles P-C4'-P energy: -82.416 tors. eta vs tors. theta energy: -84.867 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: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1387.122492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.122492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.122492 (E_RNA) where: Base-Base interactions energy: -860.771 where: short stacking energy: -367.458 Base-Backbone interact. energy: -1.619 local terms energy: -524.732537 where: bonds (distance) C4'-P energy: -92.116 bonds (distance) P-C4' energy: -129.363 flat angles C4'-P-C4' energy: -128.779 flat angles P-C4'-P energy: -90.843 tors. eta vs tors. theta energy: -83.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -894.281847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.281847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.281847 (E_RNA) where: Base-Base interactions energy: -520.231 where: short stacking energy: -246.972 Base-Backbone interact. energy: 1.036 local terms energy: -375.087252 where: bonds (distance) C4'-P energy: -82.627 bonds (distance) P-C4' energy: -105.001 flat angles C4'-P-C4' energy: -116.680 flat angles P-C4'-P energy: -59.162 tors. eta vs tors. theta energy: -11.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -708.597463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.597463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.597463 (E_RNA) where: Base-Base interactions energy: -323.814 where: short stacking energy: -190.368 Base-Backbone interact. energy: -0.246 local terms energy: -384.538037 where: bonds (distance) C4'-P energy: -128.725 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -83.214 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2375.089112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.089112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.089112 (E_RNA) where: Base-Base interactions energy: -1629.823 where: short stacking energy: -693.607 Base-Backbone interact. energy: -2.896 local terms energy: -742.369578 where: bonds (distance) C4'-P energy: -137.392 bonds (distance) P-C4' energy: -138.297 flat angles C4'-P-C4' energy: -156.421 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -209.134 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: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2330.417951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.417951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.417951 (E_RNA) where: Base-Base interactions energy: -1595.116 where: short stacking energy: -659.256 Base-Backbone interact. energy: -3.578 local terms energy: -731.724142 where: bonds (distance) C4'-P energy: -139.226 bonds (distance) P-C4' energy: -140.480 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -101.863 tors. eta vs tors. theta energy: -198.117 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: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2200.569954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.569954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.569954 (E_RNA) where: Base-Base interactions energy: -1488.548 where: short stacking energy: -635.265 Base-Backbone interact. energy: -0.156 local terms energy: -711.865864 where: bonds (distance) C4'-P energy: -136.005 bonds (distance) P-C4' energy: -124.681 flat angles C4'-P-C4' energy: -158.594 flat angles P-C4'-P energy: -100.816 tors. eta vs tors. theta energy: -191.770 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: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2060.272998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.272998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.272998 (E_RNA) where: Base-Base interactions energy: -1401.841 where: short stacking energy: -605.842 Base-Backbone interact. energy: -1.803 local terms energy: -656.628381 where: bonds (distance) C4'-P energy: -118.580 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -154.635 flat angles P-C4'-P energy: -92.805 tors. eta vs tors. theta energy: -161.691 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: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1925.657631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.657631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.657631 (E_RNA) where: Base-Base interactions energy: -1294.648 where: short stacking energy: -552.862 Base-Backbone interact. energy: 0.716 local terms energy: -631.726058 where: bonds (distance) C4'-P energy: -116.519 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -132.319 flat angles P-C4'-P energy: -84.971 tors. eta vs tors. theta energy: -169.983 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: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1721.421161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.421161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.421161 (E_RNA) where: Base-Base interactions energy: -1126.887 where: short stacking energy: -491.171 Base-Backbone interact. energy: -3.015 local terms energy: -591.519178 where: bonds (distance) C4'-P energy: -123.396 bonds (distance) P-C4' energy: -121.447 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -88.618 tors. eta vs tors. theta energy: -128.415 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: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1448.393171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.393171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.393171 (E_RNA) where: Base-Base interactions energy: -936.455 where: short stacking energy: -417.449 Base-Backbone interact. energy: 0.007 local terms energy: -511.945960 where: bonds (distance) C4'-P energy: -119.597 bonds (distance) P-C4' energy: -118.461 flat angles C4'-P-C4' energy: -116.052 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -95.815 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: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1324.482680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.482680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.482680 (E_RNA) where: Base-Base interactions energy: -868.310 where: short stacking energy: -372.007 Base-Backbone interact. energy: -4.527 local terms energy: -451.646013 where: bonds (distance) C4'-P energy: -105.802 bonds (distance) P-C4' energy: -102.330 flat angles C4'-P-C4' energy: -118.151 flat angles P-C4'-P energy: -50.755 tors. eta vs tors. theta energy: -74.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -833.157974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.157974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.157974 (E_RNA) where: Base-Base interactions energy: -433.234 where: short stacking energy: -204.905 Base-Backbone interact. energy: -0.667 local terms energy: -399.257343 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -111.195 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -25.901 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: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -730.600150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.600150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.600150 (E_RNA) where: Base-Base interactions energy: -375.002 where: short stacking energy: -207.727 Base-Backbone interact. energy: -1.447 local terms energy: -354.150632 where: bonds (distance) C4'-P energy: -125.672 bonds (distance) P-C4' energy: -108.687 flat angles C4'-P-C4' energy: -75.919 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: 6.209 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: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2388.194593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.194593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.194593 (E_RNA) where: Base-Base interactions energy: -1642.399 where: short stacking energy: -704.800 Base-Backbone interact. energy: -2.695 local terms energy: -743.099782 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -136.927 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -101.629 tors. eta vs tors. theta energy: -211.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2338.596644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.596644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.596644 (E_RNA) where: Base-Base interactions energy: -1638.473 where: short stacking energy: -677.636 Base-Backbone interact. energy: -3.996 local terms energy: -696.127228 where: bonds (distance) C4'-P energy: -108.237 bonds (distance) P-C4' energy: -125.500 flat angles C4'-P-C4' energy: -158.253 flat angles P-C4'-P energy: -103.144 tors. eta vs tors. theta energy: -200.993 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: 3, replica: 2 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2209.553158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.553158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.553158 (E_RNA) where: Base-Base interactions energy: -1508.707 where: short stacking energy: -665.626 Base-Backbone interact. energy: -3.001 local terms energy: -697.844838 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -119.649 flat angles C4'-P-C4' energy: -146.942 flat angles P-C4'-P energy: -99.762 tors. eta vs tors. theta energy: -201.577 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: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2123.184353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.184353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.184353 (E_RNA) where: Base-Base interactions energy: -1450.943 where: short stacking energy: -625.356 Base-Backbone interact. energy: -1.145 local terms energy: -671.095416 where: bonds (distance) C4'-P energy: -116.947 bonds (distance) P-C4' energy: -117.216 flat angles C4'-P-C4' energy: -140.477 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -190.424 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: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1977.175558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.175558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.175558 (E_RNA) where: Base-Base interactions energy: -1327.776 where: short stacking energy: -573.818 Base-Backbone interact. energy: -0.526 local terms energy: -648.873552 where: bonds (distance) C4'-P energy: -117.805 bonds (distance) P-C4' energy: -119.940 flat angles C4'-P-C4' energy: -140.631 flat angles P-C4'-P energy: -108.220 tors. eta vs tors. theta energy: -162.278 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: 8 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1730.349027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.349027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.349027 (E_RNA) where: Base-Base interactions energy: -1168.834 where: short stacking energy: -492.018 Base-Backbone interact. energy: -3.174 local terms energy: -558.340950 where: bonds (distance) C4'-P energy: -99.315 bonds (distance) P-C4' energy: -115.020 flat angles C4'-P-C4' energy: -139.017 flat angles P-C4'-P energy: -68.892 tors. eta vs tors. theta energy: -136.096 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: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1549.845059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.845059 (E_RNA) where: Base-Base interactions energy: -1034.125 where: short stacking energy: -459.275 Base-Backbone interact. energy: 2.425 local terms energy: -518.145025 where: bonds (distance) C4'-P energy: -98.339 bonds (distance) P-C4' energy: -126.134 flat angles C4'-P-C4' energy: -122.536 flat angles P-C4'-P energy: -76.649 tors. eta vs tors. theta energy: -94.487 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: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1349.382909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.382909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.382909 (E_RNA) where: Base-Base interactions energy: -849.395 where: short stacking energy: -380.205 Base-Backbone interact. energy: -5.917 local terms energy: -494.070757 where: bonds (distance) C4'-P energy: -112.269 bonds (distance) P-C4' energy: -112.752 flat angles C4'-P-C4' energy: -113.451 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -78.195 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: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -795.009653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.009653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.009653 (E_RNA) where: Base-Base interactions energy: -391.765 where: short stacking energy: -210.346 Base-Backbone interact. energy: 0.637 local terms energy: -403.881119 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -93.454 flat angles C4'-P-C4' energy: -92.863 flat angles P-C4'-P energy: -81.085 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -726.580736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.580736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.580736 (E_RNA) where: Base-Base interactions energy: -365.576 where: short stacking energy: -195.193 Base-Backbone interact. energy: -1.325 local terms energy: -359.679873 where: bonds (distance) C4'-P energy: -109.060 bonds (distance) P-C4' energy: -97.987 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -4.617 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: 418 Temperature: 0.900000 Total energy: -2403.792045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.792045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.792045 (E_RNA) where: Base-Base interactions energy: -1674.989 where: short stacking energy: -720.701 Base-Backbone interact. energy: -1.043 local terms energy: -727.760799 where: bonds (distance) C4'-P energy: -130.660 bonds (distance) P-C4' energy: -129.570 flat angles C4'-P-C4' energy: -152.921 flat angles P-C4'-P energy: -101.571 tors. eta vs tors. theta energy: -213.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2312.165745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.165745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.165745 (E_RNA) where: Base-Base interactions energy: -1620.868 where: short stacking energy: -686.658 Base-Backbone interact. energy: -0.917 local terms energy: -690.379944 where: bonds (distance) C4'-P energy: -120.763 bonds (distance) P-C4' energy: -124.629 flat angles C4'-P-C4' energy: -152.709 flat angles P-C4'-P energy: -89.185 tors. eta vs tors. theta energy: -203.095 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: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2209.012392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.012392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.012392 (E_RNA) where: Base-Base interactions energy: -1505.736 where: short stacking energy: -637.630 Base-Backbone interact. energy: -2.195 local terms energy: -701.081087 where: bonds (distance) C4'-P energy: -118.621 bonds (distance) P-C4' energy: -129.979 flat angles C4'-P-C4' energy: -141.742 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -203.733 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: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2149.175591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.175591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.175591 (E_RNA) where: Base-Base interactions energy: -1477.652 where: short stacking energy: -614.018 Base-Backbone interact. energy: 0.481 local terms energy: -672.004785 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -123.891 flat angles C4'-P-C4' energy: -140.830 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -191.475 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: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1964.170312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.170312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.170312 (E_RNA) where: Base-Base interactions energy: -1372.394 where: short stacking energy: -552.617 Base-Backbone interact. energy: -0.765 local terms energy: -591.011573 where: bonds (distance) C4'-P energy: -110.185 bonds (distance) P-C4' energy: -111.014 flat angles C4'-P-C4' energy: -127.480 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -165.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1796.546976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.546976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.546976 (E_RNA) where: Base-Base interactions energy: -1199.749 where: short stacking energy: -532.848 Base-Backbone interact. energy: -4.115 local terms energy: -592.682364 where: bonds (distance) C4'-P energy: -123.517 bonds (distance) P-C4' energy: -113.002 flat angles C4'-P-C4' energy: -131.403 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -144.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1569.023335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.023335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.023335 (E_RNA) where: Base-Base interactions energy: -1031.960 where: short stacking energy: -454.179 Base-Backbone interact. energy: 0.976 local terms energy: -538.038934 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -115.569 flat angles C4'-P-C4' energy: -140.527 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -107.340 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: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1323.444620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.444620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.444620 (E_RNA) where: Base-Base interactions energy: -832.728 where: short stacking energy: -356.053 Base-Backbone interact. energy: 0.026 local terms energy: -490.742021 where: bonds (distance) C4'-P energy: -115.575 bonds (distance) P-C4' energy: -126.488 flat angles C4'-P-C4' energy: -117.664 flat angles P-C4'-P energy: -56.310 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: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -780.407361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.407361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.407361 (E_RNA) where: Base-Base interactions energy: -396.987 where: short stacking energy: -232.655 Base-Backbone interact. energy: 3.198 local terms energy: -386.619151 where: bonds (distance) C4'-P energy: -118.455 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -91.767 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: 0.067 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: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -589.623796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.623796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.623796 (E_RNA) where: Base-Base interactions energy: -251.536 where: short stacking energy: -170.510 Base-Backbone interact. energy: 0.916 local terms energy: -339.003535 where: bonds (distance) C4'-P energy: -93.404 bonds (distance) P-C4' energy: -101.262 flat angles C4'-P-C4' energy: -93.788 flat angles P-C4'-P energy: -49.177 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2385.309981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.309981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.309981 (E_RNA) where: Base-Base interactions energy: -1666.667 where: short stacking energy: -695.778 Base-Backbone interact. energy: -0.233 local terms energy: -718.409695 where: bonds (distance) C4'-P energy: -115.607 bonds (distance) P-C4' energy: -133.993 flat angles C4'-P-C4' energy: -157.827 flat angles P-C4'-P energy: -98.465 tors. eta vs tors. theta energy: -212.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2312.243977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.243977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.243977 (E_RNA) where: Base-Base interactions energy: -1621.251 where: short stacking energy: -666.234 Base-Backbone interact. energy: -1.632 local terms energy: -689.360986 where: bonds (distance) C4'-P energy: -126.155 bonds (distance) P-C4' energy: -119.090 flat angles C4'-P-C4' energy: -148.527 flat angles P-C4'-P energy: -100.066 tors. eta vs tors. theta energy: -195.523 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: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2206.589043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.589043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.589043 (E_RNA) where: Base-Base interactions energy: -1504.400 where: short stacking energy: -676.047 Base-Backbone interact. energy: 1.230 local terms energy: -703.419305 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -122.473 flat angles C4'-P-C4' energy: -150.790 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -202.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2176.108523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.108523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.108523 (E_RNA) where: Base-Base interactions energy: -1502.847 where: short stacking energy: -646.567 Base-Backbone interact. energy: 1.940 local terms energy: -675.201757 where: bonds (distance) C4'-P energy: -137.465 bonds (distance) P-C4' energy: -119.607 flat angles C4'-P-C4' energy: -138.436 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -192.654 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: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1984.917690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.917690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.917690 (E_RNA) where: Base-Base interactions energy: -1372.108 where: short stacking energy: -574.723 Base-Backbone interact. energy: -2.993 local terms energy: -609.816496 where: bonds (distance) C4'-P energy: -115.329 bonds (distance) P-C4' energy: -121.375 flat angles C4'-P-C4' energy: -135.041 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: -159.418 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: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1823.203751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.203751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.203751 (E_RNA) where: Base-Base interactions energy: -1217.247 where: short stacking energy: -542.291 Base-Backbone interact. energy: -2.608 local terms energy: -603.348789 where: bonds (distance) C4'-P energy: -114.201 bonds (distance) P-C4' energy: -125.864 flat angles C4'-P-C4' energy: -128.761 flat angles P-C4'-P energy: -80.426 tors. eta vs tors. theta energy: -154.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1529.273625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.273625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.273625 (E_RNA) where: Base-Base interactions energy: -1004.484 where: short stacking energy: -443.564 Base-Backbone interact. energy: -3.950 local terms energy: -520.839922 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -102.422 flat angles C4'-P-C4' energy: -130.284 flat angles P-C4'-P energy: -91.257 tors. eta vs tors. theta energy: -96.392 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: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1304.539186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.539186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.539186 (E_RNA) where: Base-Base interactions energy: -848.555 where: short stacking energy: -364.803 Base-Backbone interact. energy: 1.406 local terms energy: -457.389943 where: bonds (distance) C4'-P energy: -104.979 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -110.328 flat angles P-C4'-P energy: -61.407 tors. eta vs tors. theta energy: -70.306 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: 6 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -818.528703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.528703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.528703 (E_RNA) where: Base-Base interactions energy: -441.315 where: short stacking energy: -272.752 Base-Backbone interact. energy: 4.507 local terms energy: -381.720350 where: bonds (distance) C4'-P energy: -101.294 bonds (distance) P-C4' energy: -107.298 flat angles C4'-P-C4' energy: -90.118 flat angles P-C4'-P energy: -55.893 tors. eta vs tors. theta energy: -27.117 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: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -614.221975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.221975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.221975 (E_RNA) where: Base-Base interactions energy: -265.478 where: short stacking energy: -172.884 Base-Backbone interact. energy: -2.076 local terms energy: -346.667492 where: bonds (distance) C4'-P energy: -104.286 bonds (distance) P-C4' energy: -111.905 flat angles C4'-P-C4' energy: -84.304 flat angles P-C4'-P energy: -55.950 tors. eta vs tors. theta energy: 9.777 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: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2389.265667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.265667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.265667 (E_RNA) where: Base-Base interactions energy: -1666.318 where: short stacking energy: -715.475 Base-Backbone interact. energy: -2.234 local terms energy: -720.714071 where: bonds (distance) C4'-P energy: -115.904 bonds (distance) P-C4' energy: -138.809 flat angles C4'-P-C4' energy: -160.972 flat angles P-C4'-P energy: -100.363 tors. eta vs tors. theta energy: -204.666 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: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2302.022120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.022120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.022120 (E_RNA) where: Base-Base interactions energy: -1584.306 where: short stacking energy: -653.096 Base-Backbone interact. energy: -4.057 local terms energy: -713.659517 where: bonds (distance) C4'-P energy: -134.856 bonds (distance) P-C4' energy: -129.211 flat angles C4'-P-C4' energy: -154.580 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -197.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2267.118470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.118470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.118470 (E_RNA) where: Base-Base interactions energy: -1553.958 where: short stacking energy: -660.393 Base-Backbone interact. energy: 1.642 local terms energy: -714.802520 where: bonds (distance) C4'-P energy: -141.575 bonds (distance) P-C4' energy: -130.147 flat angles C4'-P-C4' energy: -143.752 flat angles P-C4'-P energy: -95.685 tors. eta vs tors. theta energy: -203.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2171.625692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.625692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.625692 (E_RNA) where: Base-Base interactions energy: -1479.044 where: short stacking energy: -641.314 Base-Backbone interact. energy: -3.459 local terms energy: -689.122344 where: bonds (distance) C4'-P energy: -117.844 bonds (distance) P-C4' energy: -135.269 flat angles C4'-P-C4' energy: -145.303 flat angles P-C4'-P energy: -91.115 tors. eta vs tors. theta energy: -199.591 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1985.536833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.536833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.536833 (E_RNA) where: Base-Base interactions energy: -1378.402 where: short stacking energy: -552.108 Base-Backbone interact. energy: -2.142 local terms energy: -604.993027 where: bonds (distance) C4'-P energy: -113.155 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -143.312 flat angles P-C4'-P energy: -75.508 tors. eta vs tors. theta energy: -162.493 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: 420 Temperature: 1.150000 Total energy: -1888.685107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.685107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.685107 (E_RNA) where: Base-Base interactions energy: -1264.674 where: short stacking energy: -545.763 Base-Backbone interact. energy: -2.840 local terms energy: -621.170418 where: bonds (distance) C4'-P energy: -127.978 bonds (distance) P-C4' energy: -109.005 flat angles C4'-P-C4' energy: -130.079 flat angles P-C4'-P energy: -91.830 tors. eta vs tors. theta energy: -162.278 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: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1573.463563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.463563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.463563 (E_RNA) where: Base-Base interactions energy: -1032.381 where: short stacking energy: -467.372 Base-Backbone interact. energy: 1.674 local terms energy: -542.757141 where: bonds (distance) C4'-P energy: -122.279 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -108.560 flat angles P-C4'-P energy: -85.294 tors. eta vs tors. theta energy: -102.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1360.559812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.559812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.559812 (E_RNA) where: Base-Base interactions energy: -878.080 where: short stacking energy: -382.317 Base-Backbone interact. energy: -0.309 local terms energy: -482.170636 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -112.187 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -78.684 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: 6 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -798.155131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.155131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.155131 (E_RNA) where: Base-Base interactions energy: -410.008 where: short stacking energy: -244.095 Base-Backbone interact. energy: -0.088 local terms energy: -388.058699 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -116.087 flat angles C4'-P-C4' energy: -102.327 flat angles P-C4'-P energy: -59.988 tors. eta vs tors. theta energy: -12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -642.932902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.932902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.932902 (E_RNA) where: Base-Base interactions energy: -286.690 where: short stacking energy: -197.003 Base-Backbone interact. energy: -2.807 local terms energy: -353.435099 where: bonds (distance) C4'-P energy: -121.949 bonds (distance) P-C4' energy: -100.319 flat angles C4'-P-C4' energy: -93.204 flat angles P-C4'-P energy: -34.752 tors. eta vs tors. theta energy: -3.210 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: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2378.259365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.259365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.259365 (E_RNA) where: Base-Base interactions energy: -1651.731 where: short stacking energy: -692.678 Base-Backbone interact. energy: -0.548 local terms energy: -725.979731 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -146.405 flat angles C4'-P-C4' energy: -151.077 flat angles P-C4'-P energy: -94.231 tors. eta vs tors. theta energy: -204.240 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: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2319.294401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.294401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.294401 (E_RNA) where: Base-Base interactions energy: -1584.688 where: short stacking energy: -695.993 Base-Backbone interact. energy: 1.507 local terms energy: -736.113465 where: bonds (distance) C4'-P energy: -133.557 bonds (distance) P-C4' energy: -140.377 flat angles C4'-P-C4' energy: -142.999 flat angles P-C4'-P energy: -104.924 tors. eta vs tors. theta energy: -214.257 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: 421 Temperature: 1.000000 Total energy: -2273.647796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.647796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.647796 (E_RNA) where: Base-Base interactions energy: -1567.416 where: short stacking energy: -667.620 Base-Backbone interact. energy: -2.895 local terms energy: -703.336753 where: bonds (distance) C4'-P energy: -133.554 bonds (distance) P-C4' energy: -121.454 flat angles C4'-P-C4' energy: -147.283 flat angles P-C4'-P energy: -97.696 tors. eta vs tors. theta energy: -203.350 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: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2137.462761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.462761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.462761 (E_RNA) where: Base-Base interactions energy: -1463.694 where: short stacking energy: -635.458 Base-Backbone interact. energy: -0.982 local terms energy: -672.786308 where: bonds (distance) C4'-P energy: -118.598 bonds (distance) P-C4' energy: -123.551 flat angles C4'-P-C4' energy: -140.654 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -189.631 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: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1963.426395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.426395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.426395 (E_RNA) where: Base-Base interactions energy: -1339.977 where: short stacking energy: -557.970 Base-Backbone interact. energy: -2.440 local terms energy: -621.009047 where: bonds (distance) C4'-P energy: -119.295 bonds (distance) P-C4' energy: -135.695 flat angles C4'-P-C4' energy: -124.582 flat angles P-C4'-P energy: -77.878 tors. eta vs tors. theta energy: -163.559 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: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1884.148088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.148088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.148088 (E_RNA) where: Base-Base interactions energy: -1255.490 where: short stacking energy: -550.701 Base-Backbone interact. energy: -2.356 local terms energy: -626.302075 where: bonds (distance) C4'-P energy: -119.414 bonds (distance) P-C4' energy: -129.120 flat angles C4'-P-C4' energy: -133.759 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -158.708 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: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1605.596020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.596020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.596020 (E_RNA) where: Base-Base interactions energy: -1080.260 where: short stacking energy: -475.818 Base-Backbone interact. energy: 3.746 local terms energy: -529.082300 where: bonds (distance) C4'-P energy: -98.721 bonds (distance) P-C4' energy: -110.633 flat angles C4'-P-C4' energy: -123.009 flat angles P-C4'-P energy: -78.018 tors. eta vs tors. theta energy: -118.701 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: 421 Temperature: 1.250000 Total energy: -1347.133616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.133616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.133616 (E_RNA) where: Base-Base interactions energy: -829.927 where: short stacking energy: -357.682 Base-Backbone interact. energy: -0.681 local terms energy: -516.526190 where: bonds (distance) C4'-P energy: -120.667 bonds (distance) P-C4' energy: -127.434 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: -80.536 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: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -754.541169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.541169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.541169 (E_RNA) where: Base-Base interactions energy: -373.505 where: short stacking energy: -216.339 Base-Backbone interact. energy: -0.067 local terms energy: -380.968959 where: bonds (distance) C4'-P energy: -101.115 bonds (distance) P-C4' energy: -121.790 flat angles C4'-P-C4' energy: -98.227 flat angles P-C4'-P energy: -49.759 tors. eta vs tors. theta energy: -10.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -668.910559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.910559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.910559 (E_RNA) where: Base-Base interactions energy: -302.457 where: short stacking energy: -194.841 Base-Backbone interact. energy: -0.569 local terms energy: -365.885024 where: bonds (distance) C4'-P energy: -104.982 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -95.046 flat angles P-C4'-P energy: -64.978 tors. eta vs tors. theta energy: 9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2397.913341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.913341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.913341 (E_RNA) where: Base-Base interactions energy: -1651.710 where: short stacking energy: -722.780 Base-Backbone interact. energy: -4.015 local terms energy: -742.188164 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -137.193 flat angles C4'-P-C4' energy: -159.301 flat angles P-C4'-P energy: -102.011 tors. eta vs tors. theta energy: -211.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2349.232048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.232048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.232048 (E_RNA) where: Base-Base interactions energy: -1631.163 where: short stacking energy: -713.125 Base-Backbone interact. energy: -4.983 local terms energy: -713.086074 where: bonds (distance) C4'-P energy: -127.145 bonds (distance) P-C4' energy: -123.187 flat angles C4'-P-C4' energy: -161.762 flat angles P-C4'-P energy: -89.190 tors. eta vs tors. theta energy: -211.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2268.898134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.898134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.898134 (E_RNA) where: Base-Base interactions energy: -1552.650 where: short stacking energy: -619.938 Base-Backbone interact. energy: -8.438 local terms energy: -707.809382 where: bonds (distance) C4'-P energy: -124.408 bonds (distance) P-C4' energy: -136.165 flat angles C4'-P-C4' energy: -144.077 flat angles P-C4'-P energy: -110.060 tors. eta vs tors. theta energy: -193.099 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: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2144.851375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.851375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.851375 (E_RNA) where: Base-Base interactions energy: -1492.264 where: short stacking energy: -625.346 Base-Backbone interact. energy: 1.443 local terms energy: -654.030647 where: bonds (distance) C4'-P energy: -109.173 bonds (distance) P-C4' energy: -119.694 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -80.579 tors. eta vs tors. theta energy: -191.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2004.896187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.896187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.896187 (E_RNA) where: Base-Base interactions energy: -1354.490 where: short stacking energy: -551.693 Base-Backbone interact. energy: 0.034 local terms energy: -650.439727 where: bonds (distance) C4'-P energy: -124.125 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -148.380 flat angles P-C4'-P energy: -100.800 tors. eta vs tors. theta energy: -161.437 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: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1850.723223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.723223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.723223 (E_RNA) where: Base-Base interactions energy: -1249.823 where: short stacking energy: -531.456 Base-Backbone interact. energy: -2.546 local terms energy: -598.354920 where: bonds (distance) C4'-P energy: -113.245 bonds (distance) P-C4' energy: -115.445 flat angles C4'-P-C4' energy: -117.828 flat angles P-C4'-P energy: -93.820 tors. eta vs tors. theta energy: -158.018 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: 422 Temperature: 1.200000 Total energy: -1525.398947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.398947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.398947 (E_RNA) where: Base-Base interactions energy: -989.160 where: short stacking energy: -417.838 Base-Backbone interact. energy: -4.673 local terms energy: -531.565882 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -119.691 flat angles P-C4'-P energy: -74.919 tors. eta vs tors. theta energy: -93.335 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: 8, replica: 3 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1337.716659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.716659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.716659 (E_RNA) where: Base-Base interactions energy: -855.396 where: short stacking energy: -362.321 Base-Backbone interact. energy: -1.117 local terms energy: -481.203767 where: bonds (distance) C4'-P energy: -112.481 bonds (distance) P-C4' energy: -111.119 flat angles C4'-P-C4' energy: -106.731 flat angles P-C4'-P energy: -61.533 tors. eta vs tors. theta energy: -89.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -771.944402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.944402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.944402 (E_RNA) where: Base-Base interactions energy: -392.164 where: short stacking energy: -245.366 Base-Backbone interact. energy: -0.628 local terms energy: -379.152273 where: bonds (distance) C4'-P energy: -93.478 bonds (distance) P-C4' energy: -114.118 flat angles C4'-P-C4' energy: -106.285 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -17.931 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: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -642.317827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.317827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.317827 (E_RNA) where: Base-Base interactions energy: -279.872 where: short stacking energy: -184.826 Base-Backbone interact. energy: -4.750 local terms energy: -357.695939 where: bonds (distance) C4'-P energy: -114.373 bonds (distance) P-C4' energy: -112.063 flat angles C4'-P-C4' energy: -71.259 flat angles P-C4'-P energy: -64.180 tors. eta vs tors. theta energy: 4.179 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: 1, replica: 1 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2389.800266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.800266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.800266 (E_RNA) where: Base-Base interactions energy: -1654.750 where: short stacking energy: -711.927 Base-Backbone interact. energy: -3.738 local terms energy: -731.312118 where: bonds (distance) C4'-P energy: -132.826 bonds (distance) P-C4' energy: -140.228 flat angles C4'-P-C4' energy: -149.608 flat angles P-C4'-P energy: -94.135 tors. eta vs tors. theta energy: -214.515 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: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2325.898842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.898842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.898842 (E_RNA) where: Base-Base interactions energy: -1607.060 where: short stacking energy: -674.837 Base-Backbone interact. energy: -2.924 local terms energy: -715.915112 where: bonds (distance) C4'-P energy: -121.061 bonds (distance) P-C4' energy: -145.000 flat angles C4'-P-C4' energy: -151.975 flat angles P-C4'-P energy: -93.516 tors. eta vs tors. theta energy: -204.363 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: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2259.995891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.995891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.995891 (E_RNA) where: Base-Base interactions energy: -1562.825 where: short stacking energy: -669.599 Base-Backbone interact. energy: -3.281 local terms energy: -693.889337 where: bonds (distance) C4'-P energy: -125.421 bonds (distance) P-C4' energy: -120.893 flat angles C4'-P-C4' energy: -147.893 flat angles P-C4'-P energy: -98.721 tors. eta vs tors. theta energy: -200.963 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: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2144.349735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.349735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.349735 (E_RNA) where: Base-Base interactions energy: -1455.017 where: short stacking energy: -626.284 Base-Backbone interact. energy: 0.914 local terms energy: -690.246783 where: bonds (distance) C4'-P energy: -134.572 bonds (distance) P-C4' energy: -122.907 flat angles C4'-P-C4' energy: -152.074 flat angles P-C4'-P energy: -83.114 tors. eta vs tors. theta energy: -197.580 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: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1965.716761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.716761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.716761 (E_RNA) where: Base-Base interactions energy: -1338.463 where: short stacking energy: -573.165 Base-Backbone interact. energy: -3.020 local terms energy: -624.233506 where: bonds (distance) C4'-P energy: -121.350 bonds (distance) P-C4' energy: -126.063 flat angles C4'-P-C4' energy: -141.879 flat angles P-C4'-P energy: -77.878 tors. eta vs tors. theta energy: -157.064 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: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1819.548849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.548849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.548849 (E_RNA) where: Base-Base interactions energy: -1221.259 where: short stacking energy: -535.999 Base-Backbone interact. energy: -0.870 local terms energy: -597.420457 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -118.976 flat angles C4'-P-C4' energy: -131.188 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -150.383 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: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1537.868536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.868536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.868536 (E_RNA) where: Base-Base interactions energy: -991.901 where: short stacking energy: -456.610 Base-Backbone interact. energy: -2.483 local terms energy: -543.484861 where: bonds (distance) C4'-P energy: -115.642 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -132.188 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -117.522 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: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1349.884556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.884556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.884556 (E_RNA) where: Base-Base interactions energy: -869.472 where: short stacking energy: -398.403 Base-Backbone interact. energy: 1.994 local terms energy: -482.406109 where: bonds (distance) C4'-P energy: -115.077 bonds (distance) P-C4' energy: -100.668 flat angles C4'-P-C4' energy: -112.812 flat angles P-C4'-P energy: -81.169 tors. eta vs tors. theta energy: -72.680 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: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -819.464534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.464534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.464534 (E_RNA) where: Base-Base interactions energy: -411.482 where: short stacking energy: -249.359 Base-Backbone interact. energy: 1.550 local terms energy: -409.532038 where: bonds (distance) C4'-P energy: -113.177 bonds (distance) P-C4' energy: -109.717 flat angles C4'-P-C4' energy: -88.896 flat angles P-C4'-P energy: -69.173 tors. eta vs tors. theta energy: -28.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -592.344031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.344031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.344031 (E_RNA) where: Base-Base interactions energy: -228.772 where: short stacking energy: -141.918 Base-Backbone interact. energy: 0.843 local terms energy: -364.415316 where: bonds (distance) C4'-P energy: -105.038 bonds (distance) P-C4' energy: -111.806 flat angles C4'-P-C4' energy: -94.227 flat angles P-C4'-P energy: -70.687 tors. eta vs tors. theta energy: 17.342 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: 1, replica: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2383.814346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.814346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.814346 (E_RNA) where: Base-Base interactions energy: -1666.941 where: short stacking energy: -696.679 Base-Backbone interact. energy: -4.578 local terms energy: -712.295566 where: bonds (distance) C4'-P energy: -132.077 bonds (distance) P-C4' energy: -132.318 flat angles C4'-P-C4' energy: -151.858 flat angles P-C4'-P energy: -91.200 tors. eta vs tors. theta energy: -204.843 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: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2344.836379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.836379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.836379 (E_RNA) where: Base-Base interactions energy: -1616.176 where: short stacking energy: -682.657 Base-Backbone interact. energy: -2.870 local terms energy: -725.790311 where: bonds (distance) C4'-P energy: -134.499 bonds (distance) P-C4' energy: -131.955 flat angles C4'-P-C4' energy: -152.959 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -204.976 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: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2237.955732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.955732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.955732 (E_RNA) where: Base-Base interactions energy: -1557.422 where: short stacking energy: -647.837 Base-Backbone interact. energy: -3.277 local terms energy: -677.256945 where: bonds (distance) C4'-P energy: -127.551 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -151.524 flat angles P-C4'-P energy: -87.006 tors. eta vs tors. theta energy: -200.200 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: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2175.464360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.464360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.464360 (E_RNA) where: Base-Base interactions energy: -1494.325 where: short stacking energy: -647.496 Base-Backbone interact. energy: -0.904 local terms energy: -680.235855 where: bonds (distance) C4'-P energy: -119.202 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -91.082 tors. eta vs tors. theta energy: -200.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1967.745699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.745699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.745699 (E_RNA) where: Base-Base interactions energy: -1341.347 where: short stacking energy: -553.186 Base-Backbone interact. energy: -2.468 local terms energy: -623.930557 where: bonds (distance) C4'-P energy: -113.767 bonds (distance) P-C4' energy: -122.146 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -85.256 tors. eta vs tors. theta energy: -172.976 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: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1864.359243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.359243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.359243 (E_RNA) where: Base-Base interactions energy: -1267.791 where: short stacking energy: -542.376 Base-Backbone interact. energy: -2.511 local terms energy: -594.056748 where: bonds (distance) C4'-P energy: -99.457 bonds (distance) P-C4' energy: -137.450 flat angles C4'-P-C4' energy: -121.634 flat angles P-C4'-P energy: -83.947 tors. eta vs tors. theta energy: -151.569 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: 7, replica: 9 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1502.528040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.528040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.528040 (E_RNA) where: Base-Base interactions energy: -973.109 where: short stacking energy: -439.997 Base-Backbone interact. energy: 2.986 local terms energy: -532.405366 where: bonds (distance) C4'-P energy: -109.551 bonds (distance) P-C4' energy: -116.217 flat angles C4'-P-C4' energy: -128.863 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -103.685 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: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1306.547125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.547125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.547125 (E_RNA) where: Base-Base interactions energy: -855.892 where: short stacking energy: -388.167 Base-Backbone interact. energy: -0.299 local terms energy: -450.355839 where: bonds (distance) C4'-P energy: -109.886 bonds (distance) P-C4' energy: -104.482 flat angles C4'-P-C4' energy: -101.852 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -73.253 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: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -799.883076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.883076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.883076 (E_RNA) where: Base-Base interactions energy: -416.960 where: short stacking energy: -200.620 Base-Backbone interact. energy: 0.846 local terms energy: -383.769809 where: bonds (distance) C4'-P energy: -97.878 bonds (distance) P-C4' energy: -107.471 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -11.323 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: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -622.023315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.023315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.023315 (E_RNA) where: Base-Base interactions energy: -233.653 where: short stacking energy: -156.135 Base-Backbone interact. energy: -0.807 local terms energy: -387.562682 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -120.490 flat angles C4'-P-C4' energy: -116.166 flat angles P-C4'-P energy: -54.963 tors. eta vs tors. theta energy: 10.088 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: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2417.220582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.220582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.220582 (E_RNA) where: Base-Base interactions energy: -1668.560 where: short stacking energy: -727.725 Base-Backbone interact. energy: -1.226 local terms energy: -747.434628 where: bonds (distance) C4'-P energy: -136.890 bonds (distance) P-C4' energy: -134.016 flat angles C4'-P-C4' energy: -148.940 flat angles P-C4'-P energy: -111.023 tors. eta vs tors. theta energy: -216.566 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2342.539668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.539668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.539668 (E_RNA) where: Base-Base interactions energy: -1639.948 where: short stacking energy: -686.348 Base-Backbone interact. energy: -2.268 local terms energy: -700.323455 where: bonds (distance) C4'-P energy: -124.227 bonds (distance) P-C4' energy: -120.109 flat angles C4'-P-C4' energy: -161.603 flat angles P-C4'-P energy: -89.953 tors. eta vs tors. theta energy: -204.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2221.370739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.370739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.370739 (E_RNA) where: Base-Base interactions energy: -1527.084 where: short stacking energy: -671.384 Base-Backbone interact. energy: -0.725 local terms energy: -693.561228 where: bonds (distance) C4'-P energy: -114.431 bonds (distance) P-C4' energy: -133.698 flat angles C4'-P-C4' energy: -144.718 flat angles P-C4'-P energy: -94.632 tors. eta vs tors. theta energy: -206.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2153.698049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.698049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.698049 (E_RNA) where: Base-Base interactions energy: -1466.540 where: short stacking energy: -640.849 Base-Backbone interact. energy: -2.009 local terms energy: -685.149197 where: bonds (distance) C4'-P energy: -123.111 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -151.896 flat angles P-C4'-P energy: -85.452 tors. eta vs tors. theta energy: -195.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1990.224106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.224106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.224106 (E_RNA) where: Base-Base interactions energy: -1346.001 where: short stacking energy: -598.132 Base-Backbone interact. energy: -1.238 local terms energy: -642.984300 where: bonds (distance) C4'-P energy: -107.782 bonds (distance) P-C4' energy: -132.099 flat angles C4'-P-C4' energy: -146.532 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -171.567 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: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1833.518147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.518147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.518147 (E_RNA) where: Base-Base interactions energy: -1265.055 where: short stacking energy: -539.936 Base-Backbone interact. energy: 4.170 local terms energy: -572.634010 where: bonds (distance) C4'-P energy: -107.326 bonds (distance) P-C4' energy: -107.922 flat angles C4'-P-C4' energy: -125.492 flat angles P-C4'-P energy: -86.225 tors. eta vs tors. theta energy: -145.669 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: 9 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1538.391065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.391065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.391065 (E_RNA) where: Base-Base interactions energy: -1004.283 where: short stacking energy: -481.628 Base-Backbone interact. energy: 1.564 local terms energy: -535.672555 where: bonds (distance) C4'-P energy: -109.286 bonds (distance) P-C4' energy: -110.828 flat angles C4'-P-C4' energy: -126.438 flat angles P-C4'-P energy: -78.076 tors. eta vs tors. theta energy: -111.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1290.435032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.435032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.435032 (E_RNA) where: Base-Base interactions energy: -820.163 where: short stacking energy: -381.161 Base-Backbone interact. energy: 4.906 local terms energy: -475.177824 where: bonds (distance) C4'-P energy: -114.248 bonds (distance) P-C4' energy: -119.004 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -73.197 tors. eta vs tors. theta energy: -69.636 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: 6 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -773.631797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.631797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.631797 (E_RNA) where: Base-Base interactions energy: -402.664 where: short stacking energy: -238.243 Base-Backbone interact. energy: -0.866 local terms energy: -370.102565 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -108.774 flat angles C4'-P-C4' energy: -101.772 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -12.632 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: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -628.144981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.144981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.144981 (E_RNA) where: Base-Base interactions energy: -293.629 where: short stacking energy: -206.618 Base-Backbone interact. energy: -1.148 local terms energy: -333.367868 where: bonds (distance) C4'-P energy: -88.692 bonds (distance) P-C4' energy: -95.997 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: 2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2382.702126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.702126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.702126 (E_RNA) where: Base-Base interactions energy: -1651.435 where: short stacking energy: -701.427 Base-Backbone interact. energy: -2.262 local terms energy: -729.004921 where: bonds (distance) C4'-P energy: -123.727 bonds (distance) P-C4' energy: -135.035 flat angles C4'-P-C4' energy: -161.665 flat angles P-C4'-P energy: -99.342 tors. eta vs tors. theta energy: -209.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2329.980295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.980295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.980295 (E_RNA) where: Base-Base interactions energy: -1616.752 where: short stacking energy: -701.297 Base-Backbone interact. energy: -1.954 local terms energy: -711.273382 where: bonds (distance) C4'-P energy: -129.395 bonds (distance) P-C4' energy: -140.434 flat angles C4'-P-C4' energy: -152.189 flat angles P-C4'-P energy: -88.560 tors. eta vs tors. theta energy: -200.695 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: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2191.530305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.530305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.530305 (E_RNA) where: Base-Base interactions energy: -1502.499 where: short stacking energy: -662.704 Base-Backbone interact. energy: -2.871 local terms energy: -686.159860 where: bonds (distance) C4'-P energy: -115.951 bonds (distance) P-C4' energy: -130.625 flat angles C4'-P-C4' energy: -161.262 flat angles P-C4'-P energy: -89.392 tors. eta vs tors. theta energy: -188.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2180.240887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.240887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.240887 (E_RNA) where: Base-Base interactions energy: -1480.433 where: short stacking energy: -618.477 Base-Backbone interact. energy: 0.424 local terms energy: -700.232170 where: bonds (distance) C4'-P energy: -122.962 bonds (distance) P-C4' energy: -132.006 flat angles C4'-P-C4' energy: -145.682 flat angles P-C4'-P energy: -102.241 tors. eta vs tors. theta energy: -197.341 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: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1991.151793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.151793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.151793 (E_RNA) where: Base-Base interactions energy: -1345.792 where: short stacking energy: -570.204 Base-Backbone interact. energy: -4.117 local terms energy: -641.243649 where: bonds (distance) C4'-P energy: -120.183 bonds (distance) P-C4' energy: -124.746 flat angles C4'-P-C4' energy: -147.798 flat angles P-C4'-P energy: -75.530 tors. eta vs tors. theta energy: -172.987 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: 6, replica: 8 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1825.021108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.021108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.021108 (E_RNA) where: Base-Base interactions energy: -1252.727 where: short stacking energy: -501.102 Base-Backbone interact. energy: -0.580 local terms energy: -571.713855 where: bonds (distance) C4'-P energy: -117.066 bonds (distance) P-C4' energy: -108.486 flat angles C4'-P-C4' energy: -134.832 flat angles P-C4'-P energy: -82.752 tors. eta vs tors. theta energy: -128.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1425.957656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.957656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.957656 (E_RNA) where: Base-Base interactions energy: -914.543 where: short stacking energy: -407.197 Base-Backbone interact. energy: -4.468 local terms energy: -506.946819 where: bonds (distance) C4'-P energy: -114.428 bonds (distance) P-C4' energy: -111.149 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -98.164 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: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1468.074865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.074865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.074865 (E_RNA) where: Base-Base interactions energy: -978.915 where: short stacking energy: -389.761 Base-Backbone interact. energy: -4.222 local terms energy: -484.937495 where: bonds (distance) C4'-P energy: -109.627 bonds (distance) P-C4' energy: -114.692 flat angles C4'-P-C4' energy: -116.784 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -67.322 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: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -747.521026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.521026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.521026 (E_RNA) where: Base-Base interactions energy: -375.507 where: short stacking energy: -220.181 Base-Backbone interact. energy: 5.769 local terms energy: -377.783428 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -112.770 flat angles C4'-P-C4' energy: -87.426 flat angles P-C4'-P energy: -71.860 tors. eta vs tors. theta energy: -3.968 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: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -641.888247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.888247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.888247 (E_RNA) where: Base-Base interactions energy: -286.310 where: short stacking energy: -186.523 Base-Backbone interact. energy: -1.364 local terms energy: -354.214634 where: bonds (distance) C4'-P energy: -85.849 bonds (distance) P-C4' energy: -116.011 flat angles C4'-P-C4' energy: -97.524 flat angles P-C4'-P energy: -49.944 tors. eta vs tors. theta energy: -4.886 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: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2386.120246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.120246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.120246 (E_RNA) where: Base-Base interactions energy: -1653.965 where: short stacking energy: -708.791 Base-Backbone interact. energy: -3.970 local terms energy: -728.184807 where: bonds (distance) C4'-P energy: -128.494 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -152.399 flat angles P-C4'-P energy: -98.683 tors. eta vs tors. theta energy: -214.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2318.018553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.018553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.018553 (E_RNA) where: Base-Base interactions energy: -1600.440 where: short stacking energy: -674.765 Base-Backbone interact. energy: -0.148 local terms energy: -717.430457 where: bonds (distance) C4'-P energy: -138.905 bonds (distance) P-C4' energy: -134.119 flat angles C4'-P-C4' energy: -152.207 flat angles P-C4'-P energy: -90.500 tors. eta vs tors. theta energy: -201.700 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: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2218.275995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.275995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.275995 (E_RNA) where: Base-Base interactions energy: -1503.660 where: short stacking energy: -662.841 Base-Backbone interact. energy: -4.674 local terms energy: -709.942103 where: bonds (distance) C4'-P energy: -122.615 bonds (distance) P-C4' energy: -125.875 flat angles C4'-P-C4' energy: -150.737 flat angles P-C4'-P energy: -103.175 tors. eta vs tors. theta energy: -207.540 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: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2158.739566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.739566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.739566 (E_RNA) where: Base-Base interactions energy: -1494.369 where: short stacking energy: -629.036 Base-Backbone interact. energy: -0.074 local terms energy: -664.296531 where: bonds (distance) C4'-P energy: -110.360 bonds (distance) P-C4' energy: -125.194 flat angles C4'-P-C4' energy: -152.696 flat angles P-C4'-P energy: -84.518 tors. eta vs tors. theta energy: -191.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2042.834035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.834035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.834035 (E_RNA) where: Base-Base interactions energy: -1404.384 where: short stacking energy: -570.558 Base-Backbone interact. energy: 0.821 local terms energy: -639.271130 where: bonds (distance) C4'-P energy: -117.752 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -138.545 flat angles P-C4'-P energy: -96.256 tors. eta vs tors. theta energy: -167.019 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: 6, replica: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1824.346713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.346713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.346713 (E_RNA) where: Base-Base interactions energy: -1223.065 where: short stacking energy: -519.764 Base-Backbone interact. energy: -1.146 local terms energy: -600.135619 where: bonds (distance) C4'-P energy: -120.724 bonds (distance) P-C4' energy: -117.497 flat angles C4'-P-C4' energy: -140.563 flat angles P-C4'-P energy: -80.754 tors. eta vs tors. theta energy: -140.598 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: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1468.924984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.924984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.924984 (E_RNA) where: Base-Base interactions energy: -942.215 where: short stacking energy: -426.472 Base-Backbone interact. energy: -3.325 local terms energy: -523.384838 where: bonds (distance) C4'-P energy: -98.546 bonds (distance) P-C4' energy: -122.561 flat angles C4'-P-C4' energy: -120.285 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -111.867 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: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1468.849095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.849095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.849095 (E_RNA) where: Base-Base interactions energy: -959.016 where: short stacking energy: -392.681 Base-Backbone interact. energy: -0.708 local terms energy: -509.125864 where: bonds (distance) C4'-P energy: -107.447 bonds (distance) P-C4' energy: -111.669 flat angles C4'-P-C4' energy: -117.196 flat angles P-C4'-P energy: -80.502 tors. eta vs tors. theta energy: -92.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -761.997463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.997463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.997463 (E_RNA) where: Base-Base interactions energy: -340.558 where: short stacking energy: -214.460 Base-Backbone interact. energy: 0.060 local terms energy: -421.499726 where: bonds (distance) C4'-P energy: -118.724 bonds (distance) P-C4' energy: -113.084 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -76.156 tors. eta vs tors. theta energy: -12.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -605.980205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.980205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.980205 (E_RNA) where: Base-Base interactions energy: -269.609 where: short stacking energy: -146.916 Base-Backbone interact. energy: -1.745 local terms energy: -334.626398 where: bonds (distance) C4'-P energy: -112.668 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -87.321 flat angles P-C4'-P energy: -45.251 tors. eta vs tors. theta energy: 21.527 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: 1, replica: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2404.436154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.436154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.436154 (E_RNA) where: Base-Base interactions energy: -1660.665 where: short stacking energy: -701.584 Base-Backbone interact. energy: 3.853 local terms energy: -747.623782 where: bonds (distance) C4'-P energy: -138.812 bonds (distance) P-C4' energy: -136.687 flat angles C4'-P-C4' energy: -152.087 flat angles P-C4'-P energy: -108.361 tors. eta vs tors. theta energy: -211.677 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: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2332.665177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.665177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.665177 (E_RNA) where: Base-Base interactions energy: -1617.824 where: short stacking energy: -672.458 Base-Backbone interact. energy: 3.511 local terms energy: -718.352105 where: bonds (distance) C4'-P energy: -121.374 bonds (distance) P-C4' energy: -133.166 flat angles C4'-P-C4' energy: -165.352 flat angles P-C4'-P energy: -106.605 tors. eta vs tors. theta energy: -191.856 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: 2 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2229.098480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.098480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.098480 (E_RNA) where: Base-Base interactions energy: -1540.197 where: short stacking energy: -654.115 Base-Backbone interact. energy: -0.981 local terms energy: -687.920953 where: bonds (distance) C4'-P energy: -118.637 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -144.325 flat angles P-C4'-P energy: -88.767 tors. eta vs tors. theta energy: -206.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2187.980831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.980831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.980831 (E_RNA) where: Base-Base interactions energy: -1491.479 where: short stacking energy: -641.425 Base-Backbone interact. energy: -2.891 local terms energy: -693.610093 where: bonds (distance) C4'-P energy: -122.547 bonds (distance) P-C4' energy: -132.033 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -95.778 tors. eta vs tors. theta energy: -198.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1990.399565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.399565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.399565 (E_RNA) where: Base-Base interactions energy: -1367.944 where: short stacking energy: -558.131 Base-Backbone interact. energy: -1.974 local terms energy: -620.481714 where: bonds (distance) C4'-P energy: -118.739 bonds (distance) P-C4' energy: -121.941 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -79.763 tors. eta vs tors. theta energy: -157.984 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: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1838.214362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.214362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.214362 (E_RNA) where: Base-Base interactions energy: -1261.110 where: short stacking energy: -513.670 Base-Backbone interact. energy: -4.040 local terms energy: -573.063985 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -126.249 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -147.381 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: 7, replica: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1468.718958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.718958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.718958 (E_RNA) where: Base-Base interactions energy: -932.601 where: short stacking energy: -418.362 Base-Backbone interact. energy: -0.492 local terms energy: -535.626363 where: bonds (distance) C4'-P energy: -109.725 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -125.355 flat angles P-C4'-P energy: -78.345 tors. eta vs tors. theta energy: -99.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1401.456038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.456038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.456038 (E_RNA) where: Base-Base interactions energy: -914.059 where: short stacking energy: -413.389 Base-Backbone interact. energy: -4.350 local terms energy: -483.046940 where: bonds (distance) C4'-P energy: -116.799 bonds (distance) P-C4' energy: -114.494 flat angles C4'-P-C4' energy: -113.702 flat angles P-C4'-P energy: -67.182 tors. eta vs tors. theta energy: -70.870 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: 9, replica: 6 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -757.316560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.316560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.316560 (E_RNA) where: Base-Base interactions energy: -374.168 where: short stacking energy: -213.201 Base-Backbone interact. energy: 0.072 local terms energy: -383.220530 where: bonds (distance) C4'-P energy: -115.394 bonds (distance) P-C4' energy: -105.943 flat angles C4'-P-C4' energy: -104.427 flat angles P-C4'-P energy: -39.446 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -618.030050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.030050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.030050 (E_RNA) where: Base-Base interactions energy: -281.204 where: short stacking energy: -165.742 Base-Backbone interact. energy: 0.415 local terms energy: -337.240708 where: bonds (distance) C4'-P energy: -103.996 bonds (distance) P-C4' energy: -106.928 flat angles C4'-P-C4' energy: -83.525 flat angles P-C4'-P energy: -62.857 tors. eta vs tors. theta energy: 20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2390.035576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.035576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.035576 (E_RNA) where: Base-Base interactions energy: -1667.659 where: short stacking energy: -703.032 Base-Backbone interact. energy: -3.815 local terms energy: -718.562121 where: bonds (distance) C4'-P energy: -134.033 bonds (distance) P-C4' energy: -141.923 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -100.059 tors. eta vs tors. theta energy: -209.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2354.688532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.688532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.688532 (E_RNA) where: Base-Base interactions energy: -1623.583 where: short stacking energy: -686.511 Base-Backbone interact. energy: -1.936 local terms energy: -729.169188 where: bonds (distance) C4'-P energy: -137.514 bonds (distance) P-C4' energy: -134.715 flat angles C4'-P-C4' energy: -158.588 flat angles P-C4'-P energy: -84.799 tors. eta vs tors. theta energy: -213.553 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: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2236.470292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.470292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.470292 (E_RNA) where: Base-Base interactions energy: -1525.682 where: short stacking energy: -646.655 Base-Backbone interact. energy: -2.415 local terms energy: -708.372726 where: bonds (distance) C4'-P energy: -132.766 bonds (distance) P-C4' energy: -125.949 flat angles C4'-P-C4' energy: -140.258 flat angles P-C4'-P energy: -98.195 tors. eta vs tors. theta energy: -211.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2117.239130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.239130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.239130 (E_RNA) where: Base-Base interactions energy: -1445.526 where: short stacking energy: -618.087 Base-Backbone interact. energy: -2.727 local terms energy: -668.985638 where: bonds (distance) C4'-P energy: -134.555 bonds (distance) P-C4' energy: -118.288 flat angles C4'-P-C4' energy: -153.237 flat angles P-C4'-P energy: -85.449 tors. eta vs tors. theta energy: -177.456 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: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1932.318473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.318473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.318473 (E_RNA) where: Base-Base interactions energy: -1344.241 where: short stacking energy: -547.903 Base-Backbone interact. energy: 0.839 local terms energy: -588.915902 where: bonds (distance) C4'-P energy: -96.533 bonds (distance) P-C4' energy: -108.502 flat angles C4'-P-C4' energy: -131.273 flat angles P-C4'-P energy: -94.548 tors. eta vs tors. theta energy: -158.060 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: 8 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1735.959189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.959189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.959189 (E_RNA) where: Base-Base interactions energy: -1165.222 where: short stacking energy: -503.402 Base-Backbone interact. energy: -0.886 local terms energy: -569.851542 where: bonds (distance) C4'-P energy: -113.493 bonds (distance) P-C4' energy: -116.647 flat angles C4'-P-C4' energy: -122.625 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -139.241 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: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1411.800465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.800465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.800465 (E_RNA) where: Base-Base interactions energy: -901.413 where: short stacking energy: -419.688 Base-Backbone interact. energy: 1.602 local terms energy: -511.989679 where: bonds (distance) C4'-P energy: -125.992 bonds (distance) P-C4' energy: -106.346 flat angles C4'-P-C4' energy: -117.154 flat angles P-C4'-P energy: -67.893 tors. eta vs tors. theta energy: -94.605 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: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1404.776329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.776329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.776329 (E_RNA) where: Base-Base interactions energy: -935.312 where: short stacking energy: -382.310 Base-Backbone interact. energy: -2.179 local terms energy: -467.284641 where: bonds (distance) C4'-P energy: -112.500 bonds (distance) P-C4' energy: -102.183 flat angles C4'-P-C4' energy: -109.909 flat angles P-C4'-P energy: -73.212 tors. eta vs tors. theta energy: -69.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -807.370744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.370744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.370744 (E_RNA) where: Base-Base interactions energy: -428.503 where: short stacking energy: -257.735 Base-Backbone interact. energy: 0.724 local terms energy: -379.591913 where: bonds (distance) C4'-P energy: -78.034 bonds (distance) P-C4' energy: -108.829 flat angles C4'-P-C4' energy: -107.228 flat angles P-C4'-P energy: -60.903 tors. eta vs tors. theta energy: -24.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -633.265485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.265485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.265485 (E_RNA) where: Base-Base interactions energy: -304.953 where: short stacking energy: -187.187 Base-Backbone interact. energy: 2.107 local terms energy: -330.418802 where: bonds (distance) C4'-P energy: -103.875 bonds (distance) P-C4' energy: -104.318 flat angles C4'-P-C4' energy: -89.889 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: 17.211 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: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2372.171078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.171078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.171078 (E_RNA) where: Base-Base interactions energy: -1658.541 where: short stacking energy: -684.774 Base-Backbone interact. energy: 0.139 local terms energy: -713.769101 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -117.580 flat angles C4'-P-C4' energy: -150.374 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -203.788 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: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2351.942644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.942644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.942644 (E_RNA) where: Base-Base interactions energy: -1637.202 where: short stacking energy: -689.521 Base-Backbone interact. energy: -2.452 local terms energy: -712.288797 where: bonds (distance) C4'-P energy: -120.509 bonds (distance) P-C4' energy: -131.869 flat angles C4'-P-C4' energy: -150.349 flat angles P-C4'-P energy: -97.836 tors. eta vs tors. theta energy: -211.725 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: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2203.708781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.708781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.708781 (E_RNA) where: Base-Base interactions energy: -1517.525 where: short stacking energy: -668.148 Base-Backbone interact. energy: -1.089 local terms energy: -685.094952 where: bonds (distance) C4'-P energy: -117.460 bonds (distance) P-C4' energy: -134.037 flat angles C4'-P-C4' energy: -149.259 flat angles P-C4'-P energy: -86.743 tors. eta vs tors. theta energy: -197.595 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: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2151.720364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.720364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.720364 (E_RNA) where: Base-Base interactions energy: -1469.823 where: short stacking energy: -648.678 Base-Backbone interact. energy: 1.273 local terms energy: -683.170187 where: bonds (distance) C4'-P energy: -132.010 bonds (distance) P-C4' energy: -115.268 flat angles C4'-P-C4' energy: -146.078 flat angles P-C4'-P energy: -97.311 tors. eta vs tors. theta energy: -192.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1966.264457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.264457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.264457 (E_RNA) where: Base-Base interactions energy: -1313.001 where: short stacking energy: -559.129 Base-Backbone interact. energy: -2.343 local terms energy: -650.921274 where: bonds (distance) C4'-P energy: -116.551 bonds (distance) P-C4' energy: -128.926 flat angles C4'-P-C4' energy: -143.575 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -167.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1770.152321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.152321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.152321 (E_RNA) where: Base-Base interactions energy: -1187.533 where: short stacking energy: -476.280 Base-Backbone interact. energy: -3.908 local terms energy: -578.711667 where: bonds (distance) C4'-P energy: -114.363 bonds (distance) P-C4' energy: -120.422 flat angles C4'-P-C4' energy: -127.818 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -133.148 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: 7, replica: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1388.950603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.950603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.950603 (E_RNA) where: Base-Base interactions energy: -862.588 where: short stacking energy: -391.227 Base-Backbone interact. energy: 4.251 local terms energy: -530.614156 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -125.349 flat angles C4'-P-C4' energy: -134.028 flat angles P-C4'-P energy: -79.560 tors. eta vs tors. theta energy: -85.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1433.085310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.085310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.085310 (E_RNA) where: Base-Base interactions energy: -941.979 where: short stacking energy: -396.804 Base-Backbone interact. energy: -0.133 local terms energy: -490.972764 where: bonds (distance) C4'-P energy: -116.846 bonds (distance) P-C4' energy: -116.641 flat angles C4'-P-C4' energy: -103.581 flat angles P-C4'-P energy: -72.562 tors. eta vs tors. theta energy: -81.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -799.601192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.601192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.601192 (E_RNA) where: Base-Base interactions energy: -422.581 where: short stacking energy: -245.721 Base-Backbone interact. energy: 1.501 local terms energy: -378.521173 where: bonds (distance) C4'-P energy: -92.246 bonds (distance) P-C4' energy: -130.151 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -43.201 tors. eta vs tors. theta energy: -19.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -673.379260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.379260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.379260 (E_RNA) where: Base-Base interactions energy: -315.268 where: short stacking energy: -173.553 Base-Backbone interact. energy: 0.659 local terms energy: -358.770924 where: bonds (distance) C4'-P energy: -94.524 bonds (distance) P-C4' energy: -118.787 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -46.735 tors. eta vs tors. theta energy: 8.507 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: 1, replica: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2366.168327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.168327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.168327 (E_RNA) where: Base-Base interactions energy: -1638.354 where: short stacking energy: -695.898 Base-Backbone interact. energy: -2.181 local terms energy: -725.633961 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -138.878 flat angles C4'-P-C4' energy: -154.389 flat angles P-C4'-P energy: -95.375 tors. eta vs tors. theta energy: -197.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2346.060984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.060984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.060984 (E_RNA) where: Base-Base interactions energy: -1625.856 where: short stacking energy: -710.556 Base-Backbone interact. energy: -3.330 local terms energy: -716.875061 where: bonds (distance) C4'-P energy: -133.228 bonds (distance) P-C4' energy: -130.903 flat angles C4'-P-C4' energy: -159.617 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -202.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2192.738078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.738078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.738078 (E_RNA) where: Base-Base interactions energy: -1521.258 where: short stacking energy: -631.477 Base-Backbone interact. energy: -0.426 local terms energy: -671.053711 where: bonds (distance) C4'-P energy: -118.074 bonds (distance) P-C4' energy: -121.710 flat angles C4'-P-C4' energy: -141.420 flat angles P-C4'-P energy: -98.253 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: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2150.655427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.655427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.655427 (E_RNA) where: Base-Base interactions energy: -1477.217 where: short stacking energy: -644.054 Base-Backbone interact. energy: -1.628 local terms energy: -671.811302 where: bonds (distance) C4'-P energy: -115.801 bonds (distance) P-C4' energy: -108.266 flat angles C4'-P-C4' energy: -143.945 flat angles P-C4'-P energy: -103.243 tors. eta vs tors. theta energy: -200.556 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: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1940.693890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.693890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.693890 (E_RNA) where: Base-Base interactions energy: -1315.177 where: short stacking energy: -552.466 Base-Backbone interact. energy: -2.414 local terms energy: -623.103237 where: bonds (distance) C4'-P energy: -115.077 bonds (distance) P-C4' energy: -118.503 flat angles C4'-P-C4' energy: -144.910 flat angles P-C4'-P energy: -86.159 tors. eta vs tors. theta energy: -158.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1753.415365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.415365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.415365 (E_RNA) where: Base-Base interactions energy: -1170.842 where: short stacking energy: -472.388 Base-Backbone interact. energy: 3.073 local terms energy: -585.647313 where: bonds (distance) C4'-P energy: -122.700 bonds (distance) P-C4' energy: -115.764 flat angles C4'-P-C4' energy: -131.517 flat angles P-C4'-P energy: -88.859 tors. eta vs tors. theta energy: -126.807 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: 7, replica: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1491.334733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.334733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.334733 (E_RNA) where: Base-Base interactions energy: -965.188 where: short stacking energy: -429.459 Base-Backbone interact. energy: 2.200 local terms energy: -528.346862 where: bonds (distance) C4'-P energy: -82.461 bonds (distance) P-C4' energy: -109.886 flat angles C4'-P-C4' energy: -126.911 flat angles P-C4'-P energy: -92.506 tors. eta vs tors. theta energy: -116.582 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: 431 Temperature: 1.250000 Total energy: -1390.524874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.524874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.524874 (E_RNA) where: Base-Base interactions energy: -906.434 where: short stacking energy: -418.178 Base-Backbone interact. energy: 0.497 local terms energy: -484.587933 where: bonds (distance) C4'-P energy: -102.888 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -113.572 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -79.971 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: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -829.290879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.290879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.290879 (E_RNA) where: Base-Base interactions energy: -437.715 where: short stacking energy: -253.208 Base-Backbone interact. energy: 0.784 local terms energy: -392.359610 where: bonds (distance) C4'-P energy: -113.074 bonds (distance) P-C4' energy: -103.514 flat angles C4'-P-C4' energy: -99.611 flat angles P-C4'-P energy: -50.867 tors. eta vs tors. theta energy: -25.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -647.533862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.533862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.533862 (E_RNA) where: Base-Base interactions energy: -296.801 where: short stacking energy: -171.314 Base-Backbone interact. energy: -6.190 local terms energy: -344.542366 where: bonds (distance) C4'-P energy: -90.037 bonds (distance) P-C4' energy: -119.723 flat angles C4'-P-C4' energy: -100.111 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: 7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2374.680132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.680132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.680132 (E_RNA) where: Base-Base interactions energy: -1647.056 where: short stacking energy: -702.362 Base-Backbone interact. energy: -5.073 local terms energy: -722.551671 where: bonds (distance) C4'-P energy: -128.628 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -150.562 flat angles P-C4'-P energy: -98.060 tors. eta vs tors. theta energy: -211.697 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: 432 Temperature: 0.950000 Total energy: -2341.222120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.222120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.222120 (E_RNA) where: Base-Base interactions energy: -1610.370 where: short stacking energy: -690.880 Base-Backbone interact. energy: -2.925 local terms energy: -727.927563 where: bonds (distance) C4'-P energy: -124.003 bonds (distance) P-C4' energy: -135.975 flat angles C4'-P-C4' energy: -148.996 flat angles P-C4'-P energy: -108.346 tors. eta vs tors. theta energy: -210.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2191.886424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.886424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.886424 (E_RNA) where: Base-Base interactions energy: -1517.156 where: short stacking energy: -642.031 Base-Backbone interact. energy: 0.167 local terms energy: -674.897113 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -127.015 flat angles C4'-P-C4' energy: -143.838 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -196.573 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: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2166.917611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.917611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.917611 (E_RNA) where: Base-Base interactions energy: -1506.798 where: short stacking energy: -648.909 Base-Backbone interact. energy: -2.037 local terms energy: -658.082137 where: bonds (distance) C4'-P energy: -114.659 bonds (distance) P-C4' energy: -120.016 flat angles C4'-P-C4' energy: -135.292 flat angles P-C4'-P energy: -95.318 tors. eta vs tors. theta energy: -192.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1958.454934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.454934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.454934 (E_RNA) where: Base-Base interactions energy: -1308.546 where: short stacking energy: -536.606 Base-Backbone interact. energy: -1.791 local terms energy: -648.118116 where: bonds (distance) C4'-P energy: -127.695 bonds (distance) P-C4' energy: -122.131 flat angles C4'-P-C4' energy: -146.921 flat angles P-C4'-P energy: -82.801 tors. eta vs tors. theta energy: -168.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1825.076551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.076551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.076551 (E_RNA) where: Base-Base interactions energy: -1235.418 where: short stacking energy: -511.408 Base-Backbone interact. energy: -4.025 local terms energy: -585.632794 where: bonds (distance) C4'-P energy: -114.869 bonds (distance) P-C4' energy: -117.818 flat angles C4'-P-C4' energy: -119.526 flat angles P-C4'-P energy: -87.173 tors. eta vs tors. theta energy: -146.247 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: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1545.213050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.213050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.213050 (E_RNA) where: Base-Base interactions energy: -1043.029 where: short stacking energy: -465.466 Base-Backbone interact. energy: -1.364 local terms energy: -500.819932 where: bonds (distance) C4'-P energy: -102.730 bonds (distance) P-C4' energy: -102.982 flat angles C4'-P-C4' energy: -106.873 flat angles P-C4'-P energy: -71.288 tors. eta vs tors. theta energy: -116.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1465.719878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.719878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.719878 (E_RNA) where: Base-Base interactions energy: -951.051 where: short stacking energy: -412.705 Base-Backbone interact. energy: 0.128 local terms energy: -514.797141 where: bonds (distance) C4'-P energy: -98.495 bonds (distance) P-C4' energy: -113.720 flat angles C4'-P-C4' energy: -131.051 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -95.768 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: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -774.343611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.343611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.343611 (E_RNA) where: Base-Base interactions energy: -398.855 where: short stacking energy: -234.106 Base-Backbone interact. energy: -0.860 local terms energy: -374.628101 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -102.679 flat angles C4'-P-C4' energy: -109.372 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -4.030 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: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -679.698736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.698736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.698736 (E_RNA) where: Base-Base interactions energy: -321.343 where: short stacking energy: -195.896 Base-Backbone interact. energy: -0.105 local terms energy: -358.251103 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -102.773 flat angles C4'-P-C4' energy: -95.608 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: 14.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2374.287534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.287534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.287534 (E_RNA) where: Base-Base interactions energy: -1655.402 where: short stacking energy: -690.536 Base-Backbone interact. energy: 1.242 local terms energy: -720.127569 where: bonds (distance) C4'-P energy: -133.840 bonds (distance) P-C4' energy: -133.810 flat angles C4'-P-C4' energy: -149.543 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -200.200 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: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2332.813619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.813619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.813619 (E_RNA) where: Base-Base interactions energy: -1615.079 where: short stacking energy: -692.100 Base-Backbone interact. energy: -1.150 local terms energy: -716.585348 where: bonds (distance) C4'-P energy: -131.899 bonds (distance) P-C4' energy: -124.939 flat angles C4'-P-C4' energy: -159.874 flat angles P-C4'-P energy: -96.547 tors. eta vs tors. theta energy: -203.326 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: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2200.638948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.638948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.638948 (E_RNA) where: Base-Base interactions energy: -1492.857 where: short stacking energy: -648.879 Base-Backbone interact. energy: -2.025 local terms energy: -705.756908 where: bonds (distance) C4'-P energy: -123.718 bonds (distance) P-C4' energy: -121.371 flat angles C4'-P-C4' energy: -160.693 flat angles P-C4'-P energy: -99.099 tors. eta vs tors. theta energy: -200.876 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: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2202.496100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.496100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.496100 (E_RNA) where: Base-Base interactions energy: -1520.853 where: short stacking energy: -683.932 Base-Backbone interact. energy: -0.749 local terms energy: -680.894083 where: bonds (distance) C4'-P energy: -105.319 bonds (distance) P-C4' energy: -108.087 flat angles C4'-P-C4' energy: -152.386 flat angles P-C4'-P energy: -100.317 tors. eta vs tors. theta energy: -214.784 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: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1907.323056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.323056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.323056 (E_RNA) where: Base-Base interactions energy: -1261.378 where: short stacking energy: -521.753 Base-Backbone interact. energy: -3.086 local terms energy: -642.858891 where: bonds (distance) C4'-P energy: -124.593 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -153.086 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: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1857.396670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.396670 (E_RNA) where: Base-Base interactions energy: -1320.637 where: short stacking energy: -549.762 Base-Backbone interact. energy: -0.810 local terms energy: -535.949911 where: bonds (distance) C4'-P energy: -98.939 bonds (distance) P-C4' energy: -108.255 flat angles C4'-P-C4' energy: -117.864 flat angles P-C4'-P energy: -70.916 tors. eta vs tors. theta energy: -139.977 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: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1513.936292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.936292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.936292 (E_RNA) where: Base-Base interactions energy: -984.647 where: short stacking energy: -430.106 Base-Backbone interact. energy: -3.026 local terms energy: -526.263377 where: bonds (distance) C4'-P energy: -101.944 bonds (distance) P-C4' energy: -122.093 flat angles C4'-P-C4' energy: -129.103 flat angles P-C4'-P energy: -68.089 tors. eta vs tors. theta energy: -105.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1438.731349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.731349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.731349 (E_RNA) where: Base-Base interactions energy: -936.139 where: short stacking energy: -401.870 Base-Backbone interact. energy: -3.056 local terms energy: -499.536488 where: bonds (distance) C4'-P energy: -109.667 bonds (distance) P-C4' energy: -119.344 flat angles C4'-P-C4' energy: -107.058 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -97.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -790.763681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.763681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.763681 (E_RNA) where: Base-Base interactions energy: -400.144 where: short stacking energy: -221.516 Base-Backbone interact. energy: -2.614 local terms energy: -388.006001 where: bonds (distance) C4'-P energy: -124.728 bonds (distance) P-C4' energy: -124.021 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -41.191 tors. eta vs tors. theta energy: 6.135 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: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -612.132016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.132016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.132016 (E_RNA) where: Base-Base interactions energy: -262.824 where: short stacking energy: -175.494 Base-Backbone interact. energy: -1.024 local terms energy: -348.283644 where: bonds (distance) C4'-P energy: -99.044 bonds (distance) P-C4' energy: -111.653 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: 6.649 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: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2353.149574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.149574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.149574 (E_RNA) where: Base-Base interactions energy: -1620.022 where: short stacking energy: -664.840 Base-Backbone interact. energy: 1.690 local terms energy: -734.816996 where: bonds (distance) C4'-P energy: -124.257 bonds (distance) P-C4' energy: -146.652 flat angles C4'-P-C4' energy: -155.084 flat angles P-C4'-P energy: -108.646 tors. eta vs tors. theta energy: -200.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2360.335782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.335782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.335782 (E_RNA) where: Base-Base interactions energy: -1630.252 where: short stacking energy: -678.742 Base-Backbone interact. energy: -1.205 local terms energy: -728.879297 where: bonds (distance) C4'-P energy: -120.628 bonds (distance) P-C4' energy: -127.625 flat angles C4'-P-C4' energy: -157.440 flat angles P-C4'-P energy: -107.770 tors. eta vs tors. theta energy: -215.417 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: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2253.010624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.010624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.010624 (E_RNA) where: Base-Base interactions energy: -1555.780 where: short stacking energy: -676.713 Base-Backbone interact. energy: -3.979 local terms energy: -693.251330 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -126.872 flat angles C4'-P-C4' energy: -139.188 flat angles P-C4'-P energy: -95.652 tors. eta vs tors. theta energy: -203.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2140.406930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.406930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.406930 (E_RNA) where: Base-Base interactions energy: -1477.406 where: short stacking energy: -640.521 Base-Backbone interact. energy: -3.397 local terms energy: -659.604077 where: bonds (distance) C4'-P energy: -100.146 bonds (distance) P-C4' energy: -113.356 flat angles C4'-P-C4' energy: -154.543 flat angles P-C4'-P energy: -96.674 tors. eta vs tors. theta energy: -194.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1985.418590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.418590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.418590 (E_RNA) where: Base-Base interactions energy: -1367.081 where: short stacking energy: -577.891 Base-Backbone interact. energy: 0.431 local terms energy: -618.768698 where: bonds (distance) C4'-P energy: -122.821 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -135.888 flat angles P-C4'-P energy: -77.432 tors. eta vs tors. theta energy: -172.861 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: 434 Temperature: 1.150000 Total energy: -1889.839818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.839818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.839818 (E_RNA) where: Base-Base interactions energy: -1274.022 where: short stacking energy: -531.683 Base-Backbone interact. energy: 2.432 local terms energy: -618.249766 where: bonds (distance) C4'-P energy: -117.494 bonds (distance) P-C4' energy: -121.923 flat angles C4'-P-C4' energy: -121.786 flat angles P-C4'-P energy: -91.832 tors. eta vs tors. theta energy: -165.216 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: 9 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1553.898062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.898062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.898062 (E_RNA) where: Base-Base interactions energy: -1006.882 where: short stacking energy: -466.705 Base-Backbone interact. energy: 0.998 local terms energy: -548.014496 where: bonds (distance) C4'-P energy: -99.564 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -139.015 flat angles P-C4'-P energy: -90.901 tors. eta vs tors. theta energy: -105.903 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: 3 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1447.393061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.393061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.393061 (E_RNA) where: Base-Base interactions energy: -938.117 where: short stacking energy: -409.003 Base-Backbone interact. energy: -2.430 local terms energy: -506.846440 where: bonds (distance) C4'-P energy: -95.671 bonds (distance) P-C4' energy: -123.313 flat angles C4'-P-C4' energy: -107.117 flat angles P-C4'-P energy: -68.571 tors. eta vs tors. theta energy: -112.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -828.262628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.262628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.262628 (E_RNA) where: Base-Base interactions energy: -450.671 where: short stacking energy: -239.530 Base-Backbone interact. energy: -1.477 local terms energy: -376.115196 where: bonds (distance) C4'-P energy: -102.220 bonds (distance) P-C4' energy: -110.302 flat angles C4'-P-C4' energy: -86.474 flat angles P-C4'-P energy: -67.544 tors. eta vs tors. theta energy: -9.575 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: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -556.004632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.004632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.004632 (E_RNA) where: Base-Base interactions energy: -194.590 where: short stacking energy: -156.886 Base-Backbone interact. energy: 7.607 local terms energy: -369.021725 where: bonds (distance) C4'-P energy: -123.453 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: 14.125 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: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2375.089491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.089491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.089491 (E_RNA) where: Base-Base interactions energy: -1644.151 where: short stacking energy: -695.251 Base-Backbone interact. energy: -0.827 local terms energy: -730.111884 where: bonds (distance) C4'-P energy: -122.435 bonds (distance) P-C4' energy: -149.880 flat angles C4'-P-C4' energy: -151.484 flat angles P-C4'-P energy: -99.326 tors. eta vs tors. theta energy: -206.987 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: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2333.018720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.018720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.018720 (E_RNA) where: Base-Base interactions energy: -1637.922 where: short stacking energy: -696.162 Base-Backbone interact. energy: -1.769 local terms energy: -693.328284 where: bonds (distance) C4'-P energy: -117.779 bonds (distance) P-C4' energy: -128.990 flat angles C4'-P-C4' energy: -148.526 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -207.212 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: 3, replica: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2266.384817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.384817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.384817 (E_RNA) where: Base-Base interactions energy: -1549.451 where: short stacking energy: -696.584 Base-Backbone interact. energy: 1.114 local terms energy: -718.047370 where: bonds (distance) C4'-P energy: -136.161 bonds (distance) P-C4' energy: -127.661 flat angles C4'-P-C4' energy: -147.976 flat angles P-C4'-P energy: -101.345 tors. eta vs tors. theta energy: -204.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2145.936483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.936483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.936483 (E_RNA) where: Base-Base interactions energy: -1483.147 where: short stacking energy: -620.228 Base-Backbone interact. energy: -0.878 local terms energy: -661.911046 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -123.124 flat angles C4'-P-C4' energy: -146.192 flat angles P-C4'-P energy: -88.456 tors. eta vs tors. theta energy: -194.856 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: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1966.424409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.424409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.424409 (E_RNA) where: Base-Base interactions energy: -1357.040 where: short stacking energy: -557.760 Base-Backbone interact. energy: -2.682 local terms energy: -606.702940 where: bonds (distance) C4'-P energy: -109.853 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -128.860 flat angles P-C4'-P energy: -93.159 tors. eta vs tors. theta energy: -149.309 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: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1822.308402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.308402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.308402 (E_RNA) where: Base-Base interactions energy: -1247.746 where: short stacking energy: -534.684 Base-Backbone interact. energy: -1.524 local terms energy: -573.038052 where: bonds (distance) C4'-P energy: -102.699 bonds (distance) P-C4' energy: -118.820 flat angles C4'-P-C4' energy: -127.137 flat angles P-C4'-P energy: -81.564 tors. eta vs tors. theta energy: -142.817 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: 7, replica: 9 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1541.576765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.576765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.576765 (E_RNA) where: Base-Base interactions energy: -1020.893 where: short stacking energy: -447.766 Base-Backbone interact. energy: 2.526 local terms energy: -523.209373 where: bonds (distance) C4'-P energy: -108.996 bonds (distance) P-C4' energy: -111.581 flat angles C4'-P-C4' energy: -111.272 flat angles P-C4'-P energy: -83.435 tors. eta vs tors. theta energy: -107.925 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: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1409.975191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.975191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.975191 (E_RNA) where: Base-Base interactions energy: -895.891 where: short stacking energy: -403.809 Base-Backbone interact. energy: -1.255 local terms energy: -512.828881 where: bonds (distance) C4'-P energy: -109.810 bonds (distance) P-C4' energy: -99.231 flat angles C4'-P-C4' energy: -111.994 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -108.390 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: 9, replica: 6 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -847.557520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.557520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.557520 (E_RNA) where: Base-Base interactions energy: -427.013 where: short stacking energy: -246.106 Base-Backbone interact. energy: 0.905 local terms energy: -421.450398 where: bonds (distance) C4'-P energy: -94.275 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -95.557 flat angles P-C4'-P energy: -85.619 tors. eta vs tors. theta energy: -30.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -515.492203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.492203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.492203 (E_RNA) where: Base-Base interactions energy: -178.397 where: short stacking energy: -155.322 Base-Backbone interact. energy: 0.704 local terms energy: -337.799576 where: bonds (distance) C4'-P energy: -102.499 bonds (distance) P-C4' energy: -96.824 flat angles C4'-P-C4' energy: -105.444 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: 17.979 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: 1, replica: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2387.280656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.280656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.280656 (E_RNA) where: Base-Base interactions energy: -1652.661 where: short stacking energy: -705.324 Base-Backbone interact. energy: 0.971 local terms energy: -735.590186 where: bonds (distance) C4'-P energy: -132.688 bonds (distance) P-C4' energy: -135.883 flat angles C4'-P-C4' energy: -158.332 flat angles P-C4'-P energy: -100.365 tors. eta vs tors. theta energy: -208.322 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: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2326.228274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.228274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.228274 (E_RNA) where: Base-Base interactions energy: -1603.554 where: short stacking energy: -669.699 Base-Backbone interact. energy: 0.452 local terms energy: -723.126728 where: bonds (distance) C4'-P energy: -126.525 bonds (distance) P-C4' energy: -137.096 flat angles C4'-P-C4' energy: -154.000 flat angles P-C4'-P energy: -113.591 tors. eta vs tors. theta energy: -191.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2246.081583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.081583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.081583 (E_RNA) where: Base-Base interactions energy: -1534.090 where: short stacking energy: -691.764 Base-Backbone interact. energy: -2.368 local terms energy: -709.624166 where: bonds (distance) C4'-P energy: -133.244 bonds (distance) P-C4' energy: -126.527 flat angles C4'-P-C4' energy: -142.054 flat angles P-C4'-P energy: -92.787 tors. eta vs tors. theta energy: -215.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2160.537020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.537020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.537020 (E_RNA) where: Base-Base interactions energy: -1473.106 where: short stacking energy: -606.809 Base-Backbone interact. energy: -3.588 local terms energy: -683.842969 where: bonds (distance) C4'-P energy: -118.967 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -139.899 flat angles P-C4'-P energy: -109.240 tors. eta vs tors. theta energy: -184.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1905.932876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.932876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.932876 (E_RNA) where: Base-Base interactions energy: -1294.799 where: short stacking energy: -520.161 Base-Backbone interact. energy: -0.588 local terms energy: -610.546522 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -132.118 flat angles C4'-P-C4' energy: -138.653 flat angles P-C4'-P energy: -85.301 tors. eta vs tors. theta energy: -144.120 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: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1861.932052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.932052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.932052 (E_RNA) where: Base-Base interactions energy: -1258.617 where: short stacking energy: -557.631 Base-Backbone interact. energy: 1.536 local terms energy: -604.851483 where: bonds (distance) C4'-P energy: -119.030 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -133.003 flat angles P-C4'-P energy: -72.312 tors. eta vs tors. theta energy: -172.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1529.096835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.096835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.096835 (E_RNA) where: Base-Base interactions energy: -1001.354 where: short stacking energy: -455.496 Base-Backbone interact. energy: -2.587 local terms energy: -525.155994 where: bonds (distance) C4'-P energy: -117.356 bonds (distance) P-C4' energy: -109.225 flat angles C4'-P-C4' energy: -111.214 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: -108.915 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: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1405.503385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.503385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.503385 (E_RNA) where: Base-Base interactions energy: -913.289 where: short stacking energy: -413.306 Base-Backbone interact. energy: 1.041 local terms energy: -493.255348 where: bonds (distance) C4'-P energy: -102.860 bonds (distance) P-C4' energy: -116.164 flat angles C4'-P-C4' energy: -115.148 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -93.051 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: 436 Temperature: 1.300000 Total energy: -760.315880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.315880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.315880 (E_RNA) where: Base-Base interactions energy: -398.575 where: short stacking energy: -239.736 Base-Backbone interact. energy: -3.298 local terms energy: -358.443218 where: bonds (distance) C4'-P energy: -91.094 bonds (distance) P-C4' energy: -116.118 flat angles C4'-P-C4' energy: -104.516 flat angles P-C4'-P energy: -43.854 tors. eta vs tors. theta energy: -2.861 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: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -504.069040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.069040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.069040 (E_RNA) where: Base-Base interactions energy: -182.832 where: short stacking energy: -165.182 Base-Backbone interact. energy: -0.790 local terms energy: -320.446934 where: bonds (distance) C4'-P energy: -118.488 bonds (distance) P-C4' energy: -110.356 flat angles C4'-P-C4' energy: -72.233 flat angles P-C4'-P energy: -29.712 tors. eta vs tors. theta energy: 10.342 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: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2383.323730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.323730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.323730 (E_RNA) where: Base-Base interactions energy: -1665.053 where: short stacking energy: -705.761 Base-Backbone interact. energy: -4.336 local terms energy: -713.935466 where: bonds (distance) C4'-P energy: -115.427 bonds (distance) P-C4' energy: -138.560 flat angles C4'-P-C4' energy: -151.955 flat angles P-C4'-P energy: -93.641 tors. eta vs tors. theta energy: -214.353 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: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2270.311242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.311242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.311242 (E_RNA) where: Base-Base interactions energy: -1545.398 where: short stacking energy: -694.301 Base-Backbone interact. energy: -4.018 local terms energy: -720.894675 where: bonds (distance) C4'-P energy: -133.380 bonds (distance) P-C4' energy: -128.090 flat angles C4'-P-C4' energy: -148.593 flat angles P-C4'-P energy: -95.656 tors. eta vs tors. theta energy: -215.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2282.978417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.978417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.978417 (E_RNA) where: Base-Base interactions energy: -1594.648 where: short stacking energy: -670.853 Base-Backbone interact. energy: 2.673 local terms energy: -691.003371 where: bonds (distance) C4'-P energy: -113.179 bonds (distance) P-C4' energy: -115.827 flat angles C4'-P-C4' energy: -147.010 flat angles P-C4'-P energy: -114.745 tors. eta vs tors. theta energy: -200.243 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: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2150.341634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.341634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.341634 (E_RNA) where: Base-Base interactions energy: -1500.085 where: short stacking energy: -645.926 Base-Backbone interact. energy: 0.175 local terms energy: -650.431573 where: bonds (distance) C4'-P energy: -106.645 bonds (distance) P-C4' energy: -125.252 flat angles C4'-P-C4' energy: -137.695 flat angles P-C4'-P energy: -91.747 tors. eta vs tors. theta energy: -189.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1930.503807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.503807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.503807 (E_RNA) where: Base-Base interactions energy: -1335.334 where: short stacking energy: -548.906 Base-Backbone interact. energy: 0.939 local terms energy: -596.108008 where: bonds (distance) C4'-P energy: -116.946 bonds (distance) P-C4' energy: -119.131 flat angles C4'-P-C4' energy: -130.151 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -157.607 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: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1890.517857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.517857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.517857 (E_RNA) where: Base-Base interactions energy: -1305.087 where: short stacking energy: -583.283 Base-Backbone interact. energy: -3.540 local terms energy: -581.891347 where: bonds (distance) C4'-P energy: -99.080 bonds (distance) P-C4' energy: -114.579 flat angles C4'-P-C4' energy: -128.518 flat angles P-C4'-P energy: -81.748 tors. eta vs tors. theta energy: -157.966 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: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1424.322104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.322104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.322104 (E_RNA) where: Base-Base interactions energy: -925.210 where: short stacking energy: -429.249 Base-Backbone interact. energy: -2.625 local terms energy: -496.486326 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -114.296 flat angles C4'-P-C4' energy: -107.766 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -83.474 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: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1370.665082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.665082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.665082 (E_RNA) where: Base-Base interactions energy: -921.226 where: short stacking energy: -396.601 Base-Backbone interact. energy: 0.434 local terms energy: -449.873634 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -111.493 flat angles C4'-P-C4' energy: -117.350 flat angles P-C4'-P energy: -61.074 tors. eta vs tors. theta energy: -77.024 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: 9, replica: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -750.321093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.321093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.321093 (E_RNA) where: Base-Base interactions energy: -370.615 where: short stacking energy: -216.095 Base-Backbone interact. energy: -0.849 local terms energy: -378.856511 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -111.457 flat angles C4'-P-C4' energy: -94.785 flat angles P-C4'-P energy: -57.310 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -542.695427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.695427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.695427 (E_RNA) where: Base-Base interactions energy: -196.871 where: short stacking energy: -146.481 Base-Backbone interact. energy: 3.114 local terms energy: -348.938376 where: bonds (distance) C4'-P energy: -114.013 bonds (distance) P-C4' energy: -117.208 flat angles C4'-P-C4' energy: -73.087 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: 7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2379.807157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.807157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.807157 (E_RNA) where: Base-Base interactions energy: -1643.223 where: short stacking energy: -699.524 Base-Backbone interact. energy: -4.079 local terms energy: -732.505047 where: bonds (distance) C4'-P energy: -120.230 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -163.018 flat angles P-C4'-P energy: -108.310 tors. eta vs tors. theta energy: -210.409 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2277.139831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.139831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.139831 (E_RNA) where: Base-Base interactions energy: -1544.123 where: short stacking energy: -669.873 Base-Backbone interact. energy: -3.502 local terms energy: -729.515249 where: bonds (distance) C4'-P energy: -126.734 bonds (distance) P-C4' energy: -132.926 flat angles C4'-P-C4' energy: -152.713 flat angles P-C4'-P energy: -106.129 tors. eta vs tors. theta energy: -211.013 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: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2223.595624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.595624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.595624 (E_RNA) where: Base-Base interactions energy: -1523.087 where: short stacking energy: -667.673 Base-Backbone interact. energy: -2.640 local terms energy: -697.868324 where: bonds (distance) C4'-P energy: -129.063 bonds (distance) P-C4' energy: -130.738 flat angles C4'-P-C4' energy: -143.340 flat angles P-C4'-P energy: -90.591 tors. eta vs tors. theta energy: -204.136 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: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2198.677575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.677575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.677575 (E_RNA) where: Base-Base interactions energy: -1524.639 where: short stacking energy: -617.203 Base-Backbone interact. energy: -4.650 local terms energy: -669.387919 where: bonds (distance) C4'-P energy: -118.145 bonds (distance) P-C4' energy: -129.855 flat angles C4'-P-C4' energy: -145.462 flat angles P-C4'-P energy: -100.014 tors. eta vs tors. theta energy: -175.911 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: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1897.427467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.427467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.427467 (E_RNA) where: Base-Base interactions energy: -1290.397 where: short stacking energy: -541.247 Base-Backbone interact. energy: -2.866 local terms energy: -604.164597 where: bonds (distance) C4'-P energy: -118.060 bonds (distance) P-C4' energy: -115.346 flat angles C4'-P-C4' energy: -135.046 flat angles P-C4'-P energy: -79.988 tors. eta vs tors. theta energy: -155.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1921.349632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.349632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.349632 (E_RNA) where: Base-Base interactions energy: -1327.810 where: short stacking energy: -558.607 Base-Backbone interact. energy: -3.092 local terms energy: -590.447268 where: bonds (distance) C4'-P energy: -124.665 bonds (distance) P-C4' energy: -125.994 flat angles C4'-P-C4' energy: -119.834 flat angles P-C4'-P energy: -65.853 tors. eta vs tors. theta energy: -154.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1511.482686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.482686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.482686 (E_RNA) where: Base-Base interactions energy: -1021.078 where: short stacking energy: -462.854 Base-Backbone interact. energy: 4.711 local terms energy: -495.115546 where: bonds (distance) C4'-P energy: -86.212 bonds (distance) P-C4' energy: -95.270 flat angles C4'-P-C4' energy: -122.569 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -111.562 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: 8, replica: 3 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1455.544553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.544553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.544553 (E_RNA) where: Base-Base interactions energy: -933.737 where: short stacking energy: -421.864 Base-Backbone interact. energy: 6.862 local terms energy: -528.669646 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -120.284 flat angles C4'-P-C4' energy: -115.692 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -106.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -722.254520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.254520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.254520 (E_RNA) where: Base-Base interactions energy: -336.922 where: short stacking energy: -213.119 Base-Backbone interact. energy: -0.062 local terms energy: -385.270285 where: bonds (distance) C4'-P energy: -116.439 bonds (distance) P-C4' energy: -81.872 flat angles C4'-P-C4' energy: -99.973 flat angles P-C4'-P energy: -61.302 tors. eta vs tors. theta energy: -25.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -486.212655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.212655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.212655 (E_RNA) where: Base-Base interactions energy: -154.538 where: short stacking energy: -133.066 Base-Backbone interact. energy: 4.739 local terms energy: -336.413935 where: bonds (distance) C4'-P energy: -106.745 bonds (distance) P-C4' energy: -120.876 flat angles C4'-P-C4' energy: -89.578 flat angles P-C4'-P energy: -50.932 tors. eta vs tors. theta energy: 31.718 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: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2411.020156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.020156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.020156 (E_RNA) where: Base-Base interactions energy: -1666.838 where: short stacking energy: -690.200 Base-Backbone interact. energy: -1.759 local terms energy: -742.422839 where: bonds (distance) C4'-P energy: -140.554 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -160.882 flat angles P-C4'-P energy: -94.849 tors. eta vs tors. theta energy: -202.238 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: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2325.862596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.862596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.862596 (E_RNA) where: Base-Base interactions energy: -1577.277 where: short stacking energy: -697.800 Base-Backbone interact. energy: 1.128 local terms energy: -749.713330 where: bonds (distance) C4'-P energy: -129.274 bonds (distance) P-C4' energy: -145.762 flat angles C4'-P-C4' energy: -161.805 flat angles P-C4'-P energy: -95.550 tors. eta vs tors. theta energy: -217.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2277.083084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.083084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.083084 (E_RNA) where: Base-Base interactions energy: -1572.974 where: short stacking energy: -658.831 Base-Backbone interact. energy: -4.607 local terms energy: -699.502484 where: bonds (distance) C4'-P energy: -127.517 bonds (distance) P-C4' energy: -120.419 flat angles C4'-P-C4' energy: -153.151 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -200.991 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: 439 Temperature: 1.050000 Total energy: -2208.347057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.347057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.347057 (E_RNA) where: Base-Base interactions energy: -1538.097 where: short stacking energy: -625.673 Base-Backbone interact. energy: 2.833 local terms energy: -673.082744 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -130.804 flat angles C4'-P-C4' energy: -138.740 flat angles P-C4'-P energy: -93.059 tors. eta vs tors. theta energy: -196.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1952.401120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.401120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.401120 (E_RNA) where: Base-Base interactions energy: -1333.059 where: short stacking energy: -565.147 Base-Backbone interact. energy: -2.202 local terms energy: -617.140589 where: bonds (distance) C4'-P energy: -113.392 bonds (distance) P-C4' energy: -106.148 flat angles C4'-P-C4' energy: -140.455 flat angles P-C4'-P energy: -93.577 tors. eta vs tors. theta energy: -163.569 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1891.007785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.007785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.007785 (E_RNA) where: Base-Base interactions energy: -1281.405 where: short stacking energy: -524.244 Base-Backbone interact. energy: -0.854 local terms energy: -608.747831 where: bonds (distance) C4'-P energy: -120.867 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -135.340 flat angles P-C4'-P energy: -70.883 tors. eta vs tors. theta energy: -160.553 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: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1511.510482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.510482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.510482 (E_RNA) where: Base-Base interactions energy: -1016.101 where: short stacking energy: -429.383 Base-Backbone interact. energy: -0.512 local terms energy: -494.896657 where: bonds (distance) C4'-P energy: -111.232 bonds (distance) P-C4' energy: -117.823 flat angles C4'-P-C4' energy: -108.517 flat angles P-C4'-P energy: -60.700 tors. eta vs tors. theta energy: -96.625 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: 8, replica: 3 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1444.134498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.134498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.134498 (E_RNA) where: Base-Base interactions energy: -927.598 where: short stacking energy: -414.755 Base-Backbone interact. energy: -2.095 local terms energy: -514.441330 where: bonds (distance) C4'-P energy: -113.823 bonds (distance) P-C4' energy: -113.725 flat angles C4'-P-C4' energy: -115.522 flat angles P-C4'-P energy: -72.133 tors. eta vs tors. theta energy: -99.238 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: 6 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -778.410663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.410663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.410663 (E_RNA) where: Base-Base interactions energy: -377.171 where: short stacking energy: -235.237 Base-Backbone interact. energy: 0.005 local terms energy: -401.244183 where: bonds (distance) C4'-P energy: -92.287 bonds (distance) P-C4' energy: -125.765 flat angles C4'-P-C4' energy: -107.671 flat angles P-C4'-P energy: -59.259 tors. eta vs tors. theta energy: -16.261 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: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -534.545349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.545349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.545349 (E_RNA) where: Base-Base interactions energy: -196.229 where: short stacking energy: -155.946 Base-Backbone interact. energy: 2.238 local terms energy: -340.554700 where: bonds (distance) C4'-P energy: -98.604 bonds (distance) P-C4' energy: -129.143 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: 28.936 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: 1, replica: 1 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2373.201305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.201305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.201305 (E_RNA) where: Base-Base interactions energy: -1648.654 where: short stacking energy: -692.629 Base-Backbone interact. energy: -0.022 local terms energy: -724.525664 where: bonds (distance) C4'-P energy: -125.654 bonds (distance) P-C4' energy: -131.526 flat angles C4'-P-C4' energy: -150.700 flat angles P-C4'-P energy: -99.943 tors. eta vs tors. theta energy: -216.702 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: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2300.735117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.735117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.735117 (E_RNA) where: Base-Base interactions energy: -1582.773 where: short stacking energy: -704.667 Base-Backbone interact. energy: -2.745 local terms energy: -715.216841 where: bonds (distance) C4'-P energy: -126.734 bonds (distance) P-C4' energy: -125.920 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -222.593 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: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2213.409429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.409429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.409429 (E_RNA) where: Base-Base interactions energy: -1525.858 where: short stacking energy: -656.200 Base-Backbone interact. energy: -0.636 local terms energy: -686.915906 where: bonds (distance) C4'-P energy: -127.085 bonds (distance) P-C4' energy: -112.366 flat angles C4'-P-C4' energy: -146.214 flat angles P-C4'-P energy: -103.516 tors. eta vs tors. theta energy: -197.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2211.950870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.950870 (E_RNA) where: Base-Base interactions energy: -1531.290 where: short stacking energy: -644.828 Base-Backbone interact. energy: 1.090 local terms energy: -681.751272 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -118.001 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -195.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1960.302725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.302725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.302725 (E_RNA) where: Base-Base interactions energy: -1330.160 where: short stacking energy: -573.129 Base-Backbone interact. energy: -0.421 local terms energy: -629.721418 where: bonds (distance) C4'-P energy: -125.271 bonds (distance) P-C4' energy: -103.683 flat angles C4'-P-C4' energy: -138.922 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -168.049 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: 6, replica: 8 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1894.910671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.910671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.910671 (E_RNA) where: Base-Base interactions energy: -1306.976 where: short stacking energy: -548.858 Base-Backbone interact. energy: -2.138 local terms energy: -585.796704 where: bonds (distance) C4'-P energy: -105.513 bonds (distance) P-C4' energy: -100.595 flat angles C4'-P-C4' energy: -126.100 flat angles P-C4'-P energy: -95.170 tors. eta vs tors. theta energy: -158.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1561.212929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.212929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.212929 (E_RNA) where: Base-Base interactions energy: -1062.458 where: short stacking energy: -450.474 Base-Backbone interact. energy: -5.001 local terms energy: -493.753828 where: bonds (distance) C4'-P energy: -100.686 bonds (distance) P-C4' energy: -98.091 flat angles C4'-P-C4' energy: -124.994 flat angles P-C4'-P energy: -72.107 tors. eta vs tors. theta energy: -97.875 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: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1402.349357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.349357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.349357 (E_RNA) where: Base-Base interactions energy: -907.107 where: short stacking energy: -410.970 Base-Backbone interact. energy: -0.959 local terms energy: -494.283276 where: bonds (distance) C4'-P energy: -111.382 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -110.961 flat angles P-C4'-P energy: -65.986 tors. eta vs tors. theta energy: -91.041 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: 9, replica: 6 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -727.926826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.926826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.926826 (E_RNA) where: Base-Base interactions energy: -347.030 where: short stacking energy: -220.689 Base-Backbone interact. energy: -0.441 local terms energy: -380.456574 where: bonds (distance) C4'-P energy: -119.798 bonds (distance) P-C4' energy: -108.422 flat angles C4'-P-C4' energy: -77.956 flat angles P-C4'-P energy: -56.755 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -537.043623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.043623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.043623 (E_RNA) where: Base-Base interactions energy: -202.030 where: short stacking energy: -156.390 Base-Backbone interact. energy: -0.601 local terms energy: -334.412859 where: bonds (distance) C4'-P energy: -98.434 bonds (distance) P-C4' energy: -108.083 flat angles C4'-P-C4' energy: -80.878 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: 13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2375.318944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.318944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.318944 (E_RNA) where: Base-Base interactions energy: -1635.859 where: short stacking energy: -701.628 Base-Backbone interact. energy: -1.164 local terms energy: -738.295178 where: bonds (distance) C4'-P energy: -132.413 bonds (distance) P-C4' energy: -138.999 flat angles C4'-P-C4' energy: -153.800 flat angles P-C4'-P energy: -97.889 tors. eta vs tors. theta energy: -215.194 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: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2290.439109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.439109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.439109 (E_RNA) where: Base-Base interactions energy: -1583.513 where: short stacking energy: -694.255 Base-Backbone interact. energy: -2.960 local terms energy: -703.965920 where: bonds (distance) C4'-P energy: -127.848 bonds (distance) P-C4' energy: -117.730 flat angles C4'-P-C4' energy: -147.733 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -202.769 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: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2239.531396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.531396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.531396 (E_RNA) where: Base-Base interactions energy: -1527.893 where: short stacking energy: -641.708 Base-Backbone interact. energy: -4.926 local terms energy: -706.712299 where: bonds (distance) C4'-P energy: -128.655 bonds (distance) P-C4' energy: -132.115 flat angles C4'-P-C4' energy: -146.761 flat angles P-C4'-P energy: -97.841 tors. eta vs tors. theta energy: -201.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2161.702077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.702077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.702077 (E_RNA) where: Base-Base interactions energy: -1522.157 where: short stacking energy: -607.792 Base-Backbone interact. energy: -3.656 local terms energy: -635.889225 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -116.859 flat angles C4'-P-C4' energy: -138.690 flat angles P-C4'-P energy: -94.828 tors. eta vs tors. theta energy: -171.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1949.107728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.107728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.107728 (E_RNA) where: Base-Base interactions energy: -1328.334 where: short stacking energy: -552.191 Base-Backbone interact. energy: 0.727 local terms energy: -621.501055 where: bonds (distance) C4'-P energy: -114.288 bonds (distance) P-C4' energy: -118.453 flat angles C4'-P-C4' energy: -138.561 flat angles P-C4'-P energy: -91.373 tors. eta vs tors. theta energy: -158.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1848.765393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.765393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.765393 (E_RNA) where: Base-Base interactions energy: -1254.163 where: short stacking energy: -507.690 Base-Backbone interact. energy: 0.418 local terms energy: -595.021001 where: bonds (distance) C4'-P energy: -113.774 bonds (distance) P-C4' energy: -122.242 flat angles C4'-P-C4' energy: -122.887 flat angles P-C4'-P energy: -98.869 tors. eta vs tors. theta energy: -137.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1536.532575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.532575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.532575 (E_RNA) where: Base-Base interactions energy: -1002.580 where: short stacking energy: -458.433 Base-Backbone interact. energy: -1.065 local terms energy: -532.887026 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -138.284 flat angles C4'-P-C4' energy: -120.630 flat angles P-C4'-P energy: -61.461 tors. eta vs tors. theta energy: -108.859 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: 441 Temperature: 1.250000 Total energy: -1472.784319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.784319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.784319 (E_RNA) where: Base-Base interactions energy: -992.244 where: short stacking energy: -411.014 Base-Backbone interact. energy: 2.898 local terms energy: -483.438336 where: bonds (distance) C4'-P energy: -99.296 bonds (distance) P-C4' energy: -105.273 flat angles C4'-P-C4' energy: -116.766 flat angles P-C4'-P energy: -56.027 tors. eta vs tors. theta energy: -106.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -734.073670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.073670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.073670 (E_RNA) where: Base-Base interactions energy: -365.393 where: short stacking energy: -205.954 Base-Backbone interact. energy: -2.551 local terms energy: -366.129690 where: bonds (distance) C4'-P energy: -96.373 bonds (distance) P-C4' energy: -116.786 flat angles C4'-P-C4' energy: -103.501 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -7.357 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: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -514.972328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.972328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.972328 (E_RNA) where: Base-Base interactions energy: -170.221 where: short stacking energy: -130.478 Base-Backbone interact. energy: -3.170 local terms energy: -341.581069 where: bonds (distance) C4'-P energy: -104.918 bonds (distance) P-C4' energy: -112.384 flat angles C4'-P-C4' energy: -88.455 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: 23.137 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: 442 Temperature: 0.900000 Total energy: -2383.225731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.225731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.225731 (E_RNA) where: Base-Base interactions energy: -1663.528 where: short stacking energy: -696.336 Base-Backbone interact. energy: -5.461 local terms energy: -714.237312 where: bonds (distance) C4'-P energy: -121.329 bonds (distance) P-C4' energy: -124.179 flat angles C4'-P-C4' energy: -153.473 flat angles P-C4'-P energy: -104.755 tors. eta vs tors. theta energy: -210.502 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: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2315.748534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.748534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.748534 (E_RNA) where: Base-Base interactions energy: -1557.005 where: short stacking energy: -702.702 Base-Backbone interact. energy: -0.996 local terms energy: -757.746983 where: bonds (distance) C4'-P energy: -144.991 bonds (distance) P-C4' energy: -138.197 flat angles C4'-P-C4' energy: -161.047 flat angles P-C4'-P energy: -105.036 tors. eta vs tors. theta energy: -208.476 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: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2250.270054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.270054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.270054 (E_RNA) where: Base-Base interactions energy: -1581.943 where: short stacking energy: -620.900 Base-Backbone interact. energy: -0.875 local terms energy: -667.452334 where: bonds (distance) C4'-P energy: -137.105 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -141.302 flat angles P-C4'-P energy: -86.044 tors. eta vs tors. theta energy: -185.274 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: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2172.336686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.336686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.336686 (E_RNA) where: Base-Base interactions energy: -1467.462 where: short stacking energy: -639.046 Base-Backbone interact. energy: 1.819 local terms energy: -706.694285 where: bonds (distance) C4'-P energy: -130.952 bonds (distance) P-C4' energy: -141.737 flat angles C4'-P-C4' energy: -147.058 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -192.059 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: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1974.026002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.026002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.026002 (E_RNA) where: Base-Base interactions energy: -1373.582 where: short stacking energy: -558.281 Base-Backbone interact. energy: 0.034 local terms energy: -600.478628 where: bonds (distance) C4'-P energy: -108.251 bonds (distance) P-C4' energy: -108.798 flat angles C4'-P-C4' energy: -123.688 flat angles P-C4'-P energy: -91.908 tors. eta vs tors. theta energy: -167.833 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: 6, replica: 8 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1919.104873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.104873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.104873 (E_RNA) where: Base-Base interactions energy: -1279.168 where: short stacking energy: -549.774 Base-Backbone interact. energy: -1.243 local terms energy: -638.693905 where: bonds (distance) C4'-P energy: -114.673 bonds (distance) P-C4' energy: -127.422 flat angles C4'-P-C4' energy: -139.704 flat angles P-C4'-P energy: -97.972 tors. eta vs tors. theta energy: -158.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1530.237082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.237082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.237082 (E_RNA) where: Base-Base interactions energy: -1014.932 where: short stacking energy: -462.045 Base-Backbone interact. energy: -2.969 local terms energy: -512.336612 where: bonds (distance) C4'-P energy: -103.364 bonds (distance) P-C4' energy: -109.366 flat angles C4'-P-C4' energy: -121.293 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -107.603 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: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1360.523727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.523727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.523727 (E_RNA) where: Base-Base interactions energy: -864.212 where: short stacking energy: -380.877 Base-Backbone interact. energy: 0.167 local terms energy: -496.478737 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -115.338 flat angles C4'-P-C4' energy: -115.940 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -82.444 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: 6 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -722.961829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.961829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.961829 (E_RNA) where: Base-Base interactions energy: -342.295 where: short stacking energy: -217.306 Base-Backbone interact. energy: -1.412 local terms energy: -379.254834 where: bonds (distance) C4'-P energy: -115.815 bonds (distance) P-C4' energy: -105.644 flat angles C4'-P-C4' energy: -91.827 flat angles P-C4'-P energy: -63.995 tors. eta vs tors. theta energy: -1.974 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: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -551.563582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.563582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.563582 (E_RNA) where: Base-Base interactions energy: -215.239 where: short stacking energy: -169.806 Base-Backbone interact. energy: -1.796 local terms energy: -334.528408 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -35.134 tors. eta vs tors. theta energy: 1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2381.766332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.766332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.766332 (E_RNA) where: Base-Base interactions energy: -1639.704 where: short stacking energy: -688.676 Base-Backbone interact. energy: -3.156 local terms energy: -738.905681 where: bonds (distance) C4'-P energy: -131.417 bonds (distance) P-C4' energy: -145.863 flat angles C4'-P-C4' energy: -156.573 flat angles P-C4'-P energy: -100.465 tors. eta vs tors. theta energy: -204.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2303.742854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.742854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.742854 (E_RNA) where: Base-Base interactions energy: -1566.886 where: short stacking energy: -690.775 Base-Backbone interact. energy: -0.883 local terms energy: -735.973935 where: bonds (distance) C4'-P energy: -128.330 bonds (distance) P-C4' energy: -135.591 flat angles C4'-P-C4' energy: -156.815 flat angles P-C4'-P energy: -103.310 tors. eta vs tors. theta energy: -211.928 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: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2231.189403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.189403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.189403 (E_RNA) where: Base-Base interactions energy: -1568.096 where: short stacking energy: -641.510 Base-Backbone interact. energy: -1.964 local terms energy: -661.129563 where: bonds (distance) C4'-P energy: -117.883 bonds (distance) P-C4' energy: -128.293 flat angles C4'-P-C4' energy: -138.236 flat angles P-C4'-P energy: -84.746 tors. eta vs tors. theta energy: -191.972 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: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2133.294964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.294964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.294964 (E_RNA) where: Base-Base interactions energy: -1453.129 where: short stacking energy: -666.290 Base-Backbone interact. energy: -5.066 local terms energy: -675.100555 where: bonds (distance) C4'-P energy: -118.515 bonds (distance) P-C4' energy: -127.601 flat angles C4'-P-C4' energy: -140.302 flat angles P-C4'-P energy: -99.480 tors. eta vs tors. theta energy: -189.202 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: 443 Temperature: 1.100000 Total energy: -1999.974924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.974924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.974924 (E_RNA) where: Base-Base interactions energy: -1369.718 where: short stacking energy: -570.178 Base-Backbone interact. energy: 3.162 local terms energy: -633.419222 where: bonds (distance) C4'-P energy: -133.428 bonds (distance) P-C4' energy: -123.279 flat angles C4'-P-C4' energy: -122.668 flat angles P-C4'-P energy: -94.230 tors. eta vs tors. theta energy: -159.815 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: 6, replica: 8 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1879.494153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.494153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.494153 (E_RNA) where: Base-Base interactions energy: -1289.730 where: short stacking energy: -539.443 Base-Backbone interact. energy: -2.231 local terms energy: -587.532292 where: bonds (distance) C4'-P energy: -103.558 bonds (distance) P-C4' energy: -117.775 flat angles C4'-P-C4' energy: -125.682 flat angles P-C4'-P energy: -84.867 tors. eta vs tors. theta energy: -155.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1559.781773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.781773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.781773 (E_RNA) where: Base-Base interactions energy: -1027.029 where: short stacking energy: -436.476 Base-Backbone interact. energy: -2.657 local terms energy: -530.095482 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -117.181 flat angles C4'-P-C4' energy: -126.637 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -96.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1359.010594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.010594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.010594 (E_RNA) where: Base-Base interactions energy: -911.002 where: short stacking energy: -380.611 Base-Backbone interact. energy: 2.488 local terms energy: -450.496101 where: bonds (distance) C4'-P energy: -116.421 bonds (distance) P-C4' energy: -111.989 flat angles C4'-P-C4' energy: -91.735 flat angles P-C4'-P energy: -50.457 tors. eta vs tors. theta energy: -79.895 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: 6 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -737.373543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.373543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.373543 (E_RNA) where: Base-Base interactions energy: -353.019 where: short stacking energy: -207.155 Base-Backbone interact. energy: -0.294 local terms energy: -384.060491 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -125.602 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -53.316 tors. eta vs tors. theta energy: -9.435 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: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -556.741765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.741765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.741765 (E_RNA) where: Base-Base interactions energy: -221.058 where: short stacking energy: -149.401 Base-Backbone interact. energy: 5.456 local terms energy: -341.140066 where: bonds (distance) C4'-P energy: -95.097 bonds (distance) P-C4' energy: -109.657 flat angles C4'-P-C4' energy: -93.596 flat angles P-C4'-P energy: -58.588 tors. eta vs tors. theta energy: 15.798 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: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2364.383948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.383948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.383948 (E_RNA) where: Base-Base interactions energy: -1629.510 where: short stacking energy: -697.426 Base-Backbone interact. energy: -1.979 local terms energy: -732.895292 where: bonds (distance) C4'-P energy: -139.789 bonds (distance) P-C4' energy: -131.932 flat angles C4'-P-C4' energy: -150.229 flat angles P-C4'-P energy: -93.232 tors. eta vs tors. theta energy: -217.713 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: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2311.527861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.527861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.527861 (E_RNA) where: Base-Base interactions energy: -1596.765 where: short stacking energy: -678.378 Base-Backbone interact. energy: 0.565 local terms energy: -715.328127 where: bonds (distance) C4'-P energy: -137.680 bonds (distance) P-C4' energy: -133.574 flat angles C4'-P-C4' energy: -152.005 flat angles P-C4'-P energy: -86.637 tors. eta vs tors. theta energy: -205.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2229.619130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.619130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.619130 (E_RNA) where: Base-Base interactions energy: -1519.619 where: short stacking energy: -676.253 Base-Backbone interact. energy: -2.221 local terms energy: -707.778933 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -144.626 flat angles C4'-P-C4' energy: -154.403 flat angles P-C4'-P energy: -88.647 tors. eta vs tors. theta energy: -204.943 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: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2183.087849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.087849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.087849 (E_RNA) where: Base-Base interactions energy: -1509.044 where: short stacking energy: -611.055 Base-Backbone interact. energy: 0.332 local terms energy: -674.375312 where: bonds (distance) C4'-P energy: -123.194 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -138.928 flat angles P-C4'-P energy: -87.368 tors. eta vs tors. theta energy: -189.198 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: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1977.724278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.724278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.724278 (E_RNA) where: Base-Base interactions energy: -1356.590 where: short stacking energy: -560.942 Base-Backbone interact. energy: -2.043 local terms energy: -619.091290 where: bonds (distance) C4'-P energy: -122.123 bonds (distance) P-C4' energy: -107.043 flat angles C4'-P-C4' energy: -142.116 flat angles P-C4'-P energy: -95.711 tors. eta vs tors. theta energy: -152.097 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: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1874.243694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.243694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.243694 (E_RNA) where: Base-Base interactions energy: -1274.645 where: short stacking energy: -543.026 Base-Backbone interact. energy: -1.273 local terms energy: -598.325377 where: bonds (distance) C4'-P energy: -105.297 bonds (distance) P-C4' energy: -123.911 flat angles C4'-P-C4' energy: -132.391 flat angles P-C4'-P energy: -83.423 tors. eta vs tors. theta energy: -153.303 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: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1561.184578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.184578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.184578 (E_RNA) where: Base-Base interactions energy: -1046.822 where: short stacking energy: -466.857 Base-Backbone interact. energy: -1.170 local terms energy: -513.193395 where: bonds (distance) C4'-P energy: -105.691 bonds (distance) P-C4' energy: -118.872 flat angles C4'-P-C4' energy: -118.615 flat angles P-C4'-P energy: -72.376 tors. eta vs tors. theta energy: -97.639 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: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1342.595058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.595058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.595058 (E_RNA) where: Base-Base interactions energy: -889.524 where: short stacking energy: -410.277 Base-Backbone interact. energy: -2.154 local terms energy: -450.917336 where: bonds (distance) C4'-P energy: -118.131 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -108.557 flat angles P-C4'-P energy: -65.137 tors. eta vs tors. theta energy: -73.416 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: 6 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -733.787259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.787259 (E_RNA) where: Base-Base interactions energy: -354.738 where: short stacking energy: -211.335 Base-Backbone interact. energy: 0.287 local terms energy: -379.335437 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -109.750 flat angles C4'-P-C4' energy: -95.457 flat angles P-C4'-P energy: -66.927 tors. eta vs tors. theta energy: 4.289 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: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -529.765375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.765375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.765375 (E_RNA) where: Base-Base interactions energy: -156.293 where: short stacking energy: -141.342 Base-Backbone interact. energy: 6.192 local terms energy: -379.664321 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -119.359 flat angles C4'-P-C4' energy: -97.266 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: 17.853 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: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2375.389320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.389320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.389320 (E_RNA) where: Base-Base interactions energy: -1640.499 where: short stacking energy: -695.075 Base-Backbone interact. energy: -3.720 local terms energy: -731.170711 where: bonds (distance) C4'-P energy: -140.447 bonds (distance) P-C4' energy: -126.158 flat angles C4'-P-C4' energy: -159.083 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -214.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2296.222452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.222452 (E_RNA) where: Base-Base interactions energy: -1568.025 where: short stacking energy: -673.608 Base-Backbone interact. energy: -2.521 local terms energy: -725.676109 where: bonds (distance) C4'-P energy: -131.525 bonds (distance) P-C4' energy: -124.425 flat angles C4'-P-C4' energy: -161.992 flat angles P-C4'-P energy: -100.416 tors. eta vs tors. theta energy: -207.319 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: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2206.630248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.630248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.630248 (E_RNA) where: Base-Base interactions energy: -1514.904 where: short stacking energy: -671.897 Base-Backbone interact. energy: -3.450 local terms energy: -688.275792 where: bonds (distance) C4'-P energy: -107.344 bonds (distance) P-C4' energy: -138.689 flat angles C4'-P-C4' energy: -145.907 flat angles P-C4'-P energy: -92.807 tors. eta vs tors. theta energy: -203.529 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: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2159.621372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.621372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.621372 (E_RNA) where: Base-Base interactions energy: -1500.383 where: short stacking energy: -609.940 Base-Backbone interact. energy: -2.184 local terms energy: -657.054767 where: bonds (distance) C4'-P energy: -115.075 bonds (distance) P-C4' energy: -117.448 flat angles C4'-P-C4' energy: -149.331 flat angles P-C4'-P energy: -93.027 tors. eta vs tors. theta energy: -182.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1982.752055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.752055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.752055 (E_RNA) where: Base-Base interactions energy: -1335.624 where: short stacking energy: -552.928 Base-Backbone interact. energy: -2.944 local terms energy: -644.184031 where: bonds (distance) C4'-P energy: -132.533 bonds (distance) P-C4' energy: -122.161 flat angles C4'-P-C4' energy: -140.686 flat angles P-C4'-P energy: -91.654 tors. eta vs tors. theta energy: -157.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1810.833842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.833842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.833842 (E_RNA) where: Base-Base interactions energy: -1212.214 where: short stacking energy: -512.347 Base-Backbone interact. energy: 1.674 local terms energy: -600.293686 where: bonds (distance) C4'-P energy: -120.861 bonds (distance) P-C4' energy: -129.050 flat angles C4'-P-C4' energy: -129.337 flat angles P-C4'-P energy: -77.939 tors. eta vs tors. theta energy: -143.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1574.319720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.319720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.319720 (E_RNA) where: Base-Base interactions energy: -1039.542 where: short stacking energy: -438.862 Base-Backbone interact. energy: 1.671 local terms energy: -536.449605 where: bonds (distance) C4'-P energy: -109.398 bonds (distance) P-C4' energy: -110.562 flat angles C4'-P-C4' energy: -120.355 flat angles P-C4'-P energy: -95.904 tors. eta vs tors. theta energy: -100.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1370.328302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.328302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.328302 (E_RNA) where: Base-Base interactions energy: -884.078 where: short stacking energy: -392.246 Base-Backbone interact. energy: 2.568 local terms energy: -488.818487 where: bonds (distance) C4'-P energy: -102.295 bonds (distance) P-C4' energy: -124.382 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -55.338 tors. eta vs tors. theta energy: -84.725 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: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -740.895872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.895872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.895872 (E_RNA) where: Base-Base interactions energy: -371.198 where: short stacking energy: -240.783 Base-Backbone interact. energy: 1.507 local terms energy: -371.205193 where: bonds (distance) C4'-P energy: -102.679 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -114.180 flat angles P-C4'-P energy: -43.073 tors. eta vs tors. theta energy: -14.205 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: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -509.355658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.355658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.355658 (E_RNA) where: Base-Base interactions energy: -173.733 where: short stacking energy: -133.009 Base-Backbone interact. energy: 5.119 local terms energy: -340.741953 where: bonds (distance) C4'-P energy: -112.065 bonds (distance) P-C4' energy: -123.342 flat angles C4'-P-C4' energy: -79.097 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: 31.682 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: 1, replica: 1 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2387.031020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.031020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.031020 (E_RNA) where: Base-Base interactions energy: -1659.701 where: short stacking energy: -700.572 Base-Backbone interact. energy: -4.294 local terms energy: -723.035458 where: bonds (distance) C4'-P energy: -127.820 bonds (distance) P-C4' energy: -142.063 flat angles C4'-P-C4' energy: -145.770 flat angles P-C4'-P energy: -97.790 tors. eta vs tors. theta energy: -209.592 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: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2292.713560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.713560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.713560 (E_RNA) where: Base-Base interactions energy: -1587.760 where: short stacking energy: -705.509 Base-Backbone interact. energy: -2.779 local terms energy: -702.173955 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -135.048 flat angles C4'-P-C4' energy: -141.864 flat angles P-C4'-P energy: -93.308 tors. eta vs tors. theta energy: -209.103 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: 3, replica: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2215.436953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.436953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.436953 (E_RNA) where: Base-Base interactions energy: -1555.876 where: short stacking energy: -640.199 Base-Backbone interact. energy: -3.547 local terms energy: -656.014233 where: bonds (distance) C4'-P energy: -116.904 bonds (distance) P-C4' energy: -120.646 flat angles C4'-P-C4' energy: -135.405 flat angles P-C4'-P energy: -95.613 tors. eta vs tors. theta energy: -187.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2122.610736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.610736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.610736 (E_RNA) where: Base-Base interactions energy: -1430.893 where: short stacking energy: -618.334 Base-Backbone interact. energy: -3.155 local terms energy: -688.562782 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -134.049 flat angles C4'-P-C4' energy: -151.743 flat angles P-C4'-P energy: -90.820 tors. eta vs tors. theta energy: -186.711 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: 5, replica: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1928.976570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.976570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.976570 (E_RNA) where: Base-Base interactions energy: -1325.886 where: short stacking energy: -557.566 Base-Backbone interact. energy: -3.488 local terms energy: -599.602125 where: bonds (distance) C4'-P energy: -118.345 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -131.813 flat angles P-C4'-P energy: -84.307 tors. eta vs tors. theta energy: -145.858 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: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1830.324688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.324688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.324688 (E_RNA) where: Base-Base interactions energy: -1270.223 where: short stacking energy: -560.178 Base-Backbone interact. energy: 1.677 local terms energy: -561.779505 where: bonds (distance) C4'-P energy: -104.639 bonds (distance) P-C4' energy: -106.860 flat angles C4'-P-C4' energy: -132.031 flat angles P-C4'-P energy: -76.269 tors. eta vs tors. theta energy: -141.981 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: 446 Temperature: 1.200000 Total energy: -1537.897922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.897922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.897922 (E_RNA) where: Base-Base interactions energy: -999.486 where: short stacking energy: -411.516 Base-Backbone interact. energy: -2.487 local terms energy: -535.924338 where: bonds (distance) C4'-P energy: -130.026 bonds (distance) P-C4' energy: -121.418 flat angles C4'-P-C4' energy: -116.806 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -97.730 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: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1406.392312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.392312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.392312 (E_RNA) where: Base-Base interactions energy: -919.122 where: short stacking energy: -406.846 Base-Backbone interact. energy: -0.210 local terms energy: -487.060642 where: bonds (distance) C4'-P energy: -106.769 bonds (distance) P-C4' energy: -116.091 flat angles C4'-P-C4' energy: -96.677 flat angles P-C4'-P energy: -78.002 tors. eta vs tors. theta energy: -89.522 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: 6 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -726.245069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.245069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.245069 (E_RNA) where: Base-Base interactions energy: -361.932 where: short stacking energy: -194.937 Base-Backbone interact. energy: 1.796 local terms energy: -366.108366 where: bonds (distance) C4'-P energy: -113.717 bonds (distance) P-C4' energy: -126.115 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -42.556 tors. eta vs tors. theta energy: 22.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -567.496993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.496993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.496993 (E_RNA) where: Base-Base interactions energy: -242.119 where: short stacking energy: -151.803 Base-Backbone interact. energy: 12.978 local terms energy: -338.356027 where: bonds (distance) C4'-P energy: -99.007 bonds (distance) P-C4' energy: -101.913 flat angles C4'-P-C4' energy: -110.499 flat angles P-C4'-P energy: -44.040 tors. eta vs tors. theta energy: 17.103 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: 447 Temperature: 0.900000 Total energy: -2383.676909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.676909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.676909 (E_RNA) where: Base-Base interactions energy: -1647.640 where: short stacking energy: -692.010 Base-Backbone interact. energy: 3.293 local terms energy: -739.330315 where: bonds (distance) C4'-P energy: -137.012 bonds (distance) P-C4' energy: -143.730 flat angles C4'-P-C4' energy: -147.955 flat angles P-C4'-P energy: -102.029 tors. eta vs tors. theta energy: -208.604 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2275.019893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.019893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.019893 (E_RNA) where: Base-Base interactions energy: -1565.515 where: short stacking energy: -679.629 Base-Backbone interact. energy: -1.547 local terms energy: -707.957785 where: bonds (distance) C4'-P energy: -120.306 bonds (distance) P-C4' energy: -140.930 flat angles C4'-P-C4' energy: -158.637 flat angles P-C4'-P energy: -96.104 tors. eta vs tors. theta energy: -191.982 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: 3, replica: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2213.732975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.732975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.732975 (E_RNA) where: Base-Base interactions energy: -1552.228 where: short stacking energy: -634.742 Base-Backbone interact. energy: -4.072 local terms energy: -657.433094 where: bonds (distance) C4'-P energy: -120.327 bonds (distance) P-C4' energy: -106.661 flat angles C4'-P-C4' energy: -152.763 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -182.175 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: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2164.626786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.626786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.626786 (E_RNA) where: Base-Base interactions energy: -1507.439 where: short stacking energy: -658.553 Base-Backbone interact. energy: -3.422 local terms energy: -653.765581 where: bonds (distance) C4'-P energy: -104.567 bonds (distance) P-C4' energy: -114.330 flat angles C4'-P-C4' energy: -143.344 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -206.167 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: 447 Temperature: 1.100000 Total energy: -1922.185379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.185379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.185379 (E_RNA) where: Base-Base interactions energy: -1312.814 where: short stacking energy: -562.600 Base-Backbone interact. energy: -0.908 local terms energy: -608.463292 where: bonds (distance) C4'-P energy: -103.180 bonds (distance) P-C4' energy: -130.756 flat angles C4'-P-C4' energy: -139.983 flat angles P-C4'-P energy: -79.160 tors. eta vs tors. theta energy: -155.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1815.504545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.504545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.504545 (E_RNA) where: Base-Base interactions energy: -1228.866 where: short stacking energy: -500.273 Base-Backbone interact. energy: -4.220 local terms energy: -582.417587 where: bonds (distance) C4'-P energy: -109.443 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -133.034 flat angles P-C4'-P energy: -81.408 tors. eta vs tors. theta energy: -138.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1510.133587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.133587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.133587 (E_RNA) where: Base-Base interactions energy: -985.054 where: short stacking energy: -422.286 Base-Backbone interact. energy: 1.870 local terms energy: -526.949116 where: bonds (distance) C4'-P energy: -102.771 bonds (distance) P-C4' energy: -117.602 flat angles C4'-P-C4' energy: -116.442 flat angles P-C4'-P energy: -87.985 tors. eta vs tors. theta energy: -102.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1383.549591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.549591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.549591 (E_RNA) where: Base-Base interactions energy: -898.308 where: short stacking energy: -406.018 Base-Backbone interact. energy: 0.908 local terms energy: -486.149620 where: bonds (distance) C4'-P energy: -102.412 bonds (distance) P-C4' energy: -108.295 flat angles C4'-P-C4' energy: -107.056 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -102.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -763.117621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.117621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.117621 (E_RNA) where: Base-Base interactions energy: -372.154 where: short stacking energy: -235.981 Base-Backbone interact. energy: -1.112 local terms energy: -389.851849 where: bonds (distance) C4'-P energy: -100.381 bonds (distance) P-C4' energy: -109.982 flat angles C4'-P-C4' energy: -103.271 flat angles P-C4'-P energy: -48.521 tors. eta vs tors. theta energy: -27.697 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: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -499.076092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.076092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.076092 (E_RNA) where: Base-Base interactions energy: -162.518 where: short stacking energy: -122.503 Base-Backbone interact. energy: 2.004 local terms energy: -338.562617 where: bonds (distance) C4'-P energy: -110.040 bonds (distance) P-C4' energy: -118.181 flat angles C4'-P-C4' energy: -91.517 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: 33.963 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: 1, replica: 1 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2372.173580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.173580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.173580 (E_RNA) where: Base-Base interactions energy: -1646.235 where: short stacking energy: -705.371 Base-Backbone interact. energy: -0.372 local terms energy: -725.566729 where: bonds (distance) C4'-P energy: -127.609 bonds (distance) P-C4' energy: -128.453 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -103.975 tors. eta vs tors. theta energy: -212.607 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: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2293.291832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.291832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.291832 (E_RNA) where: Base-Base interactions energy: -1565.225 where: short stacking energy: -699.960 Base-Backbone interact. energy: -2.451 local terms energy: -725.615263 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -124.679 flat angles C4'-P-C4' energy: -158.434 flat angles P-C4'-P energy: -99.501 tors. eta vs tors. theta energy: -218.068 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: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2268.166287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.166287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.166287 (E_RNA) where: Base-Base interactions energy: -1566.782 where: short stacking energy: -636.943 Base-Backbone interact. energy: -1.070 local terms energy: -700.314502 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -130.673 flat angles C4'-P-C4' energy: -151.276 flat angles P-C4'-P energy: -100.730 tors. eta vs tors. theta energy: -187.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2188.962851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.962851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.962851 (E_RNA) where: Base-Base interactions energy: -1498.718 where: short stacking energy: -639.097 Base-Backbone interact. energy: -3.596 local terms energy: -686.648170 where: bonds (distance) C4'-P energy: -113.789 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -148.706 flat angles P-C4'-P energy: -106.175 tors. eta vs tors. theta energy: -200.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1922.507269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.507269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.507269 (E_RNA) where: Base-Base interactions energy: -1307.813 where: short stacking energy: -568.302 Base-Backbone interact. energy: -1.543 local terms energy: -613.151469 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -130.715 flat angles C4'-P-C4' energy: -128.783 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -158.003 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1849.661590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.661590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.661590 (E_RNA) where: Base-Base interactions energy: -1255.699 where: short stacking energy: -535.664 Base-Backbone interact. energy: -1.083 local terms energy: -592.879985 where: bonds (distance) C4'-P energy: -121.343 bonds (distance) P-C4' energy: -114.001 flat angles C4'-P-C4' energy: -127.367 flat angles P-C4'-P energy: -94.743 tors. eta vs tors. theta energy: -135.426 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: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1553.056246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.056246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.056246 (E_RNA) where: Base-Base interactions energy: -1043.591 where: short stacking energy: -448.105 Base-Backbone interact. energy: 0.434 local terms energy: -509.899183 where: bonds (distance) C4'-P energy: -98.118 bonds (distance) P-C4' energy: -111.268 flat angles C4'-P-C4' energy: -114.536 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: -103.209 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: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1334.621127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.621127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.621127 (E_RNA) where: Base-Base interactions energy: -888.280 where: short stacking energy: -388.241 Base-Backbone interact. energy: 5.488 local terms energy: -451.829083 where: bonds (distance) C4'-P energy: -111.363 bonds (distance) P-C4' energy: -103.535 flat angles C4'-P-C4' energy: -110.650 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -69.832 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: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -696.659290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.659290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.659290 (E_RNA) where: Base-Base interactions energy: -331.150 where: short stacking energy: -190.801 Base-Backbone interact. energy: 4.406 local terms energy: -369.914934 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -120.404 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: 12.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -531.653759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.653759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.653759 (E_RNA) where: Base-Base interactions energy: -208.232 where: short stacking energy: -158.799 Base-Backbone interact. energy: 1.555 local terms energy: -324.976237 where: bonds (distance) C4'-P energy: -101.399 bonds (distance) P-C4' energy: -118.317 flat angles C4'-P-C4' energy: -87.843 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: 38.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2361.827458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.827458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.827458 (E_RNA) where: Base-Base interactions energy: -1634.855 where: short stacking energy: -701.562 Base-Backbone interact. energy: -4.138 local terms energy: -722.833983 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -136.868 flat angles C4'-P-C4' energy: -156.294 flat angles P-C4'-P energy: -101.556 tors. eta vs tors. theta energy: -200.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2318.804145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.804145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.804145 (E_RNA) where: Base-Base interactions energy: -1587.162 where: short stacking energy: -704.822 Base-Backbone interact. energy: -1.273 local terms energy: -730.369135 where: bonds (distance) C4'-P energy: -122.979 bonds (distance) P-C4' energy: -132.635 flat angles C4'-P-C4' energy: -158.421 flat angles P-C4'-P energy: -102.238 tors. eta vs tors. theta energy: -214.096 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: 7 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2238.440932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.440932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.440932 (E_RNA) where: Base-Base interactions energy: -1551.958 where: short stacking energy: -617.714 Base-Backbone interact. energy: -2.759 local terms energy: -683.723768 where: bonds (distance) C4'-P energy: -129.120 bonds (distance) P-C4' energy: -114.308 flat angles C4'-P-C4' energy: -146.394 flat angles P-C4'-P energy: -104.647 tors. eta vs tors. theta energy: -189.255 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: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2166.028527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.028527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.028527 (E_RNA) where: Base-Base interactions energy: -1517.881 where: short stacking energy: -650.147 Base-Backbone interact. energy: -2.087 local terms energy: -646.060927 where: bonds (distance) C4'-P energy: -99.379 bonds (distance) P-C4' energy: -113.599 flat angles C4'-P-C4' energy: -145.416 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -186.446 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: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1937.922885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.922885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.922885 (E_RNA) where: Base-Base interactions energy: -1339.713 where: short stacking energy: -577.714 Base-Backbone interact. energy: 1.349 local terms energy: -599.559284 where: bonds (distance) C4'-P energy: -99.366 bonds (distance) P-C4' energy: -114.900 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -75.992 tors. eta vs tors. theta energy: -170.209 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: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1883.154394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.154394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.154394 (E_RNA) where: Base-Base interactions energy: -1273.629 where: short stacking energy: -544.479 Base-Backbone interact. energy: -2.441 local terms energy: -607.084794 where: bonds (distance) C4'-P energy: -118.374 bonds (distance) P-C4' energy: -133.188 flat angles C4'-P-C4' energy: -123.807 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -157.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1540.704400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.704400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.704400 (E_RNA) where: Base-Base interactions energy: -1004.465 where: short stacking energy: -444.873 Base-Backbone interact. energy: -2.659 local terms energy: -533.580095 where: bonds (distance) C4'-P energy: -115.923 bonds (distance) P-C4' energy: -113.174 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -101.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1400.842484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.842484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.842484 (E_RNA) where: Base-Base interactions energy: -936.991 where: short stacking energy: -417.680 Base-Backbone interact. energy: 0.757 local terms energy: -464.608834 where: bonds (distance) C4'-P energy: -97.909 bonds (distance) P-C4' energy: -94.067 flat angles C4'-P-C4' energy: -108.578 flat angles P-C4'-P energy: -62.577 tors. eta vs tors. theta energy: -101.478 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: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -753.581799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.581799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.581799 (E_RNA) where: Base-Base interactions energy: -359.246 where: short stacking energy: -218.336 Base-Backbone interact. energy: 4.322 local terms energy: -398.658590 where: bonds (distance) C4'-P energy: -121.851 bonds (distance) P-C4' energy: -100.835 flat angles C4'-P-C4' energy: -106.863 flat angles P-C4'-P energy: -72.482 tors. eta vs tors. theta energy: 3.373 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: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -516.236659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.236659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.236659 (E_RNA) where: Base-Base interactions energy: -180.036 where: short stacking energy: -142.703 Base-Backbone interact. energy: 2.639 local terms energy: -338.839272 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -119.525 flat angles C4'-P-C4' energy: -82.035 flat angles P-C4'-P energy: -38.694 tors. eta vs tors. theta energy: 20.771 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: 450 Temperature: 0.900000 Total energy: -2363.683868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.683868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.683868 (E_RNA) where: Base-Base interactions energy: -1631.087 where: short stacking energy: -685.741 Base-Backbone interact. energy: 1.545 local terms energy: -734.141809 where: bonds (distance) C4'-P energy: -139.655 bonds (distance) P-C4' energy: -129.343 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -115.106 tors. eta vs tors. theta energy: -197.927 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2304.807152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.807152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.807152 (E_RNA) where: Base-Base interactions energy: -1572.087 where: short stacking energy: -691.565 Base-Backbone interact. energy: -5.489 local terms energy: -727.231047 where: bonds (distance) C4'-P energy: -126.954 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -158.002 flat angles P-C4'-P energy: -103.583 tors. eta vs tors. theta energy: -208.724 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: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2229.178554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.178554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.178554 (E_RNA) where: Base-Base interactions energy: -1544.160 where: short stacking energy: -640.216 Base-Backbone interact. energy: -0.236 local terms energy: -684.782666 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -125.149 flat angles C4'-P-C4' energy: -144.988 flat angles P-C4'-P energy: -96.793 tors. eta vs tors. theta energy: -200.195 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: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2214.609787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.609787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.609787 (E_RNA) where: Base-Base interactions energy: -1537.134 where: short stacking energy: -623.811 Base-Backbone interact. energy: -3.356 local terms energy: -674.120109 where: bonds (distance) C4'-P energy: -133.984 bonds (distance) P-C4' energy: -121.671 flat angles C4'-P-C4' energy: -145.927 flat angles P-C4'-P energy: -93.050 tors. eta vs tors. theta energy: -179.487 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: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1960.382579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.382579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.382579 (E_RNA) where: Base-Base interactions energy: -1325.424 where: short stacking energy: -576.834 Base-Backbone interact. energy: -2.918 local terms energy: -632.040703 where: bonds (distance) C4'-P energy: -119.238 bonds (distance) P-C4' energy: -124.894 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -89.687 tors. eta vs tors. theta energy: -163.777 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: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1868.969682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.969682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.969682 (E_RNA) where: Base-Base interactions energy: -1278.608 where: short stacking energy: -561.634 Base-Backbone interact. energy: -1.800 local terms energy: -588.561690 where: bonds (distance) C4'-P energy: -123.180 bonds (distance) P-C4' energy: -112.519 flat angles C4'-P-C4' energy: -129.925 flat angles P-C4'-P energy: -71.758 tors. eta vs tors. theta energy: -151.180 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: 7, replica: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1568.473763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.473763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.473763 (E_RNA) where: Base-Base interactions energy: -1039.385 where: short stacking energy: -472.009 Base-Backbone interact. energy: -4.831 local terms energy: -524.257622 where: bonds (distance) C4'-P energy: -95.494 bonds (distance) P-C4' energy: -115.406 flat angles C4'-P-C4' energy: -129.624 flat angles P-C4'-P energy: -83.289 tors. eta vs tors. theta energy: -100.445 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: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1323.314584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.314584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.314584 (E_RNA) where: Base-Base interactions energy: -839.782 where: short stacking energy: -369.902 Base-Backbone interact. energy: -6.560 local terms energy: -476.972220 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -116.214 flat angles C4'-P-C4' energy: -114.795 flat angles P-C4'-P energy: -52.769 tors. eta vs tors. theta energy: -88.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -749.222305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.222305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.222305 (E_RNA) where: Base-Base interactions energy: -382.734 where: short stacking energy: -218.824 Base-Backbone interact. energy: 7.357 local terms energy: -373.845098 where: bonds (distance) C4'-P energy: -100.462 bonds (distance) P-C4' energy: -112.086 flat angles C4'-P-C4' energy: -102.304 flat angles P-C4'-P energy: -57.279 tors. eta vs tors. theta energy: -1.714 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: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -487.751989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.751989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.751989 (E_RNA) where: Base-Base interactions energy: -151.773 where: short stacking energy: -143.639 Base-Backbone interact. energy: -2.500 local terms energy: -333.478665 where: bonds (distance) C4'-P energy: -96.868 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -91.761 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: 22.219 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: 1, replica: 1 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2361.198154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.198154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.198154 (E_RNA) where: Base-Base interactions energy: -1642.778 where: short stacking energy: -686.146 Base-Backbone interact. energy: -3.128 local terms energy: -715.292196 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -131.366 flat angles C4'-P-C4' energy: -160.012 flat angles P-C4'-P energy: -88.715 tors. eta vs tors. theta energy: -196.915 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: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2278.082956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.082956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.082956 (E_RNA) where: Base-Base interactions energy: -1564.350 where: short stacking energy: -697.605 Base-Backbone interact. energy: -3.449 local terms energy: -710.284369 where: bonds (distance) C4'-P energy: -139.964 bonds (distance) P-C4' energy: -119.135 flat angles C4'-P-C4' energy: -149.522 flat angles P-C4'-P energy: -92.455 tors. eta vs tors. theta energy: -209.207 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: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2219.037764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.037764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.037764 (E_RNA) where: Base-Base interactions energy: -1516.624 where: short stacking energy: -658.435 Base-Backbone interact. energy: -1.299 local terms energy: -701.114072 where: bonds (distance) C4'-P energy: -113.572 bonds (distance) P-C4' energy: -137.561 flat angles C4'-P-C4' energy: -142.855 flat angles P-C4'-P energy: -106.672 tors. eta vs tors. theta energy: -200.454 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: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2191.294809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.294809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.294809 (E_RNA) where: Base-Base interactions energy: -1546.284 where: short stacking energy: -619.672 Base-Backbone interact. energy: -3.271 local terms energy: -641.739401 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -131.941 flat angles C4'-P-C4' energy: -133.547 flat angles P-C4'-P energy: -93.694 tors. eta vs tors. theta energy: -170.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1963.893134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.893134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.893134 (E_RNA) where: Base-Base interactions energy: -1326.922 where: short stacking energy: -564.575 Base-Backbone interact. energy: -2.805 local terms energy: -634.165983 where: bonds (distance) C4'-P energy: -116.825 bonds (distance) P-C4' energy: -126.701 flat angles C4'-P-C4' energy: -127.453 flat angles P-C4'-P energy: -98.492 tors. eta vs tors. theta energy: -164.696 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: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1938.349956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.349956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.349956 (E_RNA) where: Base-Base interactions energy: -1330.673 where: short stacking energy: -546.235 Base-Backbone interact. energy: -0.501 local terms energy: -607.176706 where: bonds (distance) C4'-P energy: -130.180 bonds (distance) P-C4' energy: -109.967 flat angles C4'-P-C4' energy: -134.079 flat angles P-C4'-P energy: -85.318 tors. eta vs tors. theta energy: -147.633 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: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1569.527379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.527379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.527379 (E_RNA) where: Base-Base interactions energy: -1037.530 where: short stacking energy: -463.148 Base-Backbone interact. energy: -1.274 local terms energy: -530.723402 where: bonds (distance) C4'-P energy: -113.049 bonds (distance) P-C4' energy: -125.535 flat angles C4'-P-C4' energy: -118.765 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -97.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1351.598308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.598308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.598308 (E_RNA) where: Base-Base interactions energy: -877.914 where: short stacking energy: -387.255 Base-Backbone interact. energy: -1.389 local terms energy: -472.295165 where: bonds (distance) C4'-P energy: -94.398 bonds (distance) P-C4' energy: -110.409 flat angles C4'-P-C4' energy: -119.832 flat angles P-C4'-P energy: -69.063 tors. eta vs tors. theta energy: -78.593 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: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -736.937817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.937817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.937817 (E_RNA) where: Base-Base interactions energy: -339.549 where: short stacking energy: -214.183 Base-Backbone interact. energy: 4.186 local terms energy: -401.574294 where: bonds (distance) C4'-P energy: -118.020 bonds (distance) P-C4' energy: -90.851 flat angles C4'-P-C4' energy: -114.288 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -24.137 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: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -497.194831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.194831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.194831 (E_RNA) where: Base-Base interactions energy: -163.085 where: short stacking energy: -146.212 Base-Backbone interact. energy: 3.650 local terms energy: -337.759723 where: bonds (distance) C4'-P energy: -105.382 bonds (distance) P-C4' energy: -102.619 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -63.161 tors. eta vs tors. theta energy: 14.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2360.232948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.232948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.232948 (E_RNA) where: Base-Base interactions energy: -1620.041 where: short stacking energy: -702.347 Base-Backbone interact. energy: -0.011 local terms energy: -740.180574 where: bonds (distance) C4'-P energy: -128.689 bonds (distance) P-C4' energy: -126.764 flat angles C4'-P-C4' energy: -160.267 flat angles P-C4'-P energy: -112.953 tors. eta vs tors. theta energy: -211.507 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: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2290.044543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.044543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.044543 (E_RNA) where: Base-Base interactions energy: -1572.525 where: short stacking energy: -692.475 Base-Backbone interact. energy: -3.997 local terms energy: -713.522542 where: bonds (distance) C4'-P energy: -136.629 bonds (distance) P-C4' energy: -125.639 flat angles C4'-P-C4' energy: -147.403 flat angles P-C4'-P energy: -102.922 tors. eta vs tors. theta energy: -200.930 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: 7 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2258.524969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.524969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.524969 (E_RNA) where: Base-Base interactions energy: -1592.497 where: short stacking energy: -652.527 Base-Backbone interact. energy: -2.354 local terms energy: -663.673931 where: bonds (distance) C4'-P energy: -122.783 bonds (distance) P-C4' energy: -120.357 flat angles C4'-P-C4' energy: -134.167 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -181.538 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: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2119.740389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.740389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.740389 (E_RNA) where: Base-Base interactions energy: -1447.951 where: short stacking energy: -654.716 Base-Backbone interact. energy: -0.935 local terms energy: -670.854658 where: bonds (distance) C4'-P energy: -126.256 bonds (distance) P-C4' energy: -124.306 flat angles C4'-P-C4' energy: -141.098 flat angles P-C4'-P energy: -90.539 tors. eta vs tors. theta energy: -188.655 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: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1997.556004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.556004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.556004 (E_RNA) where: Base-Base interactions energy: -1362.821 where: short stacking energy: -585.895 Base-Backbone interact. energy: 2.265 local terms energy: -636.999130 where: bonds (distance) C4'-P energy: -112.999 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -145.137 flat angles P-C4'-P energy: -83.119 tors. eta vs tors. theta energy: -178.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1861.766279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.766279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.766279 (E_RNA) where: Base-Base interactions energy: -1272.818 where: short stacking energy: -512.098 Base-Backbone interact. energy: -3.107 local terms energy: -585.840978 where: bonds (distance) C4'-P energy: -106.370 bonds (distance) P-C4' energy: -126.309 flat angles C4'-P-C4' energy: -131.871 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -134.432 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: 9 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1550.510357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.510357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.510357 (E_RNA) where: Base-Base interactions energy: -1018.396 where: short stacking energy: -452.080 Base-Backbone interact. energy: -2.793 local terms energy: -529.320666 where: bonds (distance) C4'-P energy: -93.092 bonds (distance) P-C4' energy: -120.191 flat angles C4'-P-C4' energy: -138.248 flat angles P-C4'-P energy: -77.800 tors. eta vs tors. theta energy: -99.989 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: 8, replica: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1339.017135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.017135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.017135 (E_RNA) where: Base-Base interactions energy: -886.619 where: short stacking energy: -367.067 Base-Backbone interact. energy: -0.393 local terms energy: -452.005012 where: bonds (distance) C4'-P energy: -102.890 bonds (distance) P-C4' energy: -111.309 flat angles C4'-P-C4' energy: -94.232 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -80.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -738.937876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.937876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.937876 (E_RNA) where: Base-Base interactions energy: -333.644 where: short stacking energy: -202.633 Base-Backbone interact. energy: -1.499 local terms energy: -403.794549 where: bonds (distance) C4'-P energy: -116.734 bonds (distance) P-C4' energy: -101.629 flat angles C4'-P-C4' energy: -104.863 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -578.922607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.922607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.922607 (E_RNA) where: Base-Base interactions energy: -208.376 where: short stacking energy: -193.636 Base-Backbone interact. energy: -2.105 local terms energy: -368.441012 where: bonds (distance) C4'-P energy: -68.393 bonds (distance) P-C4' energy: -117.623 flat angles C4'-P-C4' energy: -111.987 flat angles P-C4'-P energy: -68.322 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2386.784052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.784052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.784052 (E_RNA) where: Base-Base interactions energy: -1670.867 where: short stacking energy: -703.866 Base-Backbone interact. energy: -3.515 local terms energy: -712.401929 where: bonds (distance) C4'-P energy: -137.761 bonds (distance) P-C4' energy: -137.158 flat angles C4'-P-C4' energy: -138.176 flat angles P-C4'-P energy: -103.161 tors. eta vs tors. theta energy: -196.146 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: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2294.250086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.250086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.250086 (E_RNA) where: Base-Base interactions energy: -1554.093 where: short stacking energy: -669.657 Base-Backbone interact. energy: -1.626 local terms energy: -738.531476 where: bonds (distance) C4'-P energy: -139.364 bonds (distance) P-C4' energy: -135.951 flat angles C4'-P-C4' energy: -154.147 flat angles P-C4'-P energy: -99.413 tors. eta vs tors. theta energy: -209.656 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: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2281.135034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.135034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.135034 (E_RNA) where: Base-Base interactions energy: -1606.928 where: short stacking energy: -663.774 Base-Backbone interact. energy: -1.076 local terms energy: -673.131336 where: bonds (distance) C4'-P energy: -120.590 bonds (distance) P-C4' energy: -121.374 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -192.312 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: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2130.192562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.192562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.192562 (E_RNA) where: Base-Base interactions energy: -1445.810 where: short stacking energy: -649.969 Base-Backbone interact. energy: -2.153 local terms energy: -682.229845 where: bonds (distance) C4'-P energy: -120.163 bonds (distance) P-C4' energy: -119.607 flat angles C4'-P-C4' energy: -141.110 flat angles P-C4'-P energy: -109.297 tors. eta vs tors. theta energy: -192.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2008.379380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.379380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.379380 (E_RNA) where: Base-Base interactions energy: -1394.382 where: short stacking energy: -582.077 Base-Backbone interact. energy: -5.406 local terms energy: -608.591738 where: bonds (distance) C4'-P energy: -108.679 bonds (distance) P-C4' energy: -101.847 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -79.142 tors. eta vs tors. theta energy: -175.181 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: 6, replica: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1826.127578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.127578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.127578 (E_RNA) where: Base-Base interactions energy: -1230.219 where: short stacking energy: -508.318 Base-Backbone interact. energy: -2.818 local terms energy: -593.090543 where: bonds (distance) C4'-P energy: -120.923 bonds (distance) P-C4' energy: -132.774 flat angles C4'-P-C4' energy: -122.355 flat angles P-C4'-P energy: -83.028 tors. eta vs tors. theta energy: -134.010 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: 7, replica: 9 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1559.849955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.849955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.849955 (E_RNA) where: Base-Base interactions energy: -1012.420 where: short stacking energy: -446.365 Base-Backbone interact. energy: 1.178 local terms energy: -548.608580 where: bonds (distance) C4'-P energy: -90.085 bonds (distance) P-C4' energy: -137.510 flat angles C4'-P-C4' energy: -130.344 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -111.303 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: 8, replica: 3 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1316.246168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.246168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.246168 (E_RNA) where: Base-Base interactions energy: -840.056 where: short stacking energy: -362.115 Base-Backbone interact. energy: -0.106 local terms energy: -476.084346 where: bonds (distance) C4'-P energy: -113.781 bonds (distance) P-C4' energy: -116.425 flat angles C4'-P-C4' energy: -107.259 flat angles P-C4'-P energy: -61.317 tors. eta vs tors. theta energy: -77.303 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: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -775.139819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.139819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.139819 (E_RNA) where: Base-Base interactions energy: -419.757 where: short stacking energy: -244.184 Base-Backbone interact. energy: -2.818 local terms energy: -352.564117 where: bonds (distance) C4'-P energy: -88.734 bonds (distance) P-C4' energy: -119.461 flat angles C4'-P-C4' energy: -96.907 flat angles P-C4'-P energy: -32.183 tors. eta vs tors. theta energy: -15.279 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: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -584.807999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.807999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.807999 (E_RNA) where: Base-Base interactions energy: -236.631 where: short stacking energy: -174.546 Base-Backbone interact. energy: 0.712 local terms energy: -348.888524 where: bonds (distance) C4'-P energy: -110.395 bonds (distance) P-C4' energy: -138.078 flat angles C4'-P-C4' energy: -90.934 flat angles P-C4'-P energy: -25.185 tors. eta vs tors. theta energy: 15.702 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: 1, replica: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2388.861627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.861627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.861627 (E_RNA) where: Base-Base interactions energy: -1662.154 where: short stacking energy: -689.779 Base-Backbone interact. energy: -4.478 local terms energy: -722.229708 where: bonds (distance) C4'-P energy: -122.382 bonds (distance) P-C4' energy: -136.889 flat angles C4'-P-C4' energy: -148.581 flat angles P-C4'-P energy: -98.553 tors. eta vs tors. theta energy: -215.825 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: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2267.060468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.060468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.060468 (E_RNA) where: Base-Base interactions energy: -1561.223 where: short stacking energy: -679.936 Base-Backbone interact. energy: -5.372 local terms energy: -700.465646 where: bonds (distance) C4'-P energy: -128.420 bonds (distance) P-C4' energy: -128.887 flat angles C4'-P-C4' energy: -146.071 flat angles P-C4'-P energy: -96.741 tors. eta vs tors. theta energy: -200.347 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: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2262.960281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.960281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.960281 (E_RNA) where: Base-Base interactions energy: -1578.213 where: short stacking energy: -639.261 Base-Backbone interact. energy: -0.987 local terms energy: -683.760143 where: bonds (distance) C4'-P energy: -119.874 bonds (distance) P-C4' energy: -126.388 flat angles C4'-P-C4' energy: -150.851 flat angles P-C4'-P energy: -96.406 tors. eta vs tors. theta energy: -190.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2153.198579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.198579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.198579 (E_RNA) where: Base-Base interactions energy: -1480.745 where: short stacking energy: -646.530 Base-Backbone interact. energy: -1.392 local terms energy: -671.061268 where: bonds (distance) C4'-P energy: -113.010 bonds (distance) P-C4' energy: -127.220 flat angles C4'-P-C4' energy: -145.437 flat angles P-C4'-P energy: -89.861 tors. eta vs tors. theta energy: -195.534 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: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2026.042512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.042512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.042512 (E_RNA) where: Base-Base interactions energy: -1392.132 where: short stacking energy: -622.555 Base-Backbone interact. energy: -4.666 local terms energy: -629.244491 where: bonds (distance) C4'-P energy: -95.992 bonds (distance) P-C4' energy: -114.949 flat angles C4'-P-C4' energy: -151.908 flat angles P-C4'-P energy: -93.220 tors. eta vs tors. theta energy: -173.175 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: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1864.951011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.951011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.951011 (E_RNA) where: Base-Base interactions energy: -1256.029 where: short stacking energy: -511.007 Base-Backbone interact. energy: -3.435 local terms energy: -605.487713 where: bonds (distance) C4'-P energy: -116.699 bonds (distance) P-C4' energy: -122.194 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -87.679 tors. eta vs tors. theta energy: -159.205 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: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1538.632001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.632001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.632001 (E_RNA) where: Base-Base interactions energy: -985.660 where: short stacking energy: -453.389 Base-Backbone interact. energy: -0.560 local terms energy: -552.412244 where: bonds (distance) C4'-P energy: -111.158 bonds (distance) P-C4' energy: -116.230 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -81.660 tors. eta vs tors. theta energy: -107.965 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: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1405.547837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.547837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.547837 (E_RNA) where: Base-Base interactions energy: -888.613 where: short stacking energy: -403.226 Base-Backbone interact. energy: 1.710 local terms energy: -518.644878 where: bonds (distance) C4'-P energy: -119.360 bonds (distance) P-C4' energy: -120.078 flat angles C4'-P-C4' energy: -105.739 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: -103.714 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: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -760.219005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.219005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.219005 (E_RNA) where: Base-Base interactions energy: -391.208 where: short stacking energy: -210.234 Base-Backbone interact. energy: -2.933 local terms energy: -366.077999 where: bonds (distance) C4'-P energy: -92.339 bonds (distance) P-C4' energy: -118.216 flat angles C4'-P-C4' energy: -95.683 flat angles P-C4'-P energy: -66.553 tors. eta vs tors. theta energy: 6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -574.594240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.594240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.594240 (E_RNA) where: Base-Base interactions energy: -234.532 where: short stacking energy: -172.591 Base-Backbone interact. energy: 1.510 local terms energy: -341.572303 where: bonds (distance) C4'-P energy: -86.439 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -94.139 flat angles P-C4'-P energy: -64.082 tors. eta vs tors. theta energy: 10.959 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: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2376.191149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.191149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.191149 (E_RNA) where: Base-Base interactions energy: -1643.651 where: short stacking energy: -687.577 Base-Backbone interact. energy: -3.133 local terms energy: -729.407131 where: bonds (distance) C4'-P energy: -134.890 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -155.574 flat angles P-C4'-P energy: -107.468 tors. eta vs tors. theta energy: -197.846 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: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2252.007823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.007823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.007823 (E_RNA) where: Base-Base interactions energy: -1544.975 where: short stacking energy: -670.224 Base-Backbone interact. energy: -3.442 local terms energy: -703.590343 where: bonds (distance) C4'-P energy: -134.934 bonds (distance) P-C4' energy: -128.598 flat angles C4'-P-C4' energy: -157.729 flat angles P-C4'-P energy: -80.224 tors. eta vs tors. theta energy: -202.105 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: 3, replica: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2241.780259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.780259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.780259 (E_RNA) where: Base-Base interactions energy: -1546.056 where: short stacking energy: -613.646 Base-Backbone interact. energy: -2.404 local terms energy: -693.320566 where: bonds (distance) C4'-P energy: -128.331 bonds (distance) P-C4' energy: -128.494 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -99.658 tors. eta vs tors. theta energy: -192.183 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: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2158.298712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.298712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.298712 (E_RNA) where: Base-Base interactions energy: -1472.498 where: short stacking energy: -640.514 Base-Backbone interact. energy: -6.430 local terms energy: -679.371075 where: bonds (distance) C4'-P energy: -126.366 bonds (distance) P-C4' energy: -124.315 flat angles C4'-P-C4' energy: -136.237 flat angles P-C4'-P energy: -92.799 tors. eta vs tors. theta energy: -199.655 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: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2041.172187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.172187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.172187 (E_RNA) where: Base-Base interactions energy: -1380.464 where: short stacking energy: -621.940 Base-Backbone interact. energy: 2.966 local terms energy: -663.674204 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -120.632 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -102.971 tors. eta vs tors. theta energy: -193.772 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: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1901.217748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.217748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.217748 (E_RNA) where: Base-Base interactions energy: -1274.337 where: short stacking energy: -540.630 Base-Backbone interact. energy: -2.264 local terms energy: -624.617589 where: bonds (distance) C4'-P energy: -127.890 bonds (distance) P-C4' energy: -115.511 flat angles C4'-P-C4' energy: -142.648 flat angles P-C4'-P energy: -77.116 tors. eta vs tors. theta energy: -161.453 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: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1484.801614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.801614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.801614 (E_RNA) where: Base-Base interactions energy: -953.277 where: short stacking energy: -424.426 Base-Backbone interact. energy: 0.636 local terms energy: -532.160871 where: bonds (distance) C4'-P energy: -123.615 bonds (distance) P-C4' energy: -112.811 flat angles C4'-P-C4' energy: -113.678 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -102.856 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: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1367.776649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.776649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.776649 (E_RNA) where: Base-Base interactions energy: -887.079 where: short stacking energy: -386.495 Base-Backbone interact. energy: -0.939 local terms energy: -479.758554 where: bonds (distance) C4'-P energy: -101.328 bonds (distance) P-C4' energy: -121.861 flat angles C4'-P-C4' energy: -99.233 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -91.713 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: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -838.004412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.004412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.004412 (E_RNA) where: Base-Base interactions energy: -450.367 where: short stacking energy: -265.385 Base-Backbone interact. energy: -2.427 local terms energy: -385.211257 where: bonds (distance) C4'-P energy: -106.925 bonds (distance) P-C4' energy: -135.070 flat angles C4'-P-C4' energy: -90.049 flat angles P-C4'-P energy: -32.969 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -641.627741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.627741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.627741 (E_RNA) where: Base-Base interactions energy: -291.940 where: short stacking energy: -150.854 Base-Backbone interact. energy: 6.625 local terms energy: -356.312114 where: bonds (distance) C4'-P energy: -106.664 bonds (distance) P-C4' energy: -98.075 flat angles C4'-P-C4' energy: -109.177 flat angles P-C4'-P energy: -49.731 tors. eta vs tors. theta energy: 7.335 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: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2373.507226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.507226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.507226 (E_RNA) where: Base-Base interactions energy: -1633.349 where: short stacking energy: -694.707 Base-Backbone interact. energy: 1.631 local terms energy: -741.788829 where: bonds (distance) C4'-P energy: -138.592 bonds (distance) P-C4' energy: -132.918 flat angles C4'-P-C4' energy: -152.458 flat angles P-C4'-P energy: -105.370 tors. eta vs tors. theta energy: -212.451 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: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2290.033936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.033936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.033936 (E_RNA) where: Base-Base interactions energy: -1579.724 where: short stacking energy: -674.301 Base-Backbone interact. energy: -1.030 local terms energy: -709.279865 where: bonds (distance) C4'-P energy: -122.985 bonds (distance) P-C4' energy: -120.050 flat angles C4'-P-C4' energy: -163.899 flat angles P-C4'-P energy: -97.416 tors. eta vs tors. theta energy: -204.930 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: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2214.616764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.616764 (E_RNA) where: Base-Base interactions energy: -1530.903 where: short stacking energy: -638.798 Base-Backbone interact. energy: -2.952 local terms energy: -680.761774 where: bonds (distance) C4'-P energy: -125.299 bonds (distance) P-C4' energy: -116.593 flat angles C4'-P-C4' energy: -148.425 flat angles P-C4'-P energy: -95.142 tors. eta vs tors. theta energy: -195.303 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: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2183.914455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.914455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.914455 (E_RNA) where: Base-Base interactions energy: -1485.383 where: short stacking energy: -642.870 Base-Backbone interact. energy: -0.046 local terms energy: -698.485129 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -124.404 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -106.298 tors. eta vs tors. theta energy: -200.371 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: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2004.148337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.148337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.148337 (E_RNA) where: Base-Base interactions energy: -1364.615 where: short stacking energy: -574.899 Base-Backbone interact. energy: -2.938 local terms energy: -636.595839 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -127.998 flat angles C4'-P-C4' energy: -133.563 flat angles P-C4'-P energy: -97.820 tors. eta vs tors. theta energy: -166.959 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: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1894.943446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.943446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.943446 (E_RNA) where: Base-Base interactions energy: -1296.339 where: short stacking energy: -533.884 Base-Backbone interact. energy: -2.614 local terms energy: -595.990412 where: bonds (distance) C4'-P energy: -109.968 bonds (distance) P-C4' energy: -100.754 flat angles C4'-P-C4' energy: -127.906 flat angles P-C4'-P energy: -91.336 tors. eta vs tors. theta energy: -166.026 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: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1459.867243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.867243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.867243 (E_RNA) where: Base-Base interactions energy: -966.383 where: short stacking energy: -437.689 Base-Backbone interact. energy: 0.192 local terms energy: -493.676011 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -97.454 flat angles C4'-P-C4' energy: -117.686 flat angles P-C4'-P energy: -74.635 tors. eta vs tors. theta energy: -97.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1373.458508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.458508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.458508 (E_RNA) where: Base-Base interactions energy: -865.868 where: short stacking energy: -377.631 Base-Backbone interact. energy: -1.076 local terms energy: -506.514031 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -117.317 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: -91.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -832.439276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.439276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.439276 (E_RNA) where: Base-Base interactions energy: -427.685 where: short stacking energy: -232.446 Base-Backbone interact. energy: -1.755 local terms energy: -402.999763 where: bonds (distance) C4'-P energy: -105.918 bonds (distance) P-C4' energy: -117.318 flat angles C4'-P-C4' energy: -95.842 flat angles P-C4'-P energy: -54.878 tors. eta vs tors. theta energy: -29.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -641.815248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.815248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.815248 (E_RNA) where: Base-Base interactions energy: -285.131 where: short stacking energy: -168.958 Base-Backbone interact. energy: -4.143 local terms energy: -352.542156 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -124.112 flat angles C4'-P-C4' energy: -78.974 flat angles P-C4'-P energy: -56.799 tors. eta vs tors. theta energy: -0.089 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: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2396.547158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.547158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.547158 (E_RNA) where: Base-Base interactions energy: -1666.998 where: short stacking energy: -679.496 Base-Backbone interact. energy: -1.371 local terms energy: -728.177899 where: bonds (distance) C4'-P energy: -139.163 bonds (distance) P-C4' energy: -135.912 flat angles C4'-P-C4' energy: -158.216 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -201.028 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: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2304.048224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.048224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.048224 (E_RNA) where: Base-Base interactions energy: -1584.316 where: short stacking energy: -679.648 Base-Backbone interact. energy: 0.921 local terms energy: -720.652543 where: bonds (distance) C4'-P energy: -128.952 bonds (distance) P-C4' energy: -133.376 flat angles C4'-P-C4' energy: -151.576 flat angles P-C4'-P energy: -93.698 tors. eta vs tors. theta energy: -213.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2224.690335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.690335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.690335 (E_RNA) where: Base-Base interactions energy: -1573.316 where: short stacking energy: -646.795 Base-Backbone interact. energy: 0.283 local terms energy: -651.656819 where: bonds (distance) C4'-P energy: -117.618 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -127.131 flat angles P-C4'-P energy: -100.959 tors. eta vs tors. theta energy: -176.409 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: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2148.780966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.780966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.780966 (E_RNA) where: Base-Base interactions energy: -1474.060 where: short stacking energy: -634.988 Base-Backbone interact. energy: -0.615 local terms energy: -674.106486 where: bonds (distance) C4'-P energy: -109.531 bonds (distance) P-C4' energy: -126.774 flat angles C4'-P-C4' energy: -146.284 flat angles P-C4'-P energy: -94.942 tors. eta vs tors. theta energy: -196.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2038.406829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.406829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.406829 (E_RNA) where: Base-Base interactions energy: -1426.358 where: short stacking energy: -612.075 Base-Backbone interact. energy: -1.385 local terms energy: -610.663870 where: bonds (distance) C4'-P energy: -108.329 bonds (distance) P-C4' energy: -113.771 flat angles C4'-P-C4' energy: -136.226 flat angles P-C4'-P energy: -75.535 tors. eta vs tors. theta energy: -176.802 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: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1882.091480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.091480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.091480 (E_RNA) where: Base-Base interactions energy: -1266.523 where: short stacking energy: -533.209 Base-Backbone interact. energy: 1.802 local terms energy: -617.370391 where: bonds (distance) C4'-P energy: -120.957 bonds (distance) P-C4' energy: -127.924 flat angles C4'-P-C4' energy: -136.295 flat angles P-C4'-P energy: -90.155 tors. eta vs tors. theta energy: -142.039 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: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1471.885107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.885107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.885107 (E_RNA) where: Base-Base interactions energy: -926.200 where: short stacking energy: -411.881 Base-Backbone interact. energy: -5.004 local terms energy: -540.681199 where: bonds (distance) C4'-P energy: -100.520 bonds (distance) P-C4' energy: -124.640 flat angles C4'-P-C4' energy: -130.361 flat angles P-C4'-P energy: -90.660 tors. eta vs tors. theta energy: -94.500 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: 8, replica: 3 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1299.660984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.660984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.660984 (E_RNA) where: Base-Base interactions energy: -821.319 where: short stacking energy: -382.673 Base-Backbone interact. energy: 2.837 local terms energy: -481.178643 where: bonds (distance) C4'-P energy: -107.862 bonds (distance) P-C4' energy: -113.627 flat angles C4'-P-C4' energy: -133.686 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: -78.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -856.090869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.090869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.090869 (E_RNA) where: Base-Base interactions energy: -460.290 where: short stacking energy: -266.253 Base-Backbone interact. energy: -0.919 local terms energy: -394.881606 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -114.160 flat angles C4'-P-C4' energy: -97.060 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -22.234 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: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -620.088000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.088000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.088000 (E_RNA) where: Base-Base interactions energy: -259.113 where: short stacking energy: -164.708 Base-Backbone interact. energy: -0.644 local terms energy: -360.330819 where: bonds (distance) C4'-P energy: -110.368 bonds (distance) P-C4' energy: -109.538 flat angles C4'-P-C4' energy: -108.716 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: 13.823 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: 458 Temperature: 0.900000 Total energy: -2382.643675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.643675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.643675 (E_RNA) where: Base-Base interactions energy: -1644.967 where: short stacking energy: -676.065 Base-Backbone interact. energy: -1.036 local terms energy: -736.640161 where: bonds (distance) C4'-P energy: -140.174 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -149.228 flat angles P-C4'-P energy: -100.334 tors. eta vs tors. theta energy: -202.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2304.806628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.806628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.806628 (E_RNA) where: Base-Base interactions energy: -1591.251 where: short stacking energy: -691.502 Base-Backbone interact. energy: -6.151 local terms energy: -707.404716 where: bonds (distance) C4'-P energy: -108.285 bonds (distance) P-C4' energy: -134.736 flat angles C4'-P-C4' energy: -156.290 flat angles P-C4'-P energy: -97.118 tors. eta vs tors. theta energy: -210.976 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: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2258.905080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.905080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.905080 (E_RNA) where: Base-Base interactions energy: -1561.057 where: short stacking energy: -634.746 Base-Backbone interact. energy: -1.625 local terms energy: -696.223749 where: bonds (distance) C4'-P energy: -125.846 bonds (distance) P-C4' energy: -134.426 flat angles C4'-P-C4' energy: -145.031 flat angles P-C4'-P energy: -106.519 tors. eta vs tors. theta energy: -184.403 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: 4, replica: 2 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2208.115629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.115629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.115629 (E_RNA) where: Base-Base interactions energy: -1521.255 where: short stacking energy: -665.802 Base-Backbone interact. energy: -0.152 local terms energy: -686.709331 where: bonds (distance) C4'-P energy: -107.076 bonds (distance) P-C4' energy: -114.507 flat angles C4'-P-C4' energy: -152.150 flat angles P-C4'-P energy: -106.676 tors. eta vs tors. theta energy: -206.299 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: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2050.920959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.920959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.920959 (E_RNA) where: Base-Base interactions energy: -1435.091 where: short stacking energy: -607.872 Base-Backbone interact. energy: 1.840 local terms energy: -617.670557 where: bonds (distance) C4'-P energy: -111.578 bonds (distance) P-C4' energy: -124.451 flat angles C4'-P-C4' energy: -139.291 flat angles P-C4'-P energy: -66.380 tors. eta vs tors. theta energy: -175.970 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: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1858.466837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.466837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.466837 (E_RNA) where: Base-Base interactions energy: -1269.553 where: short stacking energy: -556.839 Base-Backbone interact. energy: 0.672 local terms energy: -589.585591 where: bonds (distance) C4'-P energy: -103.328 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -141.876 flat angles P-C4'-P energy: -79.562 tors. eta vs tors. theta energy: -164.196 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: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1399.259155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.259155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.259155 (E_RNA) where: Base-Base interactions energy: -912.326 where: short stacking energy: -429.307 Base-Backbone interact. energy: -1.001 local terms energy: -485.932480 where: bonds (distance) C4'-P energy: -107.014 bonds (distance) P-C4' energy: -102.981 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -71.029 tors. eta vs tors. theta energy: -83.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1242.402431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.402431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.402431 (E_RNA) where: Base-Base interactions energy: -767.199 where: short stacking energy: -348.026 Base-Backbone interact. energy: 2.697 local terms energy: -477.900193 where: bonds (distance) C4'-P energy: -116.019 bonds (distance) P-C4' energy: -100.917 flat angles C4'-P-C4' energy: -124.977 flat angles P-C4'-P energy: -73.368 tors. eta vs tors. theta energy: -62.620 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: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -863.499526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.499526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.499526 (E_RNA) where: Base-Base interactions energy: -505.567 where: short stacking energy: -257.522 Base-Backbone interact. energy: 2.413 local terms energy: -360.344764 where: bonds (distance) C4'-P energy: -113.158 bonds (distance) P-C4' energy: -98.879 flat angles C4'-P-C4' energy: -95.821 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -2.328 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: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -543.318213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.318213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.318213 (E_RNA) where: Base-Base interactions energy: -186.448 where: short stacking energy: -156.152 Base-Backbone interact. energy: -0.525 local terms energy: -356.345247 where: bonds (distance) C4'-P energy: -105.666 bonds (distance) P-C4' energy: -112.829 flat angles C4'-P-C4' energy: -107.021 flat angles P-C4'-P energy: -74.600 tors. eta vs tors. theta energy: 43.771 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: 459 Temperature: 0.900000 Total energy: -2384.646261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.646261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.646261 (E_RNA) where: Base-Base interactions energy: -1657.148 where: short stacking energy: -672.257 Base-Backbone interact. energy: -3.015 local terms energy: -724.482677 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -136.907 flat angles C4'-P-C4' energy: -149.452 flat angles P-C4'-P energy: -94.905 tors. eta vs tors. theta energy: -200.248 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: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2277.758091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.758091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.758091 (E_RNA) where: Base-Base interactions energy: -1564.525 where: short stacking energy: -668.555 Base-Backbone interact. energy: -3.521 local terms energy: -709.712762 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -125.379 flat angles C4'-P-C4' energy: -140.464 flat angles P-C4'-P energy: -95.343 tors. eta vs tors. theta energy: -209.403 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: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2265.001600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.001600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.001600 (E_RNA) where: Base-Base interactions energy: -1581.347 where: short stacking energy: -637.979 Base-Backbone interact. energy: -3.175 local terms energy: -680.479724 where: bonds (distance) C4'-P energy: -124.570 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -146.024 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -186.410 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: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2177.609493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.609493 (E_RNA) where: Base-Base interactions energy: -1477.515 where: short stacking energy: -654.550 Base-Backbone interact. energy: -0.736 local terms energy: -699.358502 where: bonds (distance) C4'-P energy: -125.517 bonds (distance) P-C4' energy: -137.505 flat angles C4'-P-C4' energy: -151.570 flat angles P-C4'-P energy: -98.143 tors. eta vs tors. theta energy: -186.622 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: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2100.385227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.385227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.385227 (E_RNA) where: Base-Base interactions energy: -1456.557 where: short stacking energy: -630.476 Base-Backbone interact. energy: 3.727 local terms energy: -647.555336 where: bonds (distance) C4'-P energy: -118.324 bonds (distance) P-C4' energy: -112.230 flat angles C4'-P-C4' energy: -150.535 flat angles P-C4'-P energy: -81.848 tors. eta vs tors. theta energy: -184.618 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: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1929.969838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.969838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.969838 (E_RNA) where: Base-Base interactions energy: -1311.855 where: short stacking energy: -521.286 Base-Backbone interact. energy: -0.128 local terms energy: -617.987351 where: bonds (distance) C4'-P energy: -101.617 bonds (distance) P-C4' energy: -111.316 flat angles C4'-P-C4' energy: -138.994 flat angles P-C4'-P energy: -106.959 tors. eta vs tors. theta energy: -159.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1445.126070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.126070 (E_RNA) where: Base-Base interactions energy: -913.863 where: short stacking energy: -415.421 Base-Backbone interact. energy: -1.121 local terms energy: -530.142542 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -127.353 flat angles C4'-P-C4' energy: -123.329 flat angles P-C4'-P energy: -79.830 tors. eta vs tors. theta energy: -95.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1222.268660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.268660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.268660 (E_RNA) where: Base-Base interactions energy: -760.821 where: short stacking energy: -328.616 Base-Backbone interact. energy: -0.039 local terms energy: -461.407984 where: bonds (distance) C4'-P energy: -103.650 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -117.209 flat angles P-C4'-P energy: -65.211 tors. eta vs tors. theta energy: -60.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -840.061489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.061489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.061489 (E_RNA) where: Base-Base interactions energy: -466.823 where: short stacking energy: -222.990 Base-Backbone interact. energy: -4.547 local terms energy: -368.691982 where: bonds (distance) C4'-P energy: -105.703 bonds (distance) P-C4' energy: -104.891 flat angles C4'-P-C4' energy: -73.012 flat angles P-C4'-P energy: -74.397 tors. eta vs tors. theta energy: -10.689 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: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -520.101600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.101600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.101600 (E_RNA) where: Base-Base interactions energy: -187.177 where: short stacking energy: -137.646 Base-Backbone interact. energy: -2.305 local terms energy: -330.619814 where: bonds (distance) C4'-P energy: -99.265 bonds (distance) P-C4' energy: -107.995 flat angles C4'-P-C4' energy: -101.713 flat angles P-C4'-P energy: -38.334 tors. eta vs tors. theta energy: 16.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2378.270168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.270168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.270168 (E_RNA) where: Base-Base interactions energy: -1649.768 where: short stacking energy: -698.964 Base-Backbone interact. energy: -1.452 local terms energy: -727.050293 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -129.952 flat angles C4'-P-C4' energy: -151.079 flat angles P-C4'-P energy: -105.428 tors. eta vs tors. theta energy: -203.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2294.581683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.581683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.581683 (E_RNA) where: Base-Base interactions energy: -1586.168 where: short stacking energy: -695.412 Base-Backbone interact. energy: -1.961 local terms energy: -706.452588 where: bonds (distance) C4'-P energy: -113.426 bonds (distance) P-C4' energy: -126.671 flat angles C4'-P-C4' energy: -144.342 flat angles P-C4'-P energy: -103.804 tors. eta vs tors. theta energy: -218.209 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: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2234.853581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.853581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.853581 (E_RNA) where: Base-Base interactions energy: -1540.703 where: short stacking energy: -648.445 Base-Backbone interact. energy: -5.064 local terms energy: -689.086181 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -135.481 flat angles C4'-P-C4' energy: -153.984 flat angles P-C4'-P energy: -99.075 tors. eta vs tors. theta energy: -178.696 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: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2167.871923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.871923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.871923 (E_RNA) where: Base-Base interactions energy: -1485.884 where: short stacking energy: -654.366 Base-Backbone interact. energy: -0.438 local terms energy: -681.549602 where: bonds (distance) C4'-P energy: -124.252 bonds (distance) P-C4' energy: -116.742 flat angles C4'-P-C4' energy: -151.232 flat angles P-C4'-P energy: -86.301 tors. eta vs tors. theta energy: -203.022 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: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2049.584568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.584568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.584568 (E_RNA) where: Base-Base interactions energy: -1411.857 where: short stacking energy: -589.208 Base-Backbone interact. energy: -2.963 local terms energy: -634.764634 where: bonds (distance) C4'-P energy: -130.694 bonds (distance) P-C4' energy: -116.821 flat angles C4'-P-C4' energy: -136.564 flat angles P-C4'-P energy: -78.141 tors. eta vs tors. theta energy: -172.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1970.915836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.915836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.915836 (E_RNA) where: Base-Base interactions energy: -1335.190 where: short stacking energy: -559.968 Base-Backbone interact. energy: -2.266 local terms energy: -633.459683 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -129.574 flat angles C4'-P-C4' energy: -130.484 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -172.348 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: 7, replica: 9 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1472.544954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.544954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.544954 (E_RNA) where: Base-Base interactions energy: -936.927 where: short stacking energy: -421.784 Base-Backbone interact. energy: 4.129 local terms energy: -539.747141 where: bonds (distance) C4'-P energy: -126.666 bonds (distance) P-C4' energy: -114.533 flat angles C4'-P-C4' energy: -132.789 flat angles P-C4'-P energy: -84.489 tors. eta vs tors. theta energy: -81.270 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: 3 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1244.968206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.968206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.968206 (E_RNA) where: Base-Base interactions energy: -782.058 where: short stacking energy: -376.236 Base-Backbone interact. energy: -1.478 local terms energy: -461.432480 where: bonds (distance) C4'-P energy: -103.964 bonds (distance) P-C4' energy: -107.175 flat angles C4'-P-C4' energy: -109.698 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -80.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -812.317662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.317662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.317662 (E_RNA) where: Base-Base interactions energy: -416.975 where: short stacking energy: -226.499 Base-Backbone interact. energy: 1.303 local terms energy: -396.644937 where: bonds (distance) C4'-P energy: -105.927 bonds (distance) P-C4' energy: -108.256 flat angles C4'-P-C4' energy: -91.448 flat angles P-C4'-P energy: -55.723 tors. eta vs tors. theta energy: -35.291 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: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -535.810209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.810209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.810209 (E_RNA) where: Base-Base interactions energy: -176.857 where: short stacking energy: -157.867 Base-Backbone interact. energy: 1.114 local terms energy: -360.066890 where: bonds (distance) C4'-P energy: -94.344 bonds (distance) P-C4' energy: -125.331 flat angles C4'-P-C4' energy: -101.517 flat angles P-C4'-P energy: -57.610 tors. eta vs tors. theta energy: 18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2367.127006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.127006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.127006 (E_RNA) where: Base-Base interactions energy: -1647.243 where: short stacking energy: -668.859 Base-Backbone interact. energy: -2.128 local terms energy: -717.756001 where: bonds (distance) C4'-P energy: -133.847 bonds (distance) P-C4' energy: -133.993 flat angles C4'-P-C4' energy: -153.736 flat angles P-C4'-P energy: -106.280 tors. eta vs tors. theta energy: -189.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2301.929436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.929436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.929436 (E_RNA) where: Base-Base interactions energy: -1590.335 where: short stacking energy: -688.089 Base-Backbone interact. energy: -2.355 local terms energy: -709.239123 where: bonds (distance) C4'-P energy: -131.922 bonds (distance) P-C4' energy: -120.955 flat angles C4'-P-C4' energy: -143.126 flat angles P-C4'-P energy: -108.314 tors. eta vs tors. theta energy: -204.922 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: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2275.952450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.952450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.952450 (E_RNA) where: Base-Base interactions energy: -1604.363 where: short stacking energy: -628.589 Base-Backbone interact. energy: -3.282 local terms energy: -668.307612 where: bonds (distance) C4'-P energy: -122.044 bonds (distance) P-C4' energy: -124.284 flat angles C4'-P-C4' energy: -138.356 flat angles P-C4'-P energy: -100.233 tors. eta vs tors. theta energy: -183.390 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: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2148.054749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.054749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.054749 (E_RNA) where: Base-Base interactions energy: -1489.919 where: short stacking energy: -674.119 Base-Backbone interact. energy: 1.217 local terms energy: -659.352997 where: bonds (distance) C4'-P energy: -105.596 bonds (distance) P-C4' energy: -119.922 flat angles C4'-P-C4' energy: -146.733 flat angles P-C4'-P energy: -86.474 tors. eta vs tors. theta energy: -200.628 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: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2048.547577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.547577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.547577 (E_RNA) where: Base-Base interactions energy: -1435.562 where: short stacking energy: -609.418 Base-Backbone interact. energy: -1.156 local terms energy: -611.829250 where: bonds (distance) C4'-P energy: -96.682 bonds (distance) P-C4' energy: -120.938 flat angles C4'-P-C4' energy: -133.135 flat angles P-C4'-P energy: -81.557 tors. eta vs tors. theta energy: -179.517 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: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1876.256976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.256976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.256976 (E_RNA) where: Base-Base interactions energy: -1309.138 where: short stacking energy: -545.524 Base-Backbone interact. energy: 2.318 local terms energy: -569.437059 where: bonds (distance) C4'-P energy: -128.195 bonds (distance) P-C4' energy: -106.357 flat angles C4'-P-C4' energy: -118.861 flat angles P-C4'-P energy: -72.898 tors. eta vs tors. theta energy: -143.126 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: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1450.164776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.164776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.164776 (E_RNA) where: Base-Base interactions energy: -932.237 where: short stacking energy: -424.975 Base-Backbone interact. energy: -1.522 local terms energy: -516.406203 where: bonds (distance) C4'-P energy: -106.435 bonds (distance) P-C4' energy: -117.019 flat angles C4'-P-C4' energy: -120.964 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -101.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1253.452679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.452679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.452679 (E_RNA) where: Base-Base interactions energy: -753.061 where: short stacking energy: -354.698 Base-Backbone interact. energy: -1.632 local terms energy: -498.760200 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -120.554 flat angles C4'-P-C4' energy: -117.365 flat angles P-C4'-P energy: -68.189 tors. eta vs tors. theta energy: -79.647 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: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -818.195721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.195721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.195721 (E_RNA) where: Base-Base interactions energy: -414.012 where: short stacking energy: -238.036 Base-Backbone interact. energy: 2.876 local terms energy: -407.059807 where: bonds (distance) C4'-P energy: -118.125 bonds (distance) P-C4' energy: -117.464 flat angles C4'-P-C4' energy: -85.700 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: -28.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -513.001005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.001005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.001005 (E_RNA) where: Base-Base interactions energy: -174.786 where: short stacking energy: -133.123 Base-Backbone interact. energy: 3.915 local terms energy: -342.130529 where: bonds (distance) C4'-P energy: -92.721 bonds (distance) P-C4' energy: -116.839 flat angles C4'-P-C4' energy: -68.175 flat angles P-C4'-P energy: -79.042 tors. eta vs tors. theta energy: 14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2399.739765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.739765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.739765 (E_RNA) where: Base-Base interactions energy: -1650.041 where: short stacking energy: -690.083 Base-Backbone interact. energy: -1.672 local terms energy: -748.027183 where: bonds (distance) C4'-P energy: -134.064 bonds (distance) P-C4' energy: -132.400 flat angles C4'-P-C4' energy: -164.592 flat angles P-C4'-P energy: -108.375 tors. eta vs tors. theta energy: -208.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2309.811059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.811059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.811059 (E_RNA) where: Base-Base interactions energy: -1569.148 where: short stacking energy: -705.613 Base-Backbone interact. energy: -3.218 local terms energy: -737.445159 where: bonds (distance) C4'-P energy: -137.393 bonds (distance) P-C4' energy: -126.562 flat angles C4'-P-C4' energy: -156.344 flat angles P-C4'-P energy: -102.569 tors. eta vs tors. theta energy: -214.578 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: 3, replica: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2275.970405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.970405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.970405 (E_RNA) where: Base-Base interactions energy: -1572.966 where: short stacking energy: -642.906 Base-Backbone interact. energy: -2.051 local terms energy: -700.952805 where: bonds (distance) C4'-P energy: -135.481 bonds (distance) P-C4' energy: -131.525 flat angles C4'-P-C4' energy: -151.256 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -187.636 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2170.537429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.537429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.537429 (E_RNA) where: Base-Base interactions energy: -1487.599 where: short stacking energy: -656.295 Base-Backbone interact. energy: -1.380 local terms energy: -681.557967 where: bonds (distance) C4'-P energy: -105.265 bonds (distance) P-C4' energy: -128.061 flat angles C4'-P-C4' energy: -150.632 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -206.073 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: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2081.451166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.451166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.451166 (E_RNA) where: Base-Base interactions energy: -1424.629 where: short stacking energy: -606.874 Base-Backbone interact. energy: -3.877 local terms energy: -652.945692 where: bonds (distance) C4'-P energy: -114.557 bonds (distance) P-C4' energy: -116.794 flat angles C4'-P-C4' energy: -149.804 flat angles P-C4'-P energy: -91.449 tors. eta vs tors. theta energy: -180.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1834.752023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.752023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.752023 (E_RNA) where: Base-Base interactions energy: -1261.761 where: short stacking energy: -523.845 Base-Backbone interact. energy: 1.139 local terms energy: -574.130366 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -113.604 flat angles C4'-P-C4' energy: -123.142 flat angles P-C4'-P energy: -96.245 tors. eta vs tors. theta energy: -128.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1457.625315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.625315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.625315 (E_RNA) where: Base-Base interactions energy: -952.323 where: short stacking energy: -408.299 Base-Backbone interact. energy: -2.541 local terms energy: -502.761743 where: bonds (distance) C4'-P energy: -104.977 bonds (distance) P-C4' energy: -113.329 flat angles C4'-P-C4' energy: -134.750 flat angles P-C4'-P energy: -71.306 tors. eta vs tors. theta energy: -78.401 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: 462 Temperature: 1.250000 Total energy: -1204.657111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.657111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.657111 (E_RNA) where: Base-Base interactions energy: -752.848 where: short stacking energy: -330.745 Base-Backbone interact. energy: 0.871 local terms energy: -452.680158 where: bonds (distance) C4'-P energy: -110.180 bonds (distance) P-C4' energy: -97.815 flat angles C4'-P-C4' energy: -100.787 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -65.463 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: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -773.007208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.007208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.007208 (E_RNA) where: Base-Base interactions energy: -378.248 where: short stacking energy: -210.723 Base-Backbone interact. energy: -0.719 local terms energy: -394.040450 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -120.494 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -72.834 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -507.639216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.639216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.639216 (E_RNA) where: Base-Base interactions energy: -190.232 where: short stacking energy: -159.626 Base-Backbone interact. energy: 0.733 local terms energy: -318.140843 where: bonds (distance) C4'-P energy: -99.280 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -80.284 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: 24.820 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: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2398.596195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.596195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.596195 (E_RNA) where: Base-Base interactions energy: -1666.143 where: short stacking energy: -698.762 Base-Backbone interact. energy: -1.915 local terms energy: -730.537974 where: bonds (distance) C4'-P energy: -127.576 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -155.643 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -203.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2334.004065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.004065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.004065 (E_RNA) where: Base-Base interactions energy: -1603.856 where: short stacking energy: -672.094 Base-Backbone interact. energy: -2.657 local terms energy: -727.491073 where: bonds (distance) C4'-P energy: -130.171 bonds (distance) P-C4' energy: -127.971 flat angles C4'-P-C4' energy: -164.523 flat angles P-C4'-P energy: -97.119 tors. eta vs tors. theta energy: -207.707 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: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2257.505150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.505150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.505150 (E_RNA) where: Base-Base interactions energy: -1570.656 where: short stacking energy: -630.796 Base-Backbone interact. energy: -6.235 local terms energy: -680.613633 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -124.599 flat angles C4'-P-C4' energy: -156.795 flat angles P-C4'-P energy: -91.998 tors. eta vs tors. theta energy: -197.317 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: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2178.450378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.450378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.450378 (E_RNA) where: Base-Base interactions energy: -1500.051 where: short stacking energy: -676.120 Base-Backbone interact. energy: -4.860 local terms energy: -673.539162 where: bonds (distance) C4'-P energy: -125.016 bonds (distance) P-C4' energy: -120.323 flat angles C4'-P-C4' energy: -137.292 flat angles P-C4'-P energy: -89.154 tors. eta vs tors. theta energy: -201.755 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: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2083.559941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.559941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.559941 (E_RNA) where: Base-Base interactions energy: -1428.433 where: short stacking energy: -594.173 Base-Backbone interact. energy: -5.271 local terms energy: -649.855558 where: bonds (distance) C4'-P energy: -114.760 bonds (distance) P-C4' energy: -125.410 flat angles C4'-P-C4' energy: -130.641 flat angles P-C4'-P energy: -98.880 tors. eta vs tors. theta energy: -180.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1897.133546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.133546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.133546 (E_RNA) where: Base-Base interactions energy: -1283.899 where: short stacking energy: -562.748 Base-Backbone interact. energy: -0.100 local terms energy: -613.134984 where: bonds (distance) C4'-P energy: -113.860 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -139.038 flat angles P-C4'-P energy: -83.872 tors. eta vs tors. theta energy: -165.362 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: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1422.857124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.857124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.857124 (E_RNA) where: Base-Base interactions energy: -904.833 where: short stacking energy: -423.812 Base-Backbone interact. energy: 0.367 local terms energy: -518.391342 where: bonds (distance) C4'-P energy: -110.961 bonds (distance) P-C4' energy: -121.286 flat angles C4'-P-C4' energy: -134.353 flat angles P-C4'-P energy: -48.478 tors. eta vs tors. theta energy: -103.313 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: 8, replica: 3 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1231.040655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.040655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.040655 (E_RNA) where: Base-Base interactions energy: -763.839 where: short stacking energy: -368.900 Base-Backbone interact. energy: 2.522 local terms energy: -469.723582 where: bonds (distance) C4'-P energy: -98.616 bonds (distance) P-C4' energy: -104.224 flat angles C4'-P-C4' energy: -125.996 flat angles P-C4'-P energy: -73.598 tors. eta vs tors. theta energy: -67.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -782.091482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.091482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.091482 (E_RNA) where: Base-Base interactions energy: -407.319 where: short stacking energy: -235.991 Base-Backbone interact. energy: -0.201 local terms energy: -374.571909 where: bonds (distance) C4'-P energy: -99.447 bonds (distance) P-C4' energy: -110.825 flat angles C4'-P-C4' energy: -84.520 flat angles P-C4'-P energy: -71.667 tors. eta vs tors. theta energy: -8.113 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: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -523.054995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.054995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.054995 (E_RNA) where: Base-Base interactions energy: -183.045 where: short stacking energy: -153.275 Base-Backbone interact. energy: 1.609 local terms energy: -341.619789 where: bonds (distance) C4'-P energy: -84.743 bonds (distance) P-C4' energy: -114.318 flat angles C4'-P-C4' energy: -105.181 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: 9.291 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: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2388.796358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.796358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.796358 (E_RNA) where: Base-Base interactions energy: -1680.934 where: short stacking energy: -700.944 Base-Backbone interact. energy: -5.146 local terms energy: -702.716420 where: bonds (distance) C4'-P energy: -133.325 bonds (distance) P-C4' energy: -130.511 flat angles C4'-P-C4' energy: -149.251 flat angles P-C4'-P energy: -95.928 tors. eta vs tors. theta energy: -193.701 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: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2311.326260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.326260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.326260 (E_RNA) where: Base-Base interactions energy: -1599.116 where: short stacking energy: -673.213 Base-Backbone interact. energy: -7.121 local terms energy: -705.089194 where: bonds (distance) C4'-P energy: -113.371 bonds (distance) P-C4' energy: -120.322 flat angles C4'-P-C4' energy: -154.050 flat angles P-C4'-P energy: -123.188 tors. eta vs tors. theta energy: -194.159 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: 3, replica: 7 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2257.766125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.766125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.766125 (E_RNA) where: Base-Base interactions energy: -1574.836 where: short stacking energy: -640.313 Base-Backbone interact. energy: -3.290 local terms energy: -679.640502 where: bonds (distance) C4'-P energy: -125.826 bonds (distance) P-C4' energy: -137.695 flat angles C4'-P-C4' energy: -144.799 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -185.384 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: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2118.750373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.750373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.750373 (E_RNA) where: Base-Base interactions energy: -1438.927 where: short stacking energy: -626.164 Base-Backbone interact. energy: 0.316 local terms energy: -680.139696 where: bonds (distance) C4'-P energy: -126.634 bonds (distance) P-C4' energy: -123.518 flat angles C4'-P-C4' energy: -140.558 flat angles P-C4'-P energy: -96.473 tors. eta vs tors. theta energy: -192.956 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: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2062.187248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.187248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.187248 (E_RNA) where: Base-Base interactions energy: -1423.893 where: short stacking energy: -609.572 Base-Backbone interact. energy: -1.732 local terms energy: -636.561814 where: bonds (distance) C4'-P energy: -116.987 bonds (distance) P-C4' energy: -109.763 flat angles C4'-P-C4' energy: -143.585 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -182.047 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: 6, replica: 10 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1854.461211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.461211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.461211 (E_RNA) where: Base-Base interactions energy: -1255.884 where: short stacking energy: -527.078 Base-Backbone interact. energy: -3.181 local terms energy: -595.396545 where: bonds (distance) C4'-P energy: -123.078 bonds (distance) P-C4' energy: -122.570 flat angles C4'-P-C4' energy: -122.553 flat angles P-C4'-P energy: -82.412 tors. eta vs tors. theta energy: -144.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1280.713263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.713263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.713263 (E_RNA) where: Base-Base interactions energy: -791.998 where: short stacking energy: -354.231 Base-Backbone interact. energy: -1.827 local terms energy: -486.888587 where: bonds (distance) C4'-P energy: -114.267 bonds (distance) P-C4' energy: -123.715 flat angles C4'-P-C4' energy: -119.606 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -72.080 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: 8, replica: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1402.091296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.091296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.091296 (E_RNA) where: Base-Base interactions energy: -903.035 where: short stacking energy: -430.763 Base-Backbone interact. energy: -2.338 local terms energy: -496.717767 where: bonds (distance) C4'-P energy: -98.352 bonds (distance) P-C4' energy: -115.644 flat angles C4'-P-C4' energy: -132.136 flat angles P-C4'-P energy: -49.496 tors. eta vs tors. theta energy: -101.089 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: 9, replica: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -758.261500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.261500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.261500 (E_RNA) where: Base-Base interactions energy: -371.154 where: short stacking energy: -211.092 Base-Backbone interact. energy: 4.183 local terms energy: -391.290044 where: bonds (distance) C4'-P energy: -127.088 bonds (distance) P-C4' energy: -108.621 flat angles C4'-P-C4' energy: -97.905 flat angles P-C4'-P energy: -64.039 tors. eta vs tors. theta energy: 6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -502.116852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.116852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.116852 (E_RNA) where: Base-Base interactions energy: -123.993 where: short stacking energy: -108.863 Base-Backbone interact. energy: -3.094 local terms energy: -375.029142 where: bonds (distance) C4'-P energy: -136.471 bonds (distance) P-C4' energy: -113.023 flat angles C4'-P-C4' energy: -89.215 flat angles P-C4'-P energy: -65.425 tors. eta vs tors. theta energy: 29.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -2383.209992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.209992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.209992 (E_RNA) where: Base-Base interactions energy: -1644.339 where: short stacking energy: -683.978 Base-Backbone interact. energy: -3.456 local terms energy: -735.414758 where: bonds (distance) C4'-P energy: -138.679 bonds (distance) P-C4' energy: -138.016 flat angles C4'-P-C4' energy: -152.021 flat angles P-C4'-P energy: -95.845 tors. eta vs tors. theta energy: -210.854 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: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2340.118615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.118615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.118615 (E_RNA) where: Base-Base interactions energy: -1639.231 where: short stacking energy: -662.099 Base-Backbone interact. energy: -1.479 local terms energy: -699.409426 where: bonds (distance) C4'-P energy: -123.303 bonds (distance) P-C4' energy: -133.233 flat angles C4'-P-C4' energy: -136.079 flat angles P-C4'-P energy: -111.549 tors. eta vs tors. theta energy: -195.245 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: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2260.897332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.897332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.897332 (E_RNA) where: Base-Base interactions energy: -1564.519 where: short stacking energy: -682.192 Base-Backbone interact. energy: -3.905 local terms energy: -692.473372 where: bonds (distance) C4'-P energy: -135.457 bonds (distance) P-C4' energy: -116.935 flat angles C4'-P-C4' energy: -133.227 flat angles P-C4'-P energy: -99.753 tors. eta vs tors. theta energy: -207.101 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: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2180.196469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.196469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.196469 (E_RNA) where: Base-Base interactions energy: -1467.194 where: short stacking energy: -644.644 Base-Backbone interact. energy: -2.192 local terms energy: -710.811111 where: bonds (distance) C4'-P energy: -136.215 bonds (distance) P-C4' energy: -128.515 flat angles C4'-P-C4' energy: -155.330 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -195.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2049.361184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.361184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.361184 (E_RNA) where: Base-Base interactions energy: -1412.775 where: short stacking energy: -598.486 Base-Backbone interact. energy: -1.009 local terms energy: -635.577150 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -124.919 flat angles P-C4'-P energy: -79.990 tors. eta vs tors. theta energy: -184.386 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: 6, replica: 10 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1851.392689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.392689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.392689 (E_RNA) where: Base-Base interactions energy: -1248.423 where: short stacking energy: -530.202 Base-Backbone interact. energy: -2.361 local terms energy: -600.608811 where: bonds (distance) C4'-P energy: -110.319 bonds (distance) P-C4' energy: -119.347 flat angles C4'-P-C4' energy: -149.225 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: -142.064 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: 7, replica: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1342.256945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.256945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.256945 (E_RNA) where: Base-Base interactions energy: -847.979 where: short stacking energy: -388.975 Base-Backbone interact. energy: -4.054 local terms energy: -490.224352 where: bonds (distance) C4'-P energy: -107.408 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -116.654 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -80.431 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: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1345.444823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.444823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.444823 (E_RNA) where: Base-Base interactions energy: -869.210 where: short stacking energy: -405.044 Base-Backbone interact. energy: -4.271 local terms energy: -471.963575 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -113.888 flat angles C4'-P-C4' energy: -111.294 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -95.711 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: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -731.826601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.826601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.826601 (E_RNA) where: Base-Base interactions energy: -330.046 where: short stacking energy: -198.928 Base-Backbone interact. energy: -3.753 local terms energy: -398.027216 where: bonds (distance) C4'-P energy: -107.050 bonds (distance) P-C4' energy: -112.494 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -9.347 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: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -522.717987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.717987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.717987 (E_RNA) where: Base-Base interactions energy: -133.455 where: short stacking energy: -127.088 Base-Backbone interact. energy: 6.972 local terms energy: -396.235100 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -122.314 flat angles C4'-P-C4' energy: -90.742 flat angles P-C4'-P energy: -66.837 tors. eta vs tors. theta energy: 4.067 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: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2395.688008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.688008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.688008 (E_RNA) where: Base-Base interactions energy: -1675.274 where: short stacking energy: -707.271 Base-Backbone interact. energy: -2.197 local terms energy: -718.217670 where: bonds (distance) C4'-P energy: -123.451 bonds (distance) P-C4' energy: -131.328 flat angles C4'-P-C4' energy: -157.885 flat angles P-C4'-P energy: -100.934 tors. eta vs tors. theta energy: -204.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2330.021308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.021308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.021308 (E_RNA) where: Base-Base interactions energy: -1633.365 where: short stacking energy: -670.606 Base-Backbone interact. energy: -2.494 local terms energy: -694.161967 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -129.216 flat angles C4'-P-C4' energy: -144.308 flat angles P-C4'-P energy: -92.043 tors. eta vs tors. theta energy: -199.561 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: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2263.836176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.836176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.836176 (E_RNA) where: Base-Base interactions energy: -1563.934 where: short stacking energy: -656.912 Base-Backbone interact. energy: -2.089 local terms energy: -697.812838 where: bonds (distance) C4'-P energy: -132.254 bonds (distance) P-C4' energy: -122.975 flat angles C4'-P-C4' energy: -139.094 flat angles P-C4'-P energy: -106.049 tors. eta vs tors. theta energy: -197.441 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: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2189.330084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.330084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.330084 (E_RNA) where: Base-Base interactions energy: -1487.665 where: short stacking energy: -640.958 Base-Backbone interact. energy: -2.235 local terms energy: -699.430147 where: bonds (distance) C4'-P energy: -123.783 bonds (distance) P-C4' energy: -127.663 flat angles C4'-P-C4' energy: -144.224 flat angles P-C4'-P energy: -106.169 tors. eta vs tors. theta energy: -197.591 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: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2050.607597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.607597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.607597 (E_RNA) where: Base-Base interactions energy: -1411.847 where: short stacking energy: -604.088 Base-Backbone interact. energy: 0.934 local terms energy: -639.694870 where: bonds (distance) C4'-P energy: -137.783 bonds (distance) P-C4' energy: -110.840 flat angles C4'-P-C4' energy: -136.015 flat angles P-C4'-P energy: -81.588 tors. eta vs tors. theta energy: -173.469 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: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1901.920702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.920702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.920702 (E_RNA) where: Base-Base interactions energy: -1310.587 where: short stacking energy: -565.900 Base-Backbone interact. energy: 3.578 local terms energy: -594.911089 where: bonds (distance) C4'-P energy: -111.277 bonds (distance) P-C4' energy: -107.852 flat angles C4'-P-C4' energy: -147.035 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -152.803 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: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1459.446314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.446314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.446314 (E_RNA) where: Base-Base interactions energy: -946.129 where: short stacking energy: -419.665 Base-Backbone interact. energy: -5.048 local terms energy: -508.269232 where: bonds (distance) C4'-P energy: -111.943 bonds (distance) P-C4' energy: -105.021 flat angles C4'-P-C4' energy: -136.244 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -84.180 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: 466 Temperature: 1.250000 Total energy: -1245.487495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.487495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.487495 (E_RNA) where: Base-Base interactions energy: -775.649 where: short stacking energy: -346.273 Base-Backbone interact. energy: 2.764 local terms energy: -472.602963 where: bonds (distance) C4'-P energy: -118.474 bonds (distance) P-C4' energy: -100.841 flat angles C4'-P-C4' energy: -121.157 flat angles P-C4'-P energy: -69.457 tors. eta vs tors. theta energy: -62.674 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: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -730.612590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.612590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.612590 (E_RNA) where: Base-Base interactions energy: -338.762 where: short stacking energy: -204.051 Base-Backbone interact. energy: 3.792 local terms energy: -395.642890 where: bonds (distance) C4'-P energy: -92.398 bonds (distance) P-C4' energy: -128.166 flat angles C4'-P-C4' energy: -116.565 flat angles P-C4'-P energy: -58.571 tors. eta vs tors. theta energy: 0.058 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: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -550.604320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.604320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.604320 (E_RNA) where: Base-Base interactions energy: -216.265 where: short stacking energy: -174.659 Base-Backbone interact. energy: 4.812 local terms energy: -339.151130 where: bonds (distance) C4'-P energy: -110.833 bonds (distance) P-C4' energy: -114.326 flat angles C4'-P-C4' energy: -90.941 flat angles P-C4'-P energy: -46.463 tors. eta vs tors. theta energy: 23.412 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: 1, replica: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2400.358495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.358495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.358495 (E_RNA) where: Base-Base interactions energy: -1681.748 where: short stacking energy: -695.077 Base-Backbone interact. energy: 0.988 local terms energy: -719.598308 where: bonds (distance) C4'-P energy: -136.053 bonds (distance) P-C4' energy: -144.691 flat angles C4'-P-C4' energy: -145.133 flat angles P-C4'-P energy: -96.346 tors. eta vs tors. theta energy: -197.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2371.619167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.619167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.619167 (E_RNA) where: Base-Base interactions energy: -1683.344 where: short stacking energy: -696.227 Base-Backbone interact. energy: 0.241 local terms energy: -688.516602 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -128.819 flat angles C4'-P-C4' energy: -144.793 flat angles P-C4'-P energy: -94.772 tors. eta vs tors. theta energy: -204.957 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: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2234.851223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.851223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.851223 (E_RNA) where: Base-Base interactions energy: -1547.493 where: short stacking energy: -635.278 Base-Backbone interact. energy: -3.045 local terms energy: -684.313350 where: bonds (distance) C4'-P energy: -109.249 bonds (distance) P-C4' energy: -123.579 flat angles C4'-P-C4' energy: -137.823 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -209.265 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2204.683490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.683490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.683490 (E_RNA) where: Base-Base interactions energy: -1501.694 where: short stacking energy: -628.760 Base-Backbone interact. energy: -2.644 local terms energy: -700.345482 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -122.651 flat angles C4'-P-C4' energy: -151.230 flat angles P-C4'-P energy: -103.142 tors. eta vs tors. theta energy: -205.509 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: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2064.902694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.902694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.902694 (E_RNA) where: Base-Base interactions energy: -1412.090 where: short stacking energy: -588.448 Base-Backbone interact. energy: -5.179 local terms energy: -647.634403 where: bonds (distance) C4'-P energy: -130.494 bonds (distance) P-C4' energy: -110.853 flat angles C4'-P-C4' energy: -140.797 flat angles P-C4'-P energy: -85.955 tors. eta vs tors. theta energy: -179.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1802.008291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.008291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.008291 (E_RNA) where: Base-Base interactions energy: -1229.877 where: short stacking energy: -511.751 Base-Backbone interact. energy: -0.583 local terms energy: -571.547964 where: bonds (distance) C4'-P energy: -102.247 bonds (distance) P-C4' energy: -114.712 flat angles C4'-P-C4' energy: -129.219 flat angles P-C4'-P energy: -91.945 tors. eta vs tors. theta energy: -133.425 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: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1403.705472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.705472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.705472 (E_RNA) where: Base-Base interactions energy: -896.946 where: short stacking energy: -400.051 Base-Backbone interact. energy: -1.253 local terms energy: -505.506660 where: bonds (distance) C4'-P energy: -104.469 bonds (distance) P-C4' energy: -111.355 flat angles C4'-P-C4' energy: -129.552 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -88.562 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: 8, replica: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1315.222900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.222900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.222900 (E_RNA) where: Base-Base interactions energy: -839.041 where: short stacking energy: -384.417 Base-Backbone interact. energy: -1.682 local terms energy: -474.499923 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -110.903 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -59.947 tors. eta vs tors. theta energy: -84.913 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: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -726.849989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.849989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.849989 (E_RNA) where: Base-Base interactions energy: -326.313 where: short stacking energy: -196.210 Base-Backbone interact. energy: 3.061 local terms energy: -403.597487 where: bonds (distance) C4'-P energy: -122.743 bonds (distance) P-C4' energy: -105.620 flat angles C4'-P-C4' energy: -109.901 flat angles P-C4'-P energy: -58.067 tors. eta vs tors. theta energy: -7.268 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: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -546.925394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.925394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.925394 (E_RNA) where: Base-Base interactions energy: -199.963 where: short stacking energy: -153.593 Base-Backbone interact. energy: 2.625 local terms energy: -349.586784 where: bonds (distance) C4'-P energy: -96.376 bonds (distance) P-C4' energy: -117.303 flat angles C4'-P-C4' energy: -108.929 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: 24.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2412.940960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.940960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.940960 (E_RNA) where: Base-Base interactions energy: -1685.495 where: short stacking energy: -685.286 Base-Backbone interact. energy: -1.970 local terms energy: -725.476507 where: bonds (distance) C4'-P energy: -127.116 bonds (distance) P-C4' energy: -131.322 flat angles C4'-P-C4' energy: -146.318 flat angles P-C4'-P energy: -114.940 tors. eta vs tors. theta energy: -205.780 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: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2327.358394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.358394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.358394 (E_RNA) where: Base-Base interactions energy: -1619.303 where: short stacking energy: -685.629 Base-Backbone interact. energy: -1.149 local terms energy: -706.906145 where: bonds (distance) C4'-P energy: -121.720 bonds (distance) P-C4' energy: -130.050 flat angles C4'-P-C4' energy: -155.219 flat angles P-C4'-P energy: -102.194 tors. eta vs tors. theta energy: -197.722 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: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2227.518055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.518055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.518055 (E_RNA) where: Base-Base interactions energy: -1518.380 where: short stacking energy: -690.214 Base-Backbone interact. energy: -2.652 local terms energy: -706.486266 where: bonds (distance) C4'-P energy: -128.889 bonds (distance) P-C4' energy: -118.691 flat angles C4'-P-C4' energy: -143.581 flat angles P-C4'-P energy: -99.153 tors. eta vs tors. theta energy: -216.172 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: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2193.913218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.913218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.913218 (E_RNA) where: Base-Base interactions energy: -1522.892 where: short stacking energy: -608.768 Base-Backbone interact. energy: -4.280 local terms energy: -666.741657 where: bonds (distance) C4'-P energy: -117.032 bonds (distance) P-C4' energy: -123.130 flat angles C4'-P-C4' energy: -144.614 flat angles P-C4'-P energy: -101.710 tors. eta vs tors. theta energy: -180.256 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: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2019.191872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.191872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.191872 (E_RNA) where: Base-Base interactions energy: -1407.430 where: short stacking energy: -588.620 Base-Backbone interact. energy: -2.515 local terms energy: -609.247340 where: bonds (distance) C4'-P energy: -125.349 bonds (distance) P-C4' energy: -108.588 flat angles C4'-P-C4' energy: -124.813 flat angles P-C4'-P energy: -82.813 tors. eta vs tors. theta energy: -167.685 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: 6, replica: 10 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1813.728114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.728114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.728114 (E_RNA) where: Base-Base interactions energy: -1237.720 where: short stacking energy: -508.432 Base-Backbone interact. energy: 1.034 local terms energy: -577.042518 where: bonds (distance) C4'-P energy: -115.115 bonds (distance) P-C4' energy: -101.244 flat angles C4'-P-C4' energy: -137.875 flat angles P-C4'-P energy: -93.345 tors. eta vs tors. theta energy: -129.462 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: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1340.620477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.620477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.620477 (E_RNA) where: Base-Base interactions energy: -840.773 where: short stacking energy: -399.716 Base-Backbone interact. energy: -2.445 local terms energy: -497.403019 where: bonds (distance) C4'-P energy: -101.251 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -119.203 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -80.866 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: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1376.765266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.765266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.765266 (E_RNA) where: Base-Base interactions energy: -875.828 where: short stacking energy: -405.760 Base-Backbone interact. energy: -1.372 local terms energy: -499.565413 where: bonds (distance) C4'-P energy: -114.015 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -130.630 flat angles P-C4'-P energy: -69.084 tors. eta vs tors. theta energy: -92.106 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: 9, replica: 6 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -732.630768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.630768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.630768 (E_RNA) where: Base-Base interactions energy: -341.509 where: short stacking energy: -209.542 Base-Backbone interact. energy: 2.188 local terms energy: -393.309760 where: bonds (distance) C4'-P energy: -108.464 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -106.990 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -3.423 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: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -516.059514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.059514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.059514 (E_RNA) where: Base-Base interactions energy: -178.086 where: short stacking energy: -141.794 Base-Backbone interact. energy: -1.228 local terms energy: -336.745100 where: bonds (distance) C4'-P energy: -104.151 bonds (distance) P-C4' energy: -112.033 flat angles C4'-P-C4' energy: -81.823 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: 13.229 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: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2393.351406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.351406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.351406 (E_RNA) where: Base-Base interactions energy: -1687.209 where: short stacking energy: -672.923 Base-Backbone interact. energy: -2.679 local terms energy: -703.463199 where: bonds (distance) C4'-P energy: -119.335 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -148.484 flat angles P-C4'-P energy: -104.323 tors. eta vs tors. theta energy: -205.111 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: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2328.623360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.623360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.623360 (E_RNA) where: Base-Base interactions energy: -1620.878 where: short stacking energy: -697.250 Base-Backbone interact. energy: -2.427 local terms energy: -705.317789 where: bonds (distance) C4'-P energy: -124.512 bonds (distance) P-C4' energy: -129.875 flat angles C4'-P-C4' energy: -153.281 flat angles P-C4'-P energy: -92.093 tors. eta vs tors. theta energy: -205.556 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: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2265.628775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.628775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.628775 (E_RNA) where: Base-Base interactions energy: -1550.155 where: short stacking energy: -685.847 Base-Backbone interact. energy: -2.984 local terms energy: -712.489946 where: bonds (distance) C4'-P energy: -138.368 bonds (distance) P-C4' energy: -130.573 flat angles C4'-P-C4' energy: -144.331 flat angles P-C4'-P energy: -87.644 tors. eta vs tors. theta energy: -211.573 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: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2179.058686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.058686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.058686 (E_RNA) where: Base-Base interactions energy: -1515.200 where: short stacking energy: -663.537 Base-Backbone interact. energy: 1.553 local terms energy: -665.411627 where: bonds (distance) C4'-P energy: -115.305 bonds (distance) P-C4' energy: -112.341 flat angles C4'-P-C4' energy: -143.041 flat angles P-C4'-P energy: -97.770 tors. eta vs tors. theta energy: -196.955 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: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2006.965655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.965655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.965655 (E_RNA) where: Base-Base interactions energy: -1390.414 where: short stacking energy: -562.973 Base-Backbone interact. energy: -5.514 local terms energy: -611.036979 where: bonds (distance) C4'-P energy: -97.265 bonds (distance) P-C4' energy: -134.687 flat angles C4'-P-C4' energy: -127.091 flat angles P-C4'-P energy: -87.624 tors. eta vs tors. theta energy: -164.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1787.576195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.576195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.576195 (E_RNA) where: Base-Base interactions energy: -1203.179 where: short stacking energy: -528.504 Base-Backbone interact. energy: 1.040 local terms energy: -585.436425 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -139.630 flat angles P-C4'-P energy: -84.122 tors. eta vs tors. theta energy: -129.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1399.862183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.862183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.862183 (E_RNA) where: Base-Base interactions energy: -893.799 where: short stacking energy: -396.338 Base-Backbone interact. energy: 0.359 local terms energy: -506.422115 where: bonds (distance) C4'-P energy: -104.002 bonds (distance) P-C4' energy: -125.611 flat angles C4'-P-C4' energy: -121.024 flat angles P-C4'-P energy: -73.622 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: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1393.590279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.590279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.590279 (E_RNA) where: Base-Base interactions energy: -877.101 where: short stacking energy: -389.175 Base-Backbone interact. energy: -0.003 local terms energy: -516.486771 where: bonds (distance) C4'-P energy: -104.842 bonds (distance) P-C4' energy: -122.513 flat angles C4'-P-C4' energy: -130.755 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -92.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -773.225814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.225814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.225814 (E_RNA) where: Base-Base interactions energy: -390.129 where: short stacking energy: -219.511 Base-Backbone interact. energy: -1.459 local terms energy: -381.637434 where: bonds (distance) C4'-P energy: -102.490 bonds (distance) P-C4' energy: -121.644 flat angles C4'-P-C4' energy: -98.750 flat angles P-C4'-P energy: -48.009 tors. eta vs tors. theta energy: -10.745 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: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -519.353233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.353233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.353233 (E_RNA) where: Base-Base interactions energy: -179.790 where: short stacking energy: -166.865 Base-Backbone interact. energy: -0.122 local terms energy: -339.441191 where: bonds (distance) C4'-P energy: -106.242 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -99.228 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: 25.562 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: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2445.167443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.167443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.167443 (E_RNA) where: Base-Base interactions energy: -1719.255 where: short stacking energy: -697.700 Base-Backbone interact. energy: -4.054 local terms energy: -721.857852 where: bonds (distance) C4'-P energy: -127.998 bonds (distance) P-C4' energy: -143.387 flat angles C4'-P-C4' energy: -151.320 flat angles P-C4'-P energy: -98.557 tors. eta vs tors. theta energy: -200.595 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: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2360.166458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.166458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.166458 (E_RNA) where: Base-Base interactions energy: -1650.533 where: short stacking energy: -693.827 Base-Backbone interact. energy: -0.990 local terms energy: -708.644047 where: bonds (distance) C4'-P energy: -105.002 bonds (distance) P-C4' energy: -130.688 flat angles C4'-P-C4' energy: -152.530 flat angles P-C4'-P energy: -111.252 tors. eta vs tors. theta energy: -209.171 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: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2234.621061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.621061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.621061 (E_RNA) where: Base-Base interactions energy: -1525.405 where: short stacking energy: -690.144 Base-Backbone interact. energy: -1.322 local terms energy: -707.894057 where: bonds (distance) C4'-P energy: -126.812 bonds (distance) P-C4' energy: -126.679 flat angles C4'-P-C4' energy: -142.540 flat angles P-C4'-P energy: -83.607 tors. eta vs tors. theta energy: -228.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2135.920514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.920514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.920514 (E_RNA) where: Base-Base interactions energy: -1465.053 where: short stacking energy: -626.627 Base-Backbone interact. energy: -3.610 local terms energy: -667.257297 where: bonds (distance) C4'-P energy: -120.592 bonds (distance) P-C4' energy: -108.508 flat angles C4'-P-C4' energy: -142.859 flat angles P-C4'-P energy: -105.969 tors. eta vs tors. theta energy: -189.330 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: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2001.728063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.728063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.728063 (E_RNA) where: Base-Base interactions energy: -1383.287 where: short stacking energy: -614.383 Base-Backbone interact. energy: -2.564 local terms energy: -615.876888 where: bonds (distance) C4'-P energy: -117.764 bonds (distance) P-C4' energy: -108.212 flat angles C4'-P-C4' energy: -140.684 flat angles P-C4'-P energy: -79.548 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: 6, replica: 10 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1777.750898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.750898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.750898 (E_RNA) where: Base-Base interactions energy: -1214.907 where: short stacking energy: -505.506 Base-Backbone interact. energy: -1.984 local terms energy: -560.860472 where: bonds (distance) C4'-P energy: -122.048 bonds (distance) P-C4' energy: -100.449 flat angles C4'-P-C4' energy: -133.243 flat angles P-C4'-P energy: -75.696 tors. eta vs tors. theta energy: -129.426 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: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1441.596939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.596939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.596939 (E_RNA) where: Base-Base interactions energy: -920.724 where: short stacking energy: -432.021 Base-Backbone interact. energy: -4.639 local terms energy: -516.233824 where: bonds (distance) C4'-P energy: -112.498 bonds (distance) P-C4' energy: -111.620 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: -95.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1248.758629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.758629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.758629 (E_RNA) where: Base-Base interactions energy: -816.309 where: short stacking energy: -376.697 Base-Backbone interact. energy: -0.904 local terms energy: -431.545511 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -98.810 flat angles C4'-P-C4' energy: -103.787 flat angles P-C4'-P energy: -66.929 tors. eta vs tors. theta energy: -77.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -832.352101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.352101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.352101 (E_RNA) where: Base-Base interactions energy: -432.204 where: short stacking energy: -245.750 Base-Backbone interact. energy: -2.452 local terms energy: -397.696253 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -112.366 flat angles C4'-P-C4' energy: -108.947 flat angles P-C4'-P energy: -61.740 tors. eta vs tors. theta energy: -22.423 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: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -557.998963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.998963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.998963 (E_RNA) where: Base-Base interactions energy: -251.013 where: short stacking energy: -165.153 Base-Backbone interact. energy: 3.048 local terms energy: -310.033982 where: bonds (distance) C4'-P energy: -114.682 bonds (distance) P-C4' energy: -125.030 flat angles C4'-P-C4' energy: -70.269 flat angles P-C4'-P energy: -27.681 tors. eta vs tors. theta energy: 27.628 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: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2426.287806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.287806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.287806 (E_RNA) where: Base-Base interactions energy: -1688.568 where: short stacking energy: -686.849 Base-Backbone interact. energy: -1.294 local terms energy: -736.425528 where: bonds (distance) C4'-P energy: -128.381 bonds (distance) P-C4' energy: -138.036 flat angles C4'-P-C4' energy: -156.365 flat angles P-C4'-P energy: -111.480 tors. eta vs tors. theta energy: -202.163 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: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2326.962103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.962103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.962103 (E_RNA) where: Base-Base interactions energy: -1601.572 where: short stacking energy: -657.484 Base-Backbone interact. energy: -4.709 local terms energy: -720.681568 where: bonds (distance) C4'-P energy: -127.127 bonds (distance) P-C4' energy: -132.651 flat angles C4'-P-C4' energy: -144.359 flat angles P-C4'-P energy: -113.504 tors. eta vs tors. theta energy: -203.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2250.181224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.181224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.181224 (E_RNA) where: Base-Base interactions energy: -1559.541 where: short stacking energy: -680.072 Base-Backbone interact. energy: -1.304 local terms energy: -689.336323 where: bonds (distance) C4'-P energy: -110.445 bonds (distance) P-C4' energy: -120.862 flat angles C4'-P-C4' energy: -142.737 flat angles P-C4'-P energy: -98.878 tors. eta vs tors. theta energy: -216.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2163.586233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.586233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.586233 (E_RNA) where: Base-Base interactions energy: -1470.067 where: short stacking energy: -628.317 Base-Backbone interact. energy: -3.547 local terms energy: -689.972601 where: bonds (distance) C4'-P energy: -128.605 bonds (distance) P-C4' energy: -130.053 flat angles C4'-P-C4' energy: -143.058 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -190.380 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1962.284625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.284625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.284625 (E_RNA) where: Base-Base interactions energy: -1340.902 where: short stacking energy: -585.520 Base-Backbone interact. energy: 6.285 local terms energy: -627.667732 where: bonds (distance) C4'-P energy: -115.625 bonds (distance) P-C4' energy: -115.607 flat angles C4'-P-C4' energy: -137.652 flat angles P-C4'-P energy: -88.755 tors. eta vs tors. theta energy: -170.029 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: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1866.831190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.831190 (E_RNA) where: Base-Base interactions energy: -1266.794 where: short stacking energy: -519.624 Base-Backbone interact. energy: 2.803 local terms energy: -602.840200 where: bonds (distance) C4'-P energy: -110.061 bonds (distance) P-C4' energy: -132.673 flat angles C4'-P-C4' energy: -131.911 flat angles P-C4'-P energy: -80.493 tors. eta vs tors. theta energy: -147.703 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: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1505.415130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.415130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.415130 (E_RNA) where: Base-Base interactions energy: -962.554 where: short stacking energy: -453.432 Base-Backbone interact. energy: 3.749 local terms energy: -546.610341 where: bonds (distance) C4'-P energy: -111.476 bonds (distance) P-C4' energy: -121.632 flat angles C4'-P-C4' energy: -128.591 flat angles P-C4'-P energy: -78.440 tors. eta vs tors. theta energy: -106.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1285.874541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.874541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.874541 (E_RNA) where: Base-Base interactions energy: -816.036 where: short stacking energy: -375.335 Base-Backbone interact. energy: 5.205 local terms energy: -475.044190 where: bonds (distance) C4'-P energy: -97.684 bonds (distance) P-C4' energy: -122.531 flat angles C4'-P-C4' energy: -127.005 flat angles P-C4'-P energy: -55.635 tors. eta vs tors. theta energy: -72.189 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: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -846.294211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.294211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.294211 (E_RNA) where: Base-Base interactions energy: -428.005 where: short stacking energy: -247.471 Base-Backbone interact. energy: -0.320 local terms energy: -417.968957 where: bonds (distance) C4'-P energy: -116.499 bonds (distance) P-C4' energy: -128.562 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -37.938 tors. eta vs tors. theta energy: -20.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -528.072171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.072171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.072171 (E_RNA) where: Base-Base interactions energy: -223.586 where: short stacking energy: -167.776 Base-Backbone interact. energy: -1.833 local terms energy: -302.653107 where: bonds (distance) C4'-P energy: -93.922 bonds (distance) P-C4' energy: -115.633 flat angles C4'-P-C4' energy: -87.892 flat angles P-C4'-P energy: -43.060 tors. eta vs tors. theta energy: 37.855 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: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2389.968488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.968488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.968488 (E_RNA) where: Base-Base interactions energy: -1683.372 where: short stacking energy: -675.588 Base-Backbone interact. energy: -2.648 local terms energy: -703.948852 where: bonds (distance) C4'-P energy: -126.251 bonds (distance) P-C4' energy: -125.023 flat angles C4'-P-C4' energy: -153.746 flat angles P-C4'-P energy: -93.920 tors. eta vs tors. theta energy: -205.009 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: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2331.051153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.051153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.051153 (E_RNA) where: Base-Base interactions energy: -1617.303 where: short stacking energy: -688.077 Base-Backbone interact. energy: -2.613 local terms energy: -711.135544 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -133.920 flat angles C4'-P-C4' energy: -146.870 flat angles P-C4'-P energy: -97.869 tors. eta vs tors. theta energy: -198.663 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: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2304.271315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.271315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.271315 (E_RNA) where: Base-Base interactions energy: -1608.143 where: short stacking energy: -723.142 Base-Backbone interact. energy: -3.298 local terms energy: -692.829957 where: bonds (distance) C4'-P energy: -110.126 bonds (distance) P-C4' energy: -123.696 flat angles C4'-P-C4' energy: -150.681 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -220.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2101.863490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.863490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.863490 (E_RNA) where: Base-Base interactions energy: -1427.378 where: short stacking energy: -605.484 Base-Backbone interact. energy: -3.300 local terms energy: -671.185856 where: bonds (distance) C4'-P energy: -123.848 bonds (distance) P-C4' energy: -125.084 flat angles C4'-P-C4' energy: -151.086 flat angles P-C4'-P energy: -97.339 tors. eta vs tors. theta energy: -173.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1994.372727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.372727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.372727 (E_RNA) where: Base-Base interactions energy: -1373.514 where: short stacking energy: -595.233 Base-Backbone interact. energy: -3.474 local terms energy: -617.384609 where: bonds (distance) C4'-P energy: -108.879 bonds (distance) P-C4' energy: -123.311 flat angles C4'-P-C4' energy: -144.214 flat angles P-C4'-P energy: -77.742 tors. eta vs tors. theta energy: -163.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1952.865325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.865325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.865325 (E_RNA) where: Base-Base interactions energy: -1334.826 where: short stacking energy: -525.822 Base-Backbone interact. energy: -0.876 local terms energy: -617.163113 where: bonds (distance) C4'-P energy: -116.060 bonds (distance) P-C4' energy: -122.315 flat angles C4'-P-C4' energy: -121.181 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -159.316 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: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1456.318309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.318309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.318309 (E_RNA) where: Base-Base interactions energy: -940.139 where: short stacking energy: -437.078 Base-Backbone interact. energy: -0.749 local terms energy: -515.430225 where: bonds (distance) C4'-P energy: -110.828 bonds (distance) P-C4' energy: -118.497 flat angles C4'-P-C4' energy: -125.273 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -90.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1293.654010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.654010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.654010 (E_RNA) where: Base-Base interactions energy: -787.280 where: short stacking energy: -369.238 Base-Backbone interact. energy: 1.150 local terms energy: -507.524040 where: bonds (distance) C4'-P energy: -116.323 bonds (distance) P-C4' energy: -118.377 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -76.911 tors. eta vs tors. theta energy: -84.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -795.205929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.205929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.205929 (E_RNA) where: Base-Base interactions energy: -410.025 where: short stacking energy: -219.025 Base-Backbone interact. energy: 0.211 local terms energy: -385.392424 where: bonds (distance) C4'-P energy: -128.633 bonds (distance) P-C4' energy: -120.414 flat angles C4'-P-C4' energy: -90.944 flat angles P-C4'-P energy: -51.933 tors. eta vs tors. theta energy: 6.532 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: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -509.795772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.795772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.795772 (E_RNA) where: Base-Base interactions energy: -186.190 where: short stacking energy: -160.092 Base-Backbone interact. energy: 5.851 local terms energy: -329.456526 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -105.934 flat angles C4'-P-C4' energy: -83.022 flat angles P-C4'-P energy: -57.405 tors. eta vs tors. theta energy: 15.780 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: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2362.215340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.215340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.215340 (E_RNA) where: Base-Base interactions energy: -1639.083 where: short stacking energy: -673.688 Base-Backbone interact. energy: -0.017 local terms energy: -723.114617 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -153.372 flat angles C4'-P-C4' energy: -142.075 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -193.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2332.398872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.398872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.398872 (E_RNA) where: Base-Base interactions energy: -1612.060 where: short stacking energy: -689.549 Base-Backbone interact. energy: -4.814 local terms energy: -715.524782 where: bonds (distance) C4'-P energy: -115.925 bonds (distance) P-C4' energy: -146.601 flat angles C4'-P-C4' energy: -146.420 flat angles P-C4'-P energy: -99.844 tors. eta vs tors. theta energy: -206.734 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: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2283.606922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.606922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.606922 (E_RNA) where: Base-Base interactions energy: -1561.832 where: short stacking energy: -693.173 Base-Backbone interact. energy: -2.800 local terms energy: -718.974669 where: bonds (distance) C4'-P energy: -125.710 bonds (distance) P-C4' energy: -130.657 flat angles C4'-P-C4' energy: -146.736 flat angles P-C4'-P energy: -98.969 tors. eta vs tors. theta energy: -216.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2049.288656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.288656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.288656 (E_RNA) where: Base-Base interactions energy: -1418.628 where: short stacking energy: -591.734 Base-Backbone interact. energy: 1.030 local terms energy: -631.691511 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -125.743 flat angles C4'-P-C4' energy: -133.279 flat angles P-C4'-P energy: -92.034 tors. eta vs tors. theta energy: -170.863 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: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2032.163395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.163395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.163395 (E_RNA) where: Base-Base interactions energy: -1401.980 where: short stacking energy: -585.685 Base-Backbone interact. energy: -1.697 local terms energy: -628.485866 where: bonds (distance) C4'-P energy: -105.565 bonds (distance) P-C4' energy: -116.037 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: -183.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1902.303473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.303473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.303473 (E_RNA) where: Base-Base interactions energy: -1283.570 where: short stacking energy: -534.329 Base-Backbone interact. energy: -2.407 local terms energy: -616.326292 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -131.375 flat angles P-C4'-P energy: -95.689 tors. eta vs tors. theta energy: -160.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1487.545573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.545573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.545573 (E_RNA) where: Base-Base interactions energy: -963.861 where: short stacking energy: -442.269 Base-Backbone interact. energy: 0.095 local terms energy: -523.779019 where: bonds (distance) C4'-P energy: -100.442 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -121.854 flat angles P-C4'-P energy: -73.324 tors. eta vs tors. theta energy: -96.917 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: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1271.196192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.196192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.196192 (E_RNA) where: Base-Base interactions energy: -784.972 where: short stacking energy: -379.662 Base-Backbone interact. energy: 0.549 local terms energy: -486.772952 where: bonds (distance) C4'-P energy: -114.615 bonds (distance) P-C4' energy: -100.654 flat angles C4'-P-C4' energy: -110.314 flat angles P-C4'-P energy: -72.972 tors. eta vs tors. theta energy: -88.218 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: 9, replica: 6 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -866.576148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.576148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.576148 (E_RNA) where: Base-Base interactions energy: -481.939 where: short stacking energy: -245.753 Base-Backbone interact. energy: 4.128 local terms energy: -388.765450 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -119.643 flat angles C4'-P-C4' energy: -87.745 flat angles P-C4'-P energy: -53.369 tors. eta vs tors. theta energy: -14.176 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: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -509.967948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.967948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.967948 (E_RNA) where: Base-Base interactions energy: -186.176 where: short stacking energy: -163.219 Base-Backbone interact. energy: -2.411 local terms energy: -321.380794 where: bonds (distance) C4'-P energy: -106.090 bonds (distance) P-C4' energy: -103.819 flat angles C4'-P-C4' energy: -90.873 flat angles P-C4'-P energy: -38.806 tors. eta vs tors. theta energy: 18.208 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: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2409.970877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.970877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.970877 (E_RNA) where: Base-Base interactions energy: -1693.748 where: short stacking energy: -679.332 Base-Backbone interact. energy: 1.733 local terms energy: -717.955869 where: bonds (distance) C4'-P energy: -131.275 bonds (distance) P-C4' energy: -129.085 flat angles C4'-P-C4' energy: -148.859 flat angles P-C4'-P energy: -104.510 tors. eta vs tors. theta energy: -204.226 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: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2344.650015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.650015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.650015 (E_RNA) where: Base-Base interactions energy: -1632.148 where: short stacking energy: -705.942 Base-Backbone interact. energy: -1.922 local terms energy: -710.580903 where: bonds (distance) C4'-P energy: -114.937 bonds (distance) P-C4' energy: -137.622 flat angles C4'-P-C4' energy: -155.538 flat angles P-C4'-P energy: -96.161 tors. eta vs tors. theta energy: -206.323 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: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2298.337728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.337728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.337728 (E_RNA) where: Base-Base interactions energy: -1567.101 where: short stacking energy: -698.566 Base-Backbone interact. energy: -2.387 local terms energy: -728.849940 where: bonds (distance) C4'-P energy: -136.336 bonds (distance) P-C4' energy: -130.383 flat angles C4'-P-C4' energy: -151.062 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -213.761 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: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2061.101204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.101204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.101204 (E_RNA) where: Base-Base interactions energy: -1407.922 where: short stacking energy: -600.323 Base-Backbone interact. energy: -3.417 local terms energy: -649.762246 where: bonds (distance) C4'-P energy: -129.491 bonds (distance) P-C4' energy: -111.429 flat angles C4'-P-C4' energy: -134.542 flat angles P-C4'-P energy: -91.145 tors. eta vs tors. theta energy: -183.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2007.110093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.110093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.110093 (E_RNA) where: Base-Base interactions energy: -1370.990 where: short stacking energy: -574.334 Base-Backbone interact. energy: -1.801 local terms energy: -634.319621 where: bonds (distance) C4'-P energy: -118.331 bonds (distance) P-C4' energy: -117.836 flat angles C4'-P-C4' energy: -136.643 flat angles P-C4'-P energy: -92.153 tors. eta vs tors. theta energy: -169.356 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: 474 Temperature: 1.150000 Total energy: -1907.787526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.787526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.787526 (E_RNA) where: Base-Base interactions energy: -1326.685 where: short stacking energy: -540.390 Base-Backbone interact. energy: -3.902 local terms energy: -577.200521 where: bonds (distance) C4'-P energy: -104.105 bonds (distance) P-C4' energy: -124.347 flat angles C4'-P-C4' energy: -123.711 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -141.382 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: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1361.798759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.798759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.798759 (E_RNA) where: Base-Base interactions energy: -870.003 where: short stacking energy: -389.459 Base-Backbone interact. energy: -2.089 local terms energy: -489.706178 where: bonds (distance) C4'-P energy: -106.778 bonds (distance) P-C4' energy: -123.159 flat angles C4'-P-C4' energy: -99.426 flat angles P-C4'-P energy: -84.140 tors. eta vs tors. theta energy: -76.203 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: 8, replica: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1312.180442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.180442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.180442 (E_RNA) where: Base-Base interactions energy: -840.669 where: short stacking energy: -375.248 Base-Backbone interact. energy: -4.099 local terms energy: -467.412276 where: bonds (distance) C4'-P energy: -98.001 bonds (distance) P-C4' energy: -121.734 flat angles C4'-P-C4' energy: -112.302 flat angles P-C4'-P energy: -71.569 tors. eta vs tors. theta energy: -63.806 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: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -861.257324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.257324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.257324 (E_RNA) where: Base-Base interactions energy: -462.880 where: short stacking energy: -243.205 Base-Backbone interact. energy: -0.403 local terms energy: -397.974024 where: bonds (distance) C4'-P energy: -97.274 bonds (distance) P-C4' energy: -106.972 flat angles C4'-P-C4' energy: -88.240 flat angles P-C4'-P energy: -73.848 tors. eta vs tors. theta energy: -31.640 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: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -500.608795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.608795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.608795 (E_RNA) where: Base-Base interactions energy: -229.794 where: short stacking energy: -156.562 Base-Backbone interact. energy: 0.956 local terms energy: -271.770243 where: bonds (distance) C4'-P energy: -95.515 bonds (distance) P-C4' energy: -84.369 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -19.418 tors. eta vs tors. theta energy: 26.294 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: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2425.421243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.421243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.421243 (E_RNA) where: Base-Base interactions energy: -1695.414 where: short stacking energy: -680.505 Base-Backbone interact. energy: -1.918 local terms energy: -728.089260 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -131.728 flat angles C4'-P-C4' energy: -151.777 flat angles P-C4'-P energy: -108.032 tors. eta vs tors. theta energy: -202.346 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: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2350.276788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.276788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.276788 (E_RNA) where: Base-Base interactions energy: -1597.334 where: short stacking energy: -708.118 Base-Backbone interact. energy: -2.711 local terms energy: -750.232134 where: bonds (distance) C4'-P energy: -131.718 bonds (distance) P-C4' energy: -131.864 flat angles C4'-P-C4' energy: -148.988 flat angles P-C4'-P energy: -103.527 tors. eta vs tors. theta energy: -234.135 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: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2299.950581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.950581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.950581 (E_RNA) where: Base-Base interactions energy: -1614.979 where: short stacking energy: -658.961 Base-Backbone interact. energy: 2.869 local terms energy: -687.840407 where: bonds (distance) C4'-P energy: -111.973 bonds (distance) P-C4' energy: -131.528 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -98.860 tors. eta vs tors. theta energy: -197.873 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: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2144.643270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.643270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.643270 (E_RNA) where: Base-Base interactions energy: -1478.330 where: short stacking energy: -644.457 Base-Backbone interact. energy: -2.492 local terms energy: -663.820917 where: bonds (distance) C4'-P energy: -129.032 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -133.346 flat angles P-C4'-P energy: -90.925 tors. eta vs tors. theta energy: -198.209 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: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1955.639254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.639254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.639254 (E_RNA) where: Base-Base interactions energy: -1338.701 where: short stacking energy: -579.155 Base-Backbone interact. energy: -2.945 local terms energy: -613.992674 where: bonds (distance) C4'-P energy: -124.335 bonds (distance) P-C4' energy: -128.567 flat angles C4'-P-C4' energy: -124.253 flat angles P-C4'-P energy: -72.101 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: 6, replica: 10 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1905.351400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.351400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.351400 (E_RNA) where: Base-Base interactions energy: -1313.683 where: short stacking energy: -505.741 Base-Backbone interact. energy: -2.321 local terms energy: -589.348000 where: bonds (distance) C4'-P energy: -121.719 bonds (distance) P-C4' energy: -111.120 flat angles C4'-P-C4' energy: -137.993 flat angles P-C4'-P energy: -82.136 tors. eta vs tors. theta energy: -136.380 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1419.109063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.109063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.109063 (E_RNA) where: Base-Base interactions energy: -878.180 where: short stacking energy: -393.374 Base-Backbone interact. energy: -0.248 local terms energy: -540.681070 where: bonds (distance) C4'-P energy: -110.553 bonds (distance) P-C4' energy: -133.148 flat angles C4'-P-C4' energy: -115.057 flat angles P-C4'-P energy: -82.528 tors. eta vs tors. theta energy: -99.394 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: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1280.944623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.944623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.944623 (E_RNA) where: Base-Base interactions energy: -794.948 where: short stacking energy: -362.321 Base-Backbone interact. energy: -2.091 local terms energy: -483.905461 where: bonds (distance) C4'-P energy: -109.147 bonds (distance) P-C4' energy: -123.416 flat angles C4'-P-C4' energy: -108.714 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -80.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -855.612342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.612342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.612342 (E_RNA) where: Base-Base interactions energy: -437.120 where: short stacking energy: -233.105 Base-Backbone interact. energy: -2.562 local terms energy: -415.929903 where: bonds (distance) C4'-P energy: -120.330 bonds (distance) P-C4' energy: -107.870 flat angles C4'-P-C4' energy: -117.987 flat angles P-C4'-P energy: -59.661 tors. eta vs tors. theta energy: -10.083 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: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -691.386104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.386104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.386104 (E_RNA) where: Base-Base interactions energy: -318.531 where: short stacking energy: -179.009 Base-Backbone interact. energy: 0.451 local terms energy: -373.305745 where: bonds (distance) C4'-P energy: -107.375 bonds (distance) P-C4' energy: -108.846 flat angles C4'-P-C4' energy: -87.704 flat angles P-C4'-P energy: -71.279 tors. eta vs tors. theta energy: 1.898 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: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2406.166728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.166728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.166728 (E_RNA) where: Base-Base interactions energy: -1700.602 where: short stacking energy: -677.667 Base-Backbone interact. energy: -3.188 local terms energy: -702.377448 where: bonds (distance) C4'-P energy: -124.724 bonds (distance) P-C4' energy: -137.777 flat angles C4'-P-C4' energy: -152.625 flat angles P-C4'-P energy: -87.753 tors. eta vs tors. theta energy: -199.498 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: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2338.447137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.447137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.447137 (E_RNA) where: Base-Base interactions energy: -1604.609 where: short stacking energy: -703.225 Base-Backbone interact. energy: -0.859 local terms energy: -732.978593 where: bonds (distance) C4'-P energy: -124.980 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -100.307 tors. eta vs tors. theta energy: -222.912 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: 476 Temperature: 1.000000 Total energy: -2303.312787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.312787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.312787 (E_RNA) where: Base-Base interactions energy: -1599.940 where: short stacking energy: -660.892 Base-Backbone interact. energy: -3.843 local terms energy: -699.530002 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -110.392 flat angles C4'-P-C4' energy: -155.118 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -198.785 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: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2129.251049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.251049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.251049 (E_RNA) where: Base-Base interactions energy: -1460.619 where: short stacking energy: -633.837 Base-Backbone interact. energy: -2.985 local terms energy: -665.646907 where: bonds (distance) C4'-P energy: -124.853 bonds (distance) P-C4' energy: -118.327 flat angles C4'-P-C4' energy: -140.532 flat angles P-C4'-P energy: -89.608 tors. eta vs tors. theta energy: -192.328 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: 476 Temperature: 1.100000 Total energy: -1975.391968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.391968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.391968 (E_RNA) where: Base-Base interactions energy: -1370.410 where: short stacking energy: -572.584 Base-Backbone interact. energy: 1.430 local terms energy: -606.411803 where: bonds (distance) C4'-P energy: -97.834 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -145.187 flat angles P-C4'-P energy: -93.672 tors. eta vs tors. theta energy: -163.169 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: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1782.267453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.267453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.267453 (E_RNA) where: Base-Base interactions energy: -1186.199 where: short stacking energy: -513.381 Base-Backbone interact. energy: -3.300 local terms energy: -592.768568 where: bonds (distance) C4'-P energy: -127.454 bonds (distance) P-C4' energy: -118.582 flat angles C4'-P-C4' energy: -136.252 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -134.498 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: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1485.599033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.599033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.599033 (E_RNA) where: Base-Base interactions energy: -959.259 where: short stacking energy: -447.509 Base-Backbone interact. energy: -2.709 local terms energy: -523.631118 where: bonds (distance) C4'-P energy: -99.114 bonds (distance) P-C4' energy: -116.586 flat angles C4'-P-C4' energy: -118.332 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -115.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1390.956370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.956370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.956370 (E_RNA) where: Base-Base interactions energy: -887.830 where: short stacking energy: -413.095 Base-Backbone interact. energy: 1.677 local terms energy: -504.802624 where: bonds (distance) C4'-P energy: -103.524 bonds (distance) P-C4' energy: -115.851 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -78.815 tors. eta vs tors. theta energy: -91.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -883.856992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.856992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.856992 (E_RNA) where: Base-Base interactions energy: -523.357 where: short stacking energy: -249.716 Base-Backbone interact. energy: 4.863 local terms energy: -365.362614 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -112.935 flat angles C4'-P-C4' energy: -93.624 flat angles P-C4'-P energy: -35.423 tors. eta vs tors. theta energy: -26.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -636.687744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.687744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.687744 (E_RNA) where: Base-Base interactions energy: -283.939 where: short stacking energy: -181.620 Base-Backbone interact. energy: -0.385 local terms energy: -352.364000 where: bonds (distance) C4'-P energy: -97.859 bonds (distance) P-C4' energy: -115.618 flat angles C4'-P-C4' energy: -91.174 flat angles P-C4'-P energy: -62.758 tors. eta vs tors. theta energy: 15.045 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: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -2400.805036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.805036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.805036 (E_RNA) where: Base-Base interactions energy: -1687.487 where: short stacking energy: -661.288 Base-Backbone interact. energy: -4.356 local terms energy: -708.962377 where: bonds (distance) C4'-P energy: -143.334 bonds (distance) P-C4' energy: -127.161 flat angles C4'-P-C4' energy: -147.338 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -190.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2317.625428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.625428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.625428 (E_RNA) where: Base-Base interactions energy: -1561.642 where: short stacking energy: -689.686 Base-Backbone interact. energy: -0.304 local terms energy: -755.679533 where: bonds (distance) C4'-P energy: -135.023 bonds (distance) P-C4' energy: -144.301 flat angles C4'-P-C4' energy: -157.747 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -220.608 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: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2279.397551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.397551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.397551 (E_RNA) where: Base-Base interactions energy: -1580.956 where: short stacking energy: -660.384 Base-Backbone interact. energy: -2.862 local terms energy: -695.580283 where: bonds (distance) C4'-P energy: -136.749 bonds (distance) P-C4' energy: -113.746 flat angles C4'-P-C4' energy: -152.512 flat angles P-C4'-P energy: -102.533 tors. eta vs tors. theta energy: -190.040 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: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2123.541851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.541851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.541851 (E_RNA) where: Base-Base interactions energy: -1444.543 where: short stacking energy: -646.441 Base-Backbone interact. energy: 0.592 local terms energy: -679.590999 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -116.773 flat angles C4'-P-C4' energy: -153.258 flat angles P-C4'-P energy: -100.254 tors. eta vs tors. theta energy: -200.147 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: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1983.699544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.699544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.699544 (E_RNA) where: Base-Base interactions energy: -1357.899 where: short stacking energy: -575.626 Base-Backbone interact. energy: -0.022 local terms energy: -625.778781 where: bonds (distance) C4'-P energy: -110.787 bonds (distance) P-C4' energy: -128.667 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -85.261 tors. eta vs tors. theta energy: -159.743 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: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1796.837189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.837189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.837189 (E_RNA) where: Base-Base interactions energy: -1205.361 where: short stacking energy: -500.659 Base-Backbone interact. energy: 0.142 local terms energy: -591.618203 where: bonds (distance) C4'-P energy: -101.900 bonds (distance) P-C4' energy: -118.444 flat angles C4'-P-C4' energy: -133.025 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: -148.831 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: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1402.093424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.093424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.093424 (E_RNA) where: Base-Base interactions energy: -906.302 where: short stacking energy: -398.823 Base-Backbone interact. energy: -2.729 local terms energy: -493.062816 where: bonds (distance) C4'-P energy: -123.399 bonds (distance) P-C4' energy: -97.027 flat angles C4'-P-C4' energy: -105.379 flat angles P-C4'-P energy: -75.937 tors. eta vs tors. theta energy: -91.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1369.155793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.155793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.155793 (E_RNA) where: Base-Base interactions energy: -896.669 where: short stacking energy: -421.589 Base-Backbone interact. energy: -1.216 local terms energy: -471.270711 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -76.219 tors. eta vs tors. theta energy: -84.352 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: 9, replica: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -950.418162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.418162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.418162 (E_RNA) where: Base-Base interactions energy: -538.813 where: short stacking energy: -283.503 Base-Backbone interact. energy: 0.049 local terms energy: -411.654007 where: bonds (distance) C4'-P energy: -113.979 bonds (distance) P-C4' energy: -110.175 flat angles C4'-P-C4' energy: -86.975 flat angles P-C4'-P energy: -66.056 tors. eta vs tors. theta energy: -34.470 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: 10, replica: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -605.697756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.697756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.697756 (E_RNA) where: Base-Base interactions energy: -260.086 where: short stacking energy: -172.152 Base-Backbone interact. energy: 2.717 local terms energy: -348.328922 where: bonds (distance) C4'-P energy: -105.955 bonds (distance) P-C4' energy: -113.223 flat angles C4'-P-C4' energy: -105.507 flat angles P-C4'-P energy: -33.544 tors. eta vs tors. theta energy: 9.901 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: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -2382.334786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.334786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.334786 (E_RNA) where: Base-Base interactions energy: -1667.297 where: short stacking energy: -679.431 Base-Backbone interact. energy: -3.389 local terms energy: -711.649103 where: bonds (distance) C4'-P energy: -139.982 bonds (distance) P-C4' energy: -125.809 flat angles C4'-P-C4' energy: -146.139 flat angles P-C4'-P energy: -107.828 tors. eta vs tors. theta energy: -191.890 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: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2292.906773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.906773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.906773 (E_RNA) where: Base-Base interactions energy: -1564.356 where: short stacking energy: -682.864 Base-Backbone interact. energy: -3.519 local terms energy: -725.032157 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -122.054 flat angles C4'-P-C4' energy: -159.418 flat angles P-C4'-P energy: -107.668 tors. eta vs tors. theta energy: -207.861 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: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2288.938726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.938726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.938726 (E_RNA) where: Base-Base interactions energy: -1596.663 where: short stacking energy: -677.909 Base-Backbone interact. energy: 5.090 local terms energy: -697.365925 where: bonds (distance) C4'-P energy: -119.918 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -154.057 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -204.434 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: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2099.957817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.957817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.957817 (E_RNA) where: Base-Base interactions energy: -1423.066 where: short stacking energy: -627.198 Base-Backbone interact. energy: 0.249 local terms energy: -677.140907 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -125.811 flat angles C4'-P-C4' energy: -135.882 flat angles P-C4'-P energy: -86.770 tors. eta vs tors. theta energy: -196.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1979.944238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.944238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.944238 (E_RNA) where: Base-Base interactions energy: -1342.682 where: short stacking energy: -572.023 Base-Backbone interact. energy: -3.190 local terms energy: -634.071641 where: bonds (distance) C4'-P energy: -109.737 bonds (distance) P-C4' energy: -133.542 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -92.797 tors. eta vs tors. theta energy: -154.618 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: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1744.679609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.679609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.679609 (E_RNA) where: Base-Base interactions energy: -1179.579 where: short stacking energy: -490.415 Base-Backbone interact. energy: -0.821 local terms energy: -564.278858 where: bonds (distance) C4'-P energy: -118.710 bonds (distance) P-C4' energy: -124.002 flat angles C4'-P-C4' energy: -122.934 flat angles P-C4'-P energy: -76.058 tors. eta vs tors. theta energy: -122.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1437.416078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.416078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.416078 (E_RNA) where: Base-Base interactions energy: -912.294 where: short stacking energy: -402.648 Base-Backbone interact. energy: -1.571 local terms energy: -523.551680 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -132.055 flat angles C4'-P-C4' energy: -108.260 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -77.459 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: 8, replica: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1419.044980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.044980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.044980 (E_RNA) where: Base-Base interactions energy: -905.385 where: short stacking energy: -400.595 Base-Backbone interact. energy: -0.884 local terms energy: -512.776866 where: bonds (distance) C4'-P energy: -101.263 bonds (distance) P-C4' energy: -101.359 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -69.718 tors. eta vs tors. theta energy: -102.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -890.546402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.546402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.546402 (E_RNA) where: Base-Base interactions energy: -511.177 where: short stacking energy: -249.802 Base-Backbone interact. energy: -2.291 local terms energy: -377.077978 where: bonds (distance) C4'-P energy: -91.255 bonds (distance) P-C4' energy: -127.801 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -8.963 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: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -594.905726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.905726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.905726 (E_RNA) where: Base-Base interactions energy: -272.794 where: short stacking energy: -194.550 Base-Backbone interact. energy: -0.920 local terms energy: -321.192033 where: bonds (distance) C4'-P energy: -115.694 bonds (distance) P-C4' energy: -78.361 flat angles C4'-P-C4' energy: -98.140 flat angles P-C4'-P energy: -44.806 tors. eta vs tors. theta energy: 15.810 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: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2400.228275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.228275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.228275 (E_RNA) where: Base-Base interactions energy: -1705.945 where: short stacking energy: -672.378 Base-Backbone interact. energy: -2.661 local terms energy: -691.622147 where: bonds (distance) C4'-P energy: -121.998 bonds (distance) P-C4' energy: -137.922 flat angles C4'-P-C4' energy: -143.222 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -184.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2337.311397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.311397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.311397 (E_RNA) where: Base-Base interactions energy: -1578.069 where: short stacking energy: -722.805 Base-Backbone interact. energy: -1.332 local terms energy: -757.910507 where: bonds (distance) C4'-P energy: -136.608 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -156.235 flat angles P-C4'-P energy: -105.657 tors. eta vs tors. theta energy: -217.832 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: 479 Temperature: 1.000000 Total energy: -2236.720911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.720911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.720911 (E_RNA) where: Base-Base interactions energy: -1569.718 where: short stacking energy: -648.809 Base-Backbone interact. energy: -3.199 local terms energy: -663.804034 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -77.121 tors. eta vs tors. theta energy: -193.841 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: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2061.091373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.091373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.091373 (E_RNA) where: Base-Base interactions energy: -1409.421 where: short stacking energy: -593.543 Base-Backbone interact. energy: -2.281 local terms energy: -649.389126 where: bonds (distance) C4'-P energy: -118.193 bonds (distance) P-C4' energy: -126.831 flat angles C4'-P-C4' energy: -139.395 flat angles P-C4'-P energy: -101.431 tors. eta vs tors. theta energy: -163.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2038.389354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.389354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.389354 (E_RNA) where: Base-Base interactions energy: -1392.479 where: short stacking energy: -581.062 Base-Backbone interact. energy: -1.215 local terms energy: -644.695338 where: bonds (distance) C4'-P energy: -111.900 bonds (distance) P-C4' energy: -119.486 flat angles C4'-P-C4' energy: -137.801 flat angles P-C4'-P energy: -91.622 tors. eta vs tors. theta energy: -183.887 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: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1815.413599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.413599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.413599 (E_RNA) where: Base-Base interactions energy: -1220.029 where: short stacking energy: -486.411 Base-Backbone interact. energy: 1.961 local terms energy: -597.345688 where: bonds (distance) C4'-P energy: -126.460 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -137.951 flat angles P-C4'-P energy: -84.179 tors. eta vs tors. theta energy: -128.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1422.355052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.355052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.355052 (E_RNA) where: Base-Base interactions energy: -924.058 where: short stacking energy: -384.312 Base-Backbone interact. energy: 1.370 local terms energy: -499.667407 where: bonds (distance) C4'-P energy: -98.069 bonds (distance) P-C4' energy: -137.665 flat angles C4'-P-C4' energy: -115.829 flat angles P-C4'-P energy: -67.638 tors. eta vs tors. theta energy: -80.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1401.888821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.888821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.888821 (E_RNA) where: Base-Base interactions energy: -915.042 where: short stacking energy: -385.390 Base-Backbone interact. energy: -4.515 local terms energy: -482.332442 where: bonds (distance) C4'-P energy: -88.521 bonds (distance) P-C4' energy: -112.762 flat angles C4'-P-C4' energy: -112.179 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -895.075502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.075502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.075502 (E_RNA) where: Base-Base interactions energy: -491.514 where: short stacking energy: -260.276 Base-Backbone interact. energy: -2.332 local terms energy: -401.229575 where: bonds (distance) C4'-P energy: -91.830 bonds (distance) P-C4' energy: -123.985 flat angles C4'-P-C4' energy: -104.576 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -26.317 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: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -584.777890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.777890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.777890 (E_RNA) where: Base-Base interactions energy: -237.285 where: short stacking energy: -154.326 Base-Backbone interact. energy: 10.297 local terms energy: -357.789975 where: bonds (distance) C4'-P energy: -85.217 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -97.896 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: 14.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2393.793937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.793937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.793937 (E_RNA) where: Base-Base interactions energy: -1682.721 where: short stacking energy: -660.049 Base-Backbone interact. energy: -2.999 local terms energy: -708.073685 where: bonds (distance) C4'-P energy: -138.943 bonds (distance) P-C4' energy: -132.305 flat angles C4'-P-C4' energy: -141.267 flat angles P-C4'-P energy: -107.300 tors. eta vs tors. theta energy: -188.258 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: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2300.042398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.042398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.042398 (E_RNA) where: Base-Base interactions energy: -1586.850 where: short stacking energy: -697.342 Base-Backbone interact. energy: -0.747 local terms energy: -712.444774 where: bonds (distance) C4'-P energy: -124.478 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -141.197 flat angles P-C4'-P energy: -87.486 tors. eta vs tors. theta energy: -219.057 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: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2247.961268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.961268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.961268 (E_RNA) where: Base-Base interactions energy: -1564.813 where: short stacking energy: -651.185 Base-Backbone interact. energy: -0.260 local terms energy: -682.888985 where: bonds (distance) C4'-P energy: -113.977 bonds (distance) P-C4' energy: -122.191 flat angles C4'-P-C4' energy: -135.831 flat angles P-C4'-P energy: -102.308 tors. eta vs tors. theta energy: -208.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2064.138468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.138468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.138468 (E_RNA) where: Base-Base interactions energy: -1419.340 where: short stacking energy: -598.175 Base-Backbone interact. energy: 2.030 local terms energy: -646.828424 where: bonds (distance) C4'-P energy: -116.979 bonds (distance) P-C4' energy: -142.438 flat angles C4'-P-C4' energy: -127.051 flat angles P-C4'-P energy: -94.440 tors. eta vs tors. theta energy: -165.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2032.824840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.824840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.824840 (E_RNA) where: Base-Base interactions energy: -1354.265 where: short stacking energy: -577.183 Base-Backbone interact. energy: -2.684 local terms energy: -675.875856 where: bonds (distance) C4'-P energy: -125.156 bonds (distance) P-C4' energy: -135.589 flat angles C4'-P-C4' energy: -147.926 flat angles P-C4'-P energy: -96.076 tors. eta vs tors. theta energy: -171.128 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: 10 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1901.489103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.489103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.489103 (E_RNA) where: Base-Base interactions energy: -1318.152 where: short stacking energy: -512.393 Base-Backbone interact. energy: -1.860 local terms energy: -581.477181 where: bonds (distance) C4'-P energy: -113.787 bonds (distance) P-C4' energy: -126.668 flat angles C4'-P-C4' energy: -116.324 flat angles P-C4'-P energy: -74.358 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: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1442.105329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.105329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.105329 (E_RNA) where: Base-Base interactions energy: -935.401 where: short stacking energy: -406.224 Base-Backbone interact. energy: -1.362 local terms energy: -505.342920 where: bonds (distance) C4'-P energy: -113.250 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -114.543 flat angles P-C4'-P energy: -69.553 tors. eta vs tors. theta energy: -82.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1388.109995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.109995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.109995 (E_RNA) where: Base-Base interactions energy: -890.123 where: short stacking energy: -401.718 Base-Backbone interact. energy: 1.789 local terms energy: -499.776087 where: bonds (distance) C4'-P energy: -89.422 bonds (distance) P-C4' energy: -125.417 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -78.658 tors. eta vs tors. theta energy: -101.610 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: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -844.257680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.257680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.257680 (E_RNA) where: Base-Base interactions energy: -428.565 where: short stacking energy: -261.621 Base-Backbone interact. energy: 2.123 local terms energy: -417.815668 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -117.335 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -78.422 tors. eta vs tors. theta energy: -35.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -633.289081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.289081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.289081 (E_RNA) where: Base-Base interactions energy: -279.408 where: short stacking energy: -194.768 Base-Backbone interact. energy: 3.496 local terms energy: -357.377244 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -116.629 flat angles C4'-P-C4' energy: -88.549 flat angles P-C4'-P energy: -57.256 tors. eta vs tors. theta energy: 7.423 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: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2416.987937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.987937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.987937 (E_RNA) where: Base-Base interactions energy: -1707.303 where: short stacking energy: -684.785 Base-Backbone interact. energy: -0.846 local terms energy: -708.838407 where: bonds (distance) C4'-P energy: -131.531 bonds (distance) P-C4' energy: -132.363 flat angles C4'-P-C4' energy: -154.795 flat angles P-C4'-P energy: -103.915 tors. eta vs tors. theta energy: -186.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2315.602620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.602620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.602620 (E_RNA) where: Base-Base interactions energy: -1572.171 where: short stacking energy: -700.290 Base-Backbone interact. energy: -5.460 local terms energy: -737.971679 where: bonds (distance) C4'-P energy: -142.524 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -151.674 flat angles P-C4'-P energy: -95.498 tors. eta vs tors. theta energy: -223.670 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: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2251.395750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.395750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.395750 (E_RNA) where: Base-Base interactions energy: -1568.584 where: short stacking energy: -659.003 Base-Backbone interact. energy: 0.135 local terms energy: -682.946408 where: bonds (distance) C4'-P energy: -113.073 bonds (distance) P-C4' energy: -131.447 flat angles C4'-P-C4' energy: -145.872 flat angles P-C4'-P energy: -94.635 tors. eta vs tors. theta energy: -197.918 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2093.097393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.097393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.097393 (E_RNA) where: Base-Base interactions energy: -1426.281 where: short stacking energy: -625.564 Base-Backbone interact. energy: 1.591 local terms energy: -668.407760 where: bonds (distance) C4'-P energy: -116.984 bonds (distance) P-C4' energy: -127.005 flat angles C4'-P-C4' energy: -143.375 flat angles P-C4'-P energy: -90.577 tors. eta vs tors. theta energy: -190.467 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: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2015.189171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.189171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.189171 (E_RNA) where: Base-Base interactions energy: -1372.390 where: short stacking energy: -586.253 Base-Backbone interact. energy: -0.091 local terms energy: -642.707991 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -113.288 flat angles C4'-P-C4' energy: -140.952 flat angles P-C4'-P energy: -88.462 tors. eta vs tors. theta energy: -170.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1924.725836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.725836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.725836 (E_RNA) where: Base-Base interactions energy: -1331.349 where: short stacking energy: -525.290 Base-Backbone interact. energy: -2.105 local terms energy: -591.272045 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -112.945 flat angles C4'-P-C4' energy: -131.380 flat angles P-C4'-P energy: -89.632 tors. eta vs tors. theta energy: -148.771 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: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1482.927853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.927853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.927853 (E_RNA) where: Base-Base interactions energy: -963.937 where: short stacking energy: -433.220 Base-Backbone interact. energy: -0.784 local terms energy: -518.207300 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -105.697 flat angles C4'-P-C4' energy: -120.036 flat angles P-C4'-P energy: -80.495 tors. eta vs tors. theta energy: -100.368 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: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1351.363423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.363423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.363423 (E_RNA) where: Base-Base interactions energy: -828.507 where: short stacking energy: -392.665 Base-Backbone interact. energy: -0.148 local terms energy: -522.708514 where: bonds (distance) C4'-P energy: -120.871 bonds (distance) P-C4' energy: -120.444 flat angles C4'-P-C4' energy: -116.300 flat angles P-C4'-P energy: -68.457 tors. eta vs tors. theta energy: -96.635 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: 9, replica: 6 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -818.220195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.220195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.220195 (E_RNA) where: Base-Base interactions energy: -415.340 where: short stacking energy: -261.240 Base-Backbone interact. energy: -3.359 local terms energy: -399.521387 where: bonds (distance) C4'-P energy: -114.199 bonds (distance) P-C4' energy: -111.870 flat angles C4'-P-C4' energy: -94.415 flat angles P-C4'-P energy: -53.559 tors. eta vs tors. theta energy: -25.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -589.362969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.362969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.362969 (E_RNA) where: Base-Base interactions energy: -244.822 where: short stacking energy: -151.832 Base-Backbone interact. energy: 2.304 local terms energy: -346.845545 where: bonds (distance) C4'-P energy: -119.361 bonds (distance) P-C4' energy: -106.547 flat angles C4'-P-C4' energy: -92.943 flat angles P-C4'-P energy: -60.194 tors. eta vs tors. theta energy: 32.200 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: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2422.694808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.694808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.694808 (E_RNA) where: Base-Base interactions energy: -1721.221 where: short stacking energy: -678.442 Base-Backbone interact. energy: -5.410 local terms energy: -696.063781 where: bonds (distance) C4'-P energy: -124.889 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -107.541 tors. eta vs tors. theta energy: -195.855 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: 2, replica: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2290.626311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.626311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.626311 (E_RNA) where: Base-Base interactions energy: -1574.046 where: short stacking energy: -691.640 Base-Backbone interact. energy: -1.014 local terms energy: -715.566273 where: bonds (distance) C4'-P energy: -132.049 bonds (distance) P-C4' energy: -135.062 flat angles C4'-P-C4' energy: -141.314 flat angles P-C4'-P energy: -100.812 tors. eta vs tors. theta energy: -206.329 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: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2209.214371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.214371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.214371 (E_RNA) where: Base-Base interactions energy: -1551.276 where: short stacking energy: -645.174 Base-Backbone interact. energy: -3.926 local terms energy: -654.012479 where: bonds (distance) C4'-P energy: -116.325 bonds (distance) P-C4' energy: -119.856 flat angles C4'-P-C4' energy: -137.070 flat angles P-C4'-P energy: -97.280 tors. eta vs tors. theta energy: -183.481 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: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2072.755583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.755583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.755583 (E_RNA) where: Base-Base interactions energy: -1427.839 where: short stacking energy: -604.958 Base-Backbone interact. energy: -1.872 local terms energy: -643.044866 where: bonds (distance) C4'-P energy: -110.572 bonds (distance) P-C4' energy: -134.922 flat angles C4'-P-C4' energy: -139.385 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -176.221 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: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2024.088734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.088734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.088734 (E_RNA) where: Base-Base interactions energy: -1378.715 where: short stacking energy: -592.836 Base-Backbone interact. energy: -2.961 local terms energy: -642.413142 where: bonds (distance) C4'-P energy: -130.598 bonds (distance) P-C4' energy: -116.942 flat angles C4'-P-C4' energy: -148.756 flat angles P-C4'-P energy: -76.380 tors. eta vs tors. theta energy: -169.736 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: 6, replica: 10 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1888.235861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.235861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.235861 (E_RNA) where: Base-Base interactions energy: -1314.271 where: short stacking energy: -503.437 Base-Backbone interact. energy: 0.017 local terms energy: -573.981518 where: bonds (distance) C4'-P energy: -121.311 bonds (distance) P-C4' energy: -95.355 flat angles C4'-P-C4' energy: -126.577 flat angles P-C4'-P energy: -89.907 tors. eta vs tors. theta energy: -140.832 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: 7, replica: 9 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1462.864645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.864645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.864645 (E_RNA) where: Base-Base interactions energy: -933.519 where: short stacking energy: -394.877 Base-Backbone interact. energy: -2.486 local terms energy: -526.860180 where: bonds (distance) C4'-P energy: -124.925 bonds (distance) P-C4' energy: -112.342 flat angles C4'-P-C4' energy: -127.089 flat angles P-C4'-P energy: -82.140 tors. eta vs tors. theta energy: -80.364 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: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1309.976327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.976327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.976327 (E_RNA) where: Base-Base interactions energy: -830.513 where: short stacking energy: -365.559 Base-Backbone interact. energy: -2.190 local terms energy: -477.273089 where: bonds (distance) C4'-P energy: -97.966 bonds (distance) P-C4' energy: -112.567 flat angles C4'-P-C4' energy: -133.816 flat angles P-C4'-P energy: -59.169 tors. eta vs tors. theta energy: -73.755 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: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -833.847897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.847897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.847897 (E_RNA) where: Base-Base interactions energy: -424.361 where: short stacking energy: -239.404 Base-Backbone interact. energy: 0.398 local terms energy: -409.884989 where: bonds (distance) C4'-P energy: -106.974 bonds (distance) P-C4' energy: -112.644 flat angles C4'-P-C4' energy: -104.931 flat angles P-C4'-P energy: -72.087 tors. eta vs tors. theta energy: -13.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -686.796321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.796321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.796321 (E_RNA) where: Base-Base interactions energy: -325.129 where: short stacking energy: -194.596 Base-Backbone interact. energy: -1.592 local terms energy: -360.075038 where: bonds (distance) C4'-P energy: -100.186 bonds (distance) P-C4' energy: -114.544 flat angles C4'-P-C4' energy: -80.897 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2442.704967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.704967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.704967 (E_RNA) where: Base-Base interactions energy: -1697.845 where: short stacking energy: -677.585 Base-Backbone interact. energy: -2.897 local terms energy: -741.962865 where: bonds (distance) C4'-P energy: -152.968 bonds (distance) P-C4' energy: -148.617 flat angles C4'-P-C4' energy: -148.069 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -197.421 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2334.027592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.027592 (E_RNA) where: Base-Base interactions energy: -1608.604 where: short stacking energy: -708.280 Base-Backbone interact. energy: -2.270 local terms energy: -723.153454 where: bonds (distance) C4'-P energy: -114.519 bonds (distance) P-C4' energy: -124.966 flat angles C4'-P-C4' energy: -157.708 flat angles P-C4'-P energy: -106.635 tors. eta vs tors. theta energy: -219.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2213.198355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.198355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.198355 (E_RNA) where: Base-Base interactions energy: -1534.909 where: short stacking energy: -636.633 Base-Backbone interact. energy: -5.852 local terms energy: -672.437485 where: bonds (distance) C4'-P energy: -136.402 bonds (distance) P-C4' energy: -108.458 flat angles C4'-P-C4' energy: -144.313 flat angles P-C4'-P energy: -84.732 tors. eta vs tors. theta energy: -198.532 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: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2051.128112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.128112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.128112 (E_RNA) where: Base-Base interactions energy: -1389.896 where: short stacking energy: -581.267 Base-Backbone interact. energy: -3.170 local terms energy: -658.062779 where: bonds (distance) C4'-P energy: -127.684 bonds (distance) P-C4' energy: -122.053 flat angles C4'-P-C4' energy: -135.949 flat angles P-C4'-P energy: -93.271 tors. eta vs tors. theta energy: -179.107 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: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2018.230615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.230615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.230615 (E_RNA) where: Base-Base interactions energy: -1380.458 where: short stacking energy: -576.876 Base-Backbone interact. energy: -0.599 local terms energy: -637.173828 where: bonds (distance) C4'-P energy: -113.619 bonds (distance) P-C4' energy: -124.129 flat angles C4'-P-C4' energy: -142.363 flat angles P-C4'-P energy: -93.332 tors. eta vs tors. theta energy: -163.731 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: 6, replica: 10 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1844.992915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.992915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.992915 (E_RNA) where: Base-Base interactions energy: -1281.598 where: short stacking energy: -539.056 Base-Backbone interact. energy: -1.850 local terms energy: -561.545558 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -110.608 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -88.334 tors. eta vs tors. theta energy: -132.819 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: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1476.268104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.268104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.268104 (E_RNA) where: Base-Base interactions energy: -986.685 where: short stacking energy: -459.457 Base-Backbone interact. energy: 5.216 local terms energy: -494.799620 where: bonds (distance) C4'-P energy: -93.936 bonds (distance) P-C4' energy: -109.106 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -107.152 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: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1382.992016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.992016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.992016 (E_RNA) where: Base-Base interactions energy: -886.137 where: short stacking energy: -410.208 Base-Backbone interact. energy: -0.972 local terms energy: -495.882978 where: bonds (distance) C4'-P energy: -109.389 bonds (distance) P-C4' energy: -96.552 flat angles C4'-P-C4' energy: -122.654 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -104.946 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: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -792.897643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.897643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.897643 (E_RNA) where: Base-Base interactions energy: -388.394 where: short stacking energy: -243.009 Base-Backbone interact. energy: -0.502 local terms energy: -404.000927 where: bonds (distance) C4'-P energy: -95.086 bonds (distance) P-C4' energy: -117.942 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -51.919 tors. eta vs tors. theta energy: -28.330 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: 10, replica: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -657.581266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.581266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.581266 (E_RNA) where: Base-Base interactions energy: -311.245 where: short stacking energy: -197.259 Base-Backbone interact. energy: 6.121 local terms energy: -352.457628 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -112.248 flat angles C4'-P-C4' energy: -91.450 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -4.309 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: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2429.472577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.472577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.472577 (E_RNA) where: Base-Base interactions energy: -1725.064 where: short stacking energy: -681.728 Base-Backbone interact. energy: -5.494 local terms energy: -698.914808 where: bonds (distance) C4'-P energy: -133.758 bonds (distance) P-C4' energy: -119.422 flat angles C4'-P-C4' energy: -146.220 flat angles P-C4'-P energy: -106.255 tors. eta vs tors. theta energy: -193.261 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: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2278.157317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.157317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.157317 (E_RNA) where: Base-Base interactions energy: -1534.334 where: short stacking energy: -666.944 Base-Backbone interact. energy: -2.876 local terms energy: -740.947294 where: bonds (distance) C4'-P energy: -137.669 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -150.957 flat angles P-C4'-P energy: -109.009 tors. eta vs tors. theta energy: -209.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2293.035633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.035633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.035633 (E_RNA) where: Base-Base interactions energy: -1580.351 where: short stacking energy: -658.405 Base-Backbone interact. energy: -2.535 local terms energy: -710.150059 where: bonds (distance) C4'-P energy: -134.065 bonds (distance) P-C4' energy: -134.570 flat angles C4'-P-C4' energy: -154.368 flat angles P-C4'-P energy: -85.270 tors. eta vs tors. theta energy: -201.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2108.655113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.655113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.655113 (E_RNA) where: Base-Base interactions energy: -1444.054 where: short stacking energy: -605.675 Base-Backbone interact. energy: -2.099 local terms energy: -662.501591 where: bonds (distance) C4'-P energy: -107.686 bonds (distance) P-C4' energy: -132.957 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -94.910 tors. eta vs tors. theta energy: -178.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2054.691343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.691343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.691343 (E_RNA) where: Base-Base interactions energy: -1439.692 where: short stacking energy: -589.011 Base-Backbone interact. energy: -4.154 local terms energy: -610.844768 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -118.908 flat angles C4'-P-C4' energy: -125.816 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -162.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1822.331464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.331464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.331464 (E_RNA) where: Base-Base interactions energy: -1232.858 where: short stacking energy: -524.227 Base-Backbone interact. energy: 0.261 local terms energy: -589.735067 where: bonds (distance) C4'-P energy: -119.044 bonds (distance) P-C4' energy: -124.438 flat angles C4'-P-C4' energy: -113.059 flat angles P-C4'-P energy: -91.365 tors. eta vs tors. theta energy: -141.828 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: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1514.675166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.675166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.675166 (E_RNA) where: Base-Base interactions energy: -1012.137 where: short stacking energy: -426.719 Base-Backbone interact. energy: -2.638 local terms energy: -499.900513 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -118.869 flat angles P-C4'-P energy: -67.574 tors. eta vs tors. theta energy: -105.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1416.290141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.290141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.290141 (E_RNA) where: Base-Base interactions energy: -896.351 where: short stacking energy: -404.132 Base-Backbone interact. energy: -0.227 local terms energy: -519.711998 where: bonds (distance) C4'-P energy: -124.700 bonds (distance) P-C4' energy: -111.107 flat angles C4'-P-C4' energy: -113.598 flat angles P-C4'-P energy: -96.250 tors. eta vs tors. theta energy: -74.057 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: 9, replica: 6 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -849.252988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.252988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.252988 (E_RNA) where: Base-Base interactions energy: -457.161 where: short stacking energy: -253.056 Base-Backbone interact. energy: -3.714 local terms energy: -388.377706 where: bonds (distance) C4'-P energy: -104.682 bonds (distance) P-C4' energy: -99.391 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -49.602 tors. eta vs tors. theta energy: -31.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -661.823173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.823173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.823173 (E_RNA) where: Base-Base interactions energy: -314.963 where: short stacking energy: -231.279 Base-Backbone interact. energy: -0.146 local terms energy: -346.714356 where: bonds (distance) C4'-P energy: -114.094 bonds (distance) P-C4' energy: -106.675 flat angles C4'-P-C4' energy: -71.738 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: -13.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2429.098569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.098569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.098569 (E_RNA) where: Base-Base interactions energy: -1717.968 where: short stacking energy: -669.524 Base-Backbone interact. energy: -4.523 local terms energy: -706.607853 where: bonds (distance) C4'-P energy: -132.517 bonds (distance) P-C4' energy: -126.962 flat angles C4'-P-C4' energy: -142.074 flat angles P-C4'-P energy: -109.207 tors. eta vs tors. theta energy: -195.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2322.243977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.243977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.243977 (E_RNA) where: Base-Base interactions energy: -1596.984 where: short stacking energy: -706.526 Base-Backbone interact. energy: -2.167 local terms energy: -723.093064 where: bonds (distance) C4'-P energy: -114.712 bonds (distance) P-C4' energy: -125.290 flat angles C4'-P-C4' energy: -156.416 flat angles P-C4'-P energy: -107.677 tors. eta vs tors. theta energy: -218.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2255.120519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.120519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.120519 (E_RNA) where: Base-Base interactions energy: -1583.479 where: short stacking energy: -642.702 Base-Backbone interact. energy: -1.850 local terms energy: -669.790638 where: bonds (distance) C4'-P energy: -124.748 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -147.063 flat angles P-C4'-P energy: -87.958 tors. eta vs tors. theta energy: -187.080 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: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2085.249423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.249423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.249423 (E_RNA) where: Base-Base interactions energy: -1413.818 where: short stacking energy: -581.582 Base-Backbone interact. energy: -4.038 local terms energy: -667.393458 where: bonds (distance) C4'-P energy: -126.612 bonds (distance) P-C4' energy: -130.539 flat angles C4'-P-C4' energy: -137.701 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -177.959 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: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2024.091155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.091155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.091155 (E_RNA) where: Base-Base interactions energy: -1394.570 where: short stacking energy: -607.472 Base-Backbone interact. energy: -2.787 local terms energy: -626.733312 where: bonds (distance) C4'-P energy: -104.321 bonds (distance) P-C4' energy: -111.950 flat angles C4'-P-C4' energy: -137.662 flat angles P-C4'-P energy: -94.161 tors. eta vs tors. theta energy: -178.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1892.714439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.714439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.714439 (E_RNA) where: Base-Base interactions energy: -1290.237 where: short stacking energy: -541.660 Base-Backbone interact. energy: -0.713 local terms energy: -601.763676 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -109.665 flat angles C4'-P-C4' energy: -127.900 flat angles P-C4'-P energy: -80.571 tors. eta vs tors. theta energy: -148.122 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: 485 Temperature: 1.200000 Total energy: -1534.307116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.307116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.307116 (E_RNA) where: Base-Base interactions energy: -1017.188 where: short stacking energy: -447.358 Base-Backbone interact. energy: -1.453 local terms energy: -515.665556 where: bonds (distance) C4'-P energy: -94.755 bonds (distance) P-C4' energy: -109.463 flat angles C4'-P-C4' energy: -122.189 flat angles P-C4'-P energy: -77.474 tors. eta vs tors. theta energy: -111.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1370.102198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.102198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.102198 (E_RNA) where: Base-Base interactions energy: -875.568 where: short stacking energy: -402.069 Base-Backbone interact. energy: 0.416 local terms energy: -494.950174 where: bonds (distance) C4'-P energy: -103.344 bonds (distance) P-C4' energy: -114.668 flat angles C4'-P-C4' energy: -103.876 flat angles P-C4'-P energy: -81.852 tors. eta vs tors. theta energy: -91.210 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: 9, replica: 6 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -844.622356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.622356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.622356 (E_RNA) where: Base-Base interactions energy: -406.045 where: short stacking energy: -220.119 Base-Backbone interact. energy: -0.459 local terms energy: -438.118893 where: bonds (distance) C4'-P energy: -108.984 bonds (distance) P-C4' energy: -122.911 flat angles C4'-P-C4' energy: -115.274 flat angles P-C4'-P energy: -74.315 tors. eta vs tors. theta energy: -16.634 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: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -619.183198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.183198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.183198 (E_RNA) where: Base-Base interactions energy: -274.105 where: short stacking energy: -175.561 Base-Backbone interact. energy: 3.775 local terms energy: -348.852805 where: bonds (distance) C4'-P energy: -127.321 bonds (distance) P-C4' energy: -115.501 flat angles C4'-P-C4' energy: -83.736 flat angles P-C4'-P energy: -32.613 tors. eta vs tors. theta energy: 10.318 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: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2423.364529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.364529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.364529 (E_RNA) where: Base-Base interactions energy: -1692.486 where: short stacking energy: -655.601 Base-Backbone interact. energy: -3.373 local terms energy: -727.504812 where: bonds (distance) C4'-P energy: -142.060 bonds (distance) P-C4' energy: -134.229 flat angles C4'-P-C4' energy: -158.978 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -190.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2325.789809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.789809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.789809 (E_RNA) where: Base-Base interactions energy: -1589.193 where: short stacking energy: -699.458 Base-Backbone interact. energy: -2.976 local terms energy: -733.620617 where: bonds (distance) C4'-P energy: -130.429 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -155.960 flat angles P-C4'-P energy: -98.074 tors. eta vs tors. theta energy: -219.187 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: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2251.568061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.568061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.568061 (E_RNA) where: Base-Base interactions energy: -1545.607 where: short stacking energy: -632.885 Base-Backbone interact. energy: -3.575 local terms energy: -702.386014 where: bonds (distance) C4'-P energy: -117.279 bonds (distance) P-C4' energy: -132.755 flat angles C4'-P-C4' energy: -156.352 flat angles P-C4'-P energy: -96.585 tors. eta vs tors. theta energy: -199.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2078.090875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.090875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.090875 (E_RNA) where: Base-Base interactions energy: -1423.676 where: short stacking energy: -620.847 Base-Backbone interact. energy: -2.329 local terms energy: -652.085877 where: bonds (distance) C4'-P energy: -122.408 bonds (distance) P-C4' energy: -121.789 flat angles C4'-P-C4' energy: -144.756 flat angles P-C4'-P energy: -92.945 tors. eta vs tors. theta energy: -170.188 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: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2014.584559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.584559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.584559 (E_RNA) where: Base-Base interactions energy: -1368.914 where: short stacking energy: -583.778 Base-Backbone interact. energy: 0.957 local terms energy: -646.627978 where: bonds (distance) C4'-P energy: -110.310 bonds (distance) P-C4' energy: -115.564 flat angles C4'-P-C4' energy: -148.289 flat angles P-C4'-P energy: -99.992 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1817.955022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.955022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.955022 (E_RNA) where: Base-Base interactions energy: -1261.867 where: short stacking energy: -531.872 Base-Backbone interact. energy: 3.593 local terms energy: -559.681469 where: bonds (distance) C4'-P energy: -98.153 bonds (distance) P-C4' energy: -109.782 flat angles C4'-P-C4' energy: -126.505 flat angles P-C4'-P energy: -81.048 tors. eta vs tors. theta energy: -144.193 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: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1472.671681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.671681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.671681 (E_RNA) where: Base-Base interactions energy: -963.791 where: short stacking energy: -407.080 Base-Backbone interact. energy: 0.561 local terms energy: -509.442156 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -127.758 flat angles C4'-P-C4' energy: -107.697 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: -88.704 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1346.590407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.590407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.590407 (E_RNA) where: Base-Base interactions energy: -901.012 where: short stacking energy: -391.174 Base-Backbone interact. energy: -3.745 local terms energy: -441.833989 where: bonds (distance) C4'-P energy: -118.933 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -114.141 flat angles P-C4'-P energy: -67.232 tors. eta vs tors. theta energy: -66.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -808.076259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.076259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.076259 (E_RNA) where: Base-Base interactions energy: -405.180 where: short stacking energy: -246.647 Base-Backbone interact. energy: 1.246 local terms energy: -404.141992 where: bonds (distance) C4'-P energy: -121.305 bonds (distance) P-C4' energy: -104.695 flat angles C4'-P-C4' energy: -99.605 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -9.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -550.743935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.743935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.743935 (E_RNA) where: Base-Base interactions energy: -223.421 where: short stacking energy: -166.614 Base-Backbone interact. energy: -2.846 local terms energy: -324.477357 where: bonds (distance) C4'-P energy: -98.304 bonds (distance) P-C4' energy: -115.840 flat angles C4'-P-C4' energy: -89.108 flat angles P-C4'-P energy: -42.991 tors. eta vs tors. theta energy: 21.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2419.190420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.190420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.190420 (E_RNA) where: Base-Base interactions energy: -1714.667 where: short stacking energy: -671.337 Base-Backbone interact. energy: -3.082 local terms energy: -701.441431 where: bonds (distance) C4'-P energy: -126.997 bonds (distance) P-C4' energy: -134.103 flat angles C4'-P-C4' energy: -140.405 flat angles P-C4'-P energy: -100.632 tors. eta vs tors. theta energy: -199.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2317.012207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.012207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.012207 (E_RNA) where: Base-Base interactions energy: -1583.304 where: short stacking energy: -678.673 Base-Backbone interact. energy: -2.117 local terms energy: -731.591034 where: bonds (distance) C4'-P energy: -133.942 bonds (distance) P-C4' energy: -136.836 flat angles C4'-P-C4' energy: -144.213 flat angles P-C4'-P energy: -103.285 tors. eta vs tors. theta energy: -213.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2275.036760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.036760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.036760 (E_RNA) where: Base-Base interactions energy: -1580.620 where: short stacking energy: -648.277 Base-Backbone interact. energy: -5.886 local terms energy: -688.531037 where: bonds (distance) C4'-P energy: -115.245 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -146.472 flat angles P-C4'-P energy: -86.706 tors. eta vs tors. theta energy: -211.334 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: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2070.287161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.287161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.287161 (E_RNA) where: Base-Base interactions energy: -1445.374 where: short stacking energy: -638.154 Base-Backbone interact. energy: 1.884 local terms energy: -626.797450 where: bonds (distance) C4'-P energy: -112.402 bonds (distance) P-C4' energy: -100.685 flat angles C4'-P-C4' energy: -128.294 flat angles P-C4'-P energy: -108.254 tors. eta vs tors. theta energy: -177.162 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: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2091.790946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.790946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.790946 (E_RNA) where: Base-Base interactions energy: -1437.916 where: short stacking energy: -613.612 Base-Backbone interact. energy: -3.083 local terms energy: -650.792105 where: bonds (distance) C4'-P energy: -113.199 bonds (distance) P-C4' energy: -130.610 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -92.313 tors. eta vs tors. theta energy: -176.323 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: 10 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1826.549121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.549121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.549121 (E_RNA) where: Base-Base interactions energy: -1266.580 where: short stacking energy: -543.830 Base-Backbone interact. energy: 0.677 local terms energy: -560.646130 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -110.407 flat angles C4'-P-C4' energy: -128.927 flat angles P-C4'-P energy: -82.956 tors. eta vs tors. theta energy: -149.208 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: 7, replica: 3 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1446.512268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.512268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.512268 (E_RNA) where: Base-Base interactions energy: -900.777 where: short stacking energy: -404.659 Base-Backbone interact. energy: -1.309 local terms energy: -544.425878 where: bonds (distance) C4'-P energy: -104.805 bonds (distance) P-C4' energy: -137.129 flat angles C4'-P-C4' energy: -126.817 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -94.517 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: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1375.949099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.949099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.949099 (E_RNA) where: Base-Base interactions energy: -866.761 where: short stacking energy: -382.454 Base-Backbone interact. energy: 1.242 local terms energy: -510.430163 where: bonds (distance) C4'-P energy: -108.598 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -120.899 flat angles P-C4'-P energy: -73.518 tors. eta vs tors. theta energy: -83.625 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: 9, replica: 6 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -826.658157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.658157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.658157 (E_RNA) where: Base-Base interactions energy: -446.721 where: short stacking energy: -252.819 Base-Backbone interact. energy: 3.193 local terms energy: -383.129732 where: bonds (distance) C4'-P energy: -95.038 bonds (distance) P-C4' energy: -120.223 flat angles C4'-P-C4' energy: -90.834 flat angles P-C4'-P energy: -58.360 tors. eta vs tors. theta energy: -18.675 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: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -512.987428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.987428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.987428 (E_RNA) where: Base-Base interactions energy: -168.262 where: short stacking energy: -158.457 Base-Backbone interact. energy: 3.573 local terms energy: -348.298629 where: bonds (distance) C4'-P energy: -92.107 bonds (distance) P-C4' energy: -136.519 flat angles C4'-P-C4' energy: -81.160 flat angles P-C4'-P energy: -49.151 tors. eta vs tors. theta energy: 10.638 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: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2416.015047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.015047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.015047 (E_RNA) where: Base-Base interactions energy: -1720.410 where: short stacking energy: -687.012 Base-Backbone interact. energy: 0.228 local terms energy: -695.832978 where: bonds (distance) C4'-P energy: -125.668 bonds (distance) P-C4' energy: -120.006 flat angles C4'-P-C4' energy: -148.330 flat angles P-C4'-P energy: -109.427 tors. eta vs tors. theta energy: -192.402 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: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2291.443012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.443012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.443012 (E_RNA) where: Base-Base interactions energy: -1566.985 where: short stacking energy: -695.841 Base-Backbone interact. energy: -2.595 local terms energy: -721.863240 where: bonds (distance) C4'-P energy: -117.619 bonds (distance) P-C4' energy: -139.211 flat angles C4'-P-C4' energy: -151.103 flat angles P-C4'-P energy: -96.057 tors. eta vs tors. theta energy: -217.873 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: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2241.799528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.799528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.799528 (E_RNA) where: Base-Base interactions energy: -1538.625 where: short stacking energy: -650.697 Base-Backbone interact. energy: -1.275 local terms energy: -701.899556 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -125.437 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -99.511 tors. eta vs tors. theta energy: -191.832 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: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2117.576623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.576623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.576623 (E_RNA) where: Base-Base interactions energy: -1443.210 where: short stacking energy: -624.922 Base-Backbone interact. energy: -0.738 local terms energy: -673.628724 where: bonds (distance) C4'-P energy: -129.487 bonds (distance) P-C4' energy: -124.902 flat angles C4'-P-C4' energy: -140.903 flat angles P-C4'-P energy: -93.789 tors. eta vs tors. theta energy: -184.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2078.254239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.254239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.254239 (E_RNA) where: Base-Base interactions energy: -1444.731 where: short stacking energy: -618.234 Base-Backbone interact. energy: 1.758 local terms energy: -635.281689 where: bonds (distance) C4'-P energy: -106.887 bonds (distance) P-C4' energy: -129.914 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -75.906 tors. eta vs tors. theta energy: -186.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1767.542033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.542033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.542033 (E_RNA) where: Base-Base interactions energy: -1172.648 where: short stacking energy: -495.665 Base-Backbone interact. energy: -5.850 local terms energy: -589.044802 where: bonds (distance) C4'-P energy: -110.816 bonds (distance) P-C4' energy: -115.722 flat angles C4'-P-C4' energy: -129.079 flat angles P-C4'-P energy: -88.688 tors. eta vs tors. theta energy: -144.739 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: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1490.584849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.584849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.584849 (E_RNA) where: Base-Base interactions energy: -971.374 where: short stacking energy: -447.231 Base-Backbone interact. energy: 0.477 local terms energy: -519.687925 where: bonds (distance) C4'-P energy: -116.282 bonds (distance) P-C4' energy: -115.206 flat angles C4'-P-C4' energy: -131.003 flat angles P-C4'-P energy: -66.329 tors. eta vs tors. theta energy: -90.868 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: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1366.403444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.403444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.403444 (E_RNA) where: Base-Base interactions energy: -934.456 where: short stacking energy: -399.621 Base-Backbone interact. energy: 2.519 local terms energy: -434.467274 where: bonds (distance) C4'-P energy: -88.426 bonds (distance) P-C4' energy: -103.678 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: -77.358 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: 9, replica: 6 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -854.994725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.994725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.994725 (E_RNA) where: Base-Base interactions energy: -499.141 where: short stacking energy: -253.504 Base-Backbone interact. energy: -1.591 local terms energy: -354.262166 where: bonds (distance) C4'-P energy: -97.799 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -104.305 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: 4.967 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: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -511.997255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.997255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.997255 (E_RNA) where: Base-Base interactions energy: -165.587 where: short stacking energy: -155.008 Base-Backbone interact. energy: -0.479 local terms energy: -345.931588 where: bonds (distance) C4'-P energy: -113.130 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -82.877 flat angles P-C4'-P energy: -54.681 tors. eta vs tors. theta energy: 14.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2421.616624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.616624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.616624 (E_RNA) where: Base-Base interactions energy: -1681.165 where: short stacking energy: -690.556 Base-Backbone interact. energy: -6.506 local terms energy: -733.945217 where: bonds (distance) C4'-P energy: -140.140 bonds (distance) P-C4' energy: -142.187 flat angles C4'-P-C4' energy: -149.976 flat angles P-C4'-P energy: -99.146 tors. eta vs tors. theta energy: -202.496 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: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2249.089494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.089494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.089494 (E_RNA) where: Base-Base interactions energy: -1538.914 where: short stacking energy: -682.612 Base-Backbone interact. energy: -2.615 local terms energy: -707.560521 where: bonds (distance) C4'-P energy: -120.065 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -149.887 flat angles P-C4'-P energy: -106.852 tors. eta vs tors. theta energy: -208.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2254.360575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.360575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.360575 (E_RNA) where: Base-Base interactions energy: -1553.285 where: short stacking energy: -671.685 Base-Backbone interact. energy: -1.858 local terms energy: -699.217251 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -108.699 flat angles C4'-P-C4' energy: -153.950 flat angles P-C4'-P energy: -104.398 tors. eta vs tors. theta energy: -202.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2085.858335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.858335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.858335 (E_RNA) where: Base-Base interactions energy: -1429.847 where: short stacking energy: -604.912 Base-Backbone interact. energy: -3.339 local terms energy: -652.672540 where: bonds (distance) C4'-P energy: -120.306 bonds (distance) P-C4' energy: -130.913 flat angles C4'-P-C4' energy: -136.715 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -178.996 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: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2004.989349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.989349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.989349 (E_RNA) where: Base-Base interactions energy: -1354.717 where: short stacking energy: -565.027 Base-Backbone interact. energy: -0.303 local terms energy: -649.969147 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -128.143 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -94.343 tors. eta vs tors. theta energy: -172.163 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: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1794.970662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.970662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.970662 (E_RNA) where: Base-Base interactions energy: -1202.553 where: short stacking energy: -535.737 Base-Backbone interact. energy: -3.270 local terms energy: -589.147030 where: bonds (distance) C4'-P energy: -122.339 bonds (distance) P-C4' energy: -99.335 flat angles C4'-P-C4' energy: -135.530 flat angles P-C4'-P energy: -81.689 tors. eta vs tors. theta energy: -150.253 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: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1519.243765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.243765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.243765 (E_RNA) where: Base-Base interactions energy: -1003.360 where: short stacking energy: -425.054 Base-Backbone interact. energy: -3.773 local terms energy: -512.111327 where: bonds (distance) C4'-P energy: -112.423 bonds (distance) P-C4' energy: -112.662 flat angles C4'-P-C4' energy: -126.154 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: -100.162 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: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1267.869756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.869756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.869756 (E_RNA) where: Base-Base interactions energy: -849.743 where: short stacking energy: -379.967 Base-Backbone interact. energy: 0.369 local terms energy: -418.496306 where: bonds (distance) C4'-P energy: -98.449 bonds (distance) P-C4' energy: -111.968 flat angles C4'-P-C4' energy: -83.368 flat angles P-C4'-P energy: -62.654 tors. eta vs tors. theta energy: -62.057 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: 9, replica: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -859.048086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.048086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.048086 (E_RNA) where: Base-Base interactions energy: -472.248 where: short stacking energy: -247.900 Base-Backbone interact. energy: 5.112 local terms energy: -391.912699 where: bonds (distance) C4'-P energy: -118.022 bonds (distance) P-C4' energy: -114.597 flat angles C4'-P-C4' energy: -97.793 flat angles P-C4'-P energy: -41.152 tors. eta vs tors. theta energy: -20.349 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: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -529.337382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.337382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.337382 (E_RNA) where: Base-Base interactions energy: -181.502 where: short stacking energy: -150.250 Base-Backbone interact. energy: -0.278 local terms energy: -347.557195 where: bonds (distance) C4'-P energy: -112.178 bonds (distance) P-C4' energy: -123.072 flat angles C4'-P-C4' energy: -89.120 flat angles P-C4'-P energy: -50.064 tors. eta vs tors. theta energy: 26.876 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: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -2418.702194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.702194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.702194 (E_RNA) where: Base-Base interactions energy: -1712.588 where: short stacking energy: -703.845 Base-Backbone interact. energy: -0.661 local terms energy: -705.453155 where: bonds (distance) C4'-P energy: -120.714 bonds (distance) P-C4' energy: -143.499 flat angles C4'-P-C4' energy: -131.368 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -209.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2266.412127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.412127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.412127 (E_RNA) where: Base-Base interactions energy: -1562.829 where: short stacking energy: -693.655 Base-Backbone interact. energy: -2.481 local terms energy: -701.102321 where: bonds (distance) C4'-P energy: -133.579 bonds (distance) P-C4' energy: -132.041 flat angles C4'-P-C4' energy: -139.849 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -200.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2246.858628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.858628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.858628 (E_RNA) where: Base-Base interactions energy: -1566.191 where: short stacking energy: -665.530 Base-Backbone interact. energy: -2.386 local terms energy: -678.281929 where: bonds (distance) C4'-P energy: -120.414 bonds (distance) P-C4' energy: -124.263 flat angles C4'-P-C4' energy: -144.503 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -199.174 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: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2104.711756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.711756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.711756 (E_RNA) where: Base-Base interactions energy: -1415.558 where: short stacking energy: -617.951 Base-Backbone interact. energy: -3.929 local terms energy: -685.225487 where: bonds (distance) C4'-P energy: -127.832 bonds (distance) P-C4' energy: -124.886 flat angles C4'-P-C4' energy: -146.985 flat angles P-C4'-P energy: -99.131 tors. eta vs tors. theta energy: -186.392 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: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2004.096163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.096163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.096163 (E_RNA) where: Base-Base interactions energy: -1375.339 where: short stacking energy: -571.183 Base-Backbone interact. energy: 0.959 local terms energy: -629.716038 where: bonds (distance) C4'-P energy: -107.586 bonds (distance) P-C4' energy: -119.409 flat angles C4'-P-C4' energy: -144.496 flat angles P-C4'-P energy: -89.651 tors. eta vs tors. theta energy: -168.574 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: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1816.759051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.759051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.759051 (E_RNA) where: Base-Base interactions energy: -1243.354 where: short stacking energy: -539.682 Base-Backbone interact. energy: -3.312 local terms energy: -570.093224 where: bonds (distance) C4'-P energy: -115.887 bonds (distance) P-C4' energy: -113.890 flat angles C4'-P-C4' energy: -126.646 flat angles P-C4'-P energy: -76.390 tors. eta vs tors. theta energy: -137.280 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: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1552.555110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.555110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.555110 (E_RNA) where: Base-Base interactions energy: -1016.310 where: short stacking energy: -453.632 Base-Backbone interact. energy: -1.258 local terms energy: -534.987850 where: bonds (distance) C4'-P energy: -116.282 bonds (distance) P-C4' energy: -109.950 flat angles C4'-P-C4' energy: -123.497 flat angles P-C4'-P energy: -84.899 tors. eta vs tors. theta energy: -100.360 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: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1267.258638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.258638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.258638 (E_RNA) where: Base-Base interactions energy: -803.513 where: short stacking energy: -349.200 Base-Backbone interact. energy: -1.689 local terms energy: -462.055997 where: bonds (distance) C4'-P energy: -113.384 bonds (distance) P-C4' energy: -100.020 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -69.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -883.582358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.582358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.582358 (E_RNA) where: Base-Base interactions energy: -482.789 where: short stacking energy: -259.367 Base-Backbone interact. energy: -4.111 local terms energy: -396.682273 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -103.503 flat angles C4'-P-C4' energy: -94.627 flat angles P-C4'-P energy: -55.240 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: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -547.516965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.516965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.516965 (E_RNA) where: Base-Base interactions energy: -223.195 where: short stacking energy: -112.243 Base-Backbone interact. energy: 1.047 local terms energy: -325.368894 where: bonds (distance) C4'-P energy: -115.327 bonds (distance) P-C4' energy: -109.559 flat angles C4'-P-C4' energy: -88.496 flat angles P-C4'-P energy: -59.607 tors. eta vs tors. theta energy: 47.620 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: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2433.232958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.232958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.232958 (E_RNA) where: Base-Base interactions energy: -1705.690 where: short stacking energy: -688.687 Base-Backbone interact. energy: -2.300 local terms energy: -725.243397 where: bonds (distance) C4'-P energy: -138.214 bonds (distance) P-C4' energy: -130.142 flat angles C4'-P-C4' energy: -154.185 flat angles P-C4'-P energy: -103.427 tors. eta vs tors. theta energy: -199.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2320.754594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.754594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.754594 (E_RNA) where: Base-Base interactions energy: -1601.975 where: short stacking energy: -693.370 Base-Backbone interact. energy: -3.546 local terms energy: -715.233636 where: bonds (distance) C4'-P energy: -129.525 bonds (distance) P-C4' energy: -116.352 flat angles C4'-P-C4' energy: -150.261 flat angles P-C4'-P energy: -106.945 tors. eta vs tors. theta energy: -212.151 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: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2234.943202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.943202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.943202 (E_RNA) where: Base-Base interactions energy: -1530.921 where: short stacking energy: -669.212 Base-Backbone interact. energy: -3.084 local terms energy: -700.937812 where: bonds (distance) C4'-P energy: -121.796 bonds (distance) P-C4' energy: -122.248 flat angles C4'-P-C4' energy: -146.226 flat angles P-C4'-P energy: -105.464 tors. eta vs tors. theta energy: -205.204 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: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2111.406752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.406752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.406752 (E_RNA) where: Base-Base interactions energy: -1447.777 where: short stacking energy: -618.142 Base-Backbone interact. energy: -2.800 local terms energy: -660.830114 where: bonds (distance) C4'-P energy: -116.167 bonds (distance) P-C4' energy: -131.603 flat angles C4'-P-C4' energy: -140.870 flat angles P-C4'-P energy: -95.207 tors. eta vs tors. theta energy: -176.983 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: 5 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2031.299402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.299402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.299402 (E_RNA) where: Base-Base interactions energy: -1402.932 where: short stacking energy: -588.230 Base-Backbone interact. energy: -1.426 local terms energy: -626.941426 where: bonds (distance) C4'-P energy: -87.722 bonds (distance) P-C4' energy: -122.298 flat angles C4'-P-C4' energy: -136.581 flat angles P-C4'-P energy: -111.787 tors. eta vs tors. theta energy: -168.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1839.125222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.125222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.125222 (E_RNA) where: Base-Base interactions energy: -1244.567 where: short stacking energy: -541.680 Base-Backbone interact. energy: -0.696 local terms energy: -593.861790 where: bonds (distance) C4'-P energy: -117.324 bonds (distance) P-C4' energy: -114.030 flat angles C4'-P-C4' energy: -129.110 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -155.836 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1544.280100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.280100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.280100 (E_RNA) where: Base-Base interactions energy: -1023.805 where: short stacking energy: -447.753 Base-Backbone interact. energy: -1.863 local terms energy: -518.611868 where: bonds (distance) C4'-P energy: -119.296 bonds (distance) P-C4' energy: -116.617 flat angles C4'-P-C4' energy: -108.451 flat angles P-C4'-P energy: -64.098 tors. eta vs tors. theta energy: -110.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1310.500168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.500168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.500168 (E_RNA) where: Base-Base interactions energy: -808.322 where: short stacking energy: -377.622 Base-Backbone interact. energy: -0.667 local terms energy: -501.510241 where: bonds (distance) C4'-P energy: -107.690 bonds (distance) P-C4' energy: -123.204 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -62.727 tors. eta vs tors. theta energy: -72.011 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: 6 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -826.709394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.709394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.709394 (E_RNA) where: Base-Base interactions energy: -424.458 where: short stacking energy: -257.649 Base-Backbone interact. energy: -3.100 local terms energy: -399.151650 where: bonds (distance) C4'-P energy: -104.897 bonds (distance) P-C4' energy: -117.920 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -10.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -622.350678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.350678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.350678 (E_RNA) where: Base-Base interactions energy: -250.757 where: short stacking energy: -141.115 Base-Backbone interact. energy: 1.900 local terms energy: -373.493195 where: bonds (distance) C4'-P energy: -125.178 bonds (distance) P-C4' energy: -114.244 flat angles C4'-P-C4' energy: -101.050 flat angles P-C4'-P energy: -63.734 tors. eta vs tors. theta energy: 30.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2419.007446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.007446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.007446 (E_RNA) where: Base-Base interactions energy: -1704.142 where: short stacking energy: -702.147 Base-Backbone interact. energy: -4.609 local terms energy: -710.256542 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -133.090 flat angles C4'-P-C4' energy: -161.167 flat angles P-C4'-P energy: -102.097 tors. eta vs tors. theta energy: -201.360 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: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2349.561150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.561150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.561150 (E_RNA) where: Base-Base interactions energy: -1626.671 where: short stacking energy: -695.582 Base-Backbone interact. energy: -3.208 local terms energy: -719.681947 where: bonds (distance) C4'-P energy: -132.765 bonds (distance) P-C4' energy: -137.061 flat angles C4'-P-C4' energy: -145.347 flat angles P-C4'-P energy: -92.366 tors. eta vs tors. theta energy: -212.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2231.488255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.488255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.488255 (E_RNA) where: Base-Base interactions energy: -1551.371 where: short stacking energy: -681.504 Base-Backbone interact. energy: -1.045 local terms energy: -679.072161 where: bonds (distance) C4'-P energy: -116.496 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -136.841 flat angles P-C4'-P energy: -100.966 tors. eta vs tors. theta energy: -202.271 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: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2092.478400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.478400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.478400 (E_RNA) where: Base-Base interactions energy: -1428.024 where: short stacking energy: -597.871 Base-Backbone interact. energy: -3.654 local terms energy: -660.800683 where: bonds (distance) C4'-P energy: -113.385 bonds (distance) P-C4' energy: -124.680 flat angles C4'-P-C4' energy: -148.310 flat angles P-C4'-P energy: -94.180 tors. eta vs tors. theta energy: -180.246 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: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2000.010933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.010933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.010933 (E_RNA) where: Base-Base interactions energy: -1366.637 where: short stacking energy: -553.697 Base-Backbone interact. energy: -3.304 local terms energy: -630.069288 where: bonds (distance) C4'-P energy: -126.940 bonds (distance) P-C4' energy: -110.347 flat angles C4'-P-C4' energy: -134.926 flat angles P-C4'-P energy: -84.497 tors. eta vs tors. theta energy: -173.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1875.911432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.911432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.911432 (E_RNA) where: Base-Base interactions energy: -1278.206 where: short stacking energy: -541.094 Base-Backbone interact. energy: -1.188 local terms energy: -596.517477 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -118.720 flat angles C4'-P-C4' energy: -128.491 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -152.908 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: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1498.363836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.363836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.363836 (E_RNA) where: Base-Base interactions energy: -959.812 where: short stacking energy: -443.109 Base-Backbone interact. energy: 0.241 local terms energy: -538.792669 where: bonds (distance) C4'-P energy: -111.485 bonds (distance) P-C4' energy: -109.906 flat angles C4'-P-C4' energy: -120.717 flat angles P-C4'-P energy: -87.500 tors. eta vs tors. theta energy: -109.185 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: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1200.175122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.175122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.175122 (E_RNA) where: Base-Base interactions energy: -757.930 where: short stacking energy: -348.536 Base-Backbone interact. energy: -0.235 local terms energy: -442.010501 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -89.267 flat angles C4'-P-C4' energy: -96.957 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -82.812 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: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -867.597076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.597076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.597076 (E_RNA) where: Base-Base interactions energy: -448.477 where: short stacking energy: -233.965 Base-Backbone interact. energy: 1.543 local terms energy: -420.662978 where: bonds (distance) C4'-P energy: -109.747 bonds (distance) P-C4' energy: -112.281 flat angles C4'-P-C4' energy: -104.715 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -23.137 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -603.850179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.850179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.850179 (E_RNA) where: Base-Base interactions energy: -253.481 where: short stacking energy: -165.631 Base-Backbone interact. energy: -0.051 local terms energy: -350.317957 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -107.942 flat angles C4'-P-C4' energy: -80.877 flat angles P-C4'-P energy: -58.976 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2421.246734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.246734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.246734 (E_RNA) where: Base-Base interactions energy: -1687.734 where: short stacking energy: -695.456 Base-Backbone interact. energy: -4.046 local terms energy: -729.466729 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -127.953 flat angles C4'-P-C4' energy: -160.082 flat angles P-C4'-P energy: -102.189 tors. eta vs tors. theta energy: -203.309 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: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2327.226565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.226565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.226565 (E_RNA) where: Base-Base interactions energy: -1608.185 where: short stacking energy: -674.397 Base-Backbone interact. energy: 0.958 local terms energy: -719.999310 where: bonds (distance) C4'-P energy: -139.119 bonds (distance) P-C4' energy: -118.189 flat angles C4'-P-C4' energy: -158.740 flat angles P-C4'-P energy: -100.692 tors. eta vs tors. theta energy: -203.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2259.850895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.850895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.850895 (E_RNA) where: Base-Base interactions energy: -1550.177 where: short stacking energy: -666.333 Base-Backbone interact. energy: 0.999 local terms energy: -710.672213 where: bonds (distance) C4'-P energy: -129.915 bonds (distance) P-C4' energy: -138.434 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -94.384 tors. eta vs tors. theta energy: -198.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2162.252940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.252940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.252940 (E_RNA) where: Base-Base interactions energy: -1472.337 where: short stacking energy: -630.667 Base-Backbone interact. energy: -2.558 local terms energy: -687.357985 where: bonds (distance) C4'-P energy: -128.413 bonds (distance) P-C4' energy: -131.934 flat angles C4'-P-C4' energy: -142.535 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -196.491 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: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2021.799184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.799184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.799184 (E_RNA) where: Base-Base interactions energy: -1361.677 where: short stacking energy: -591.841 Base-Backbone interact. energy: -1.326 local terms energy: -658.795965 where: bonds (distance) C4'-P energy: -105.793 bonds (distance) P-C4' energy: -124.660 flat angles C4'-P-C4' energy: -154.459 flat angles P-C4'-P energy: -93.508 tors. eta vs tors. theta energy: -180.376 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: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1807.781034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.781034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.781034 (E_RNA) where: Base-Base interactions energy: -1205.248 where: short stacking energy: -511.206 Base-Backbone interact. energy: -2.821 local terms energy: -599.711442 where: bonds (distance) C4'-P energy: -125.431 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -129.663 flat angles P-C4'-P energy: -81.684 tors. eta vs tors. theta energy: -135.360 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: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1544.376659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.376659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.376659 (E_RNA) where: Base-Base interactions energy: -992.325 where: short stacking energy: -450.177 Base-Backbone interact. energy: 0.260 local terms energy: -552.311547 where: bonds (distance) C4'-P energy: -115.150 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -131.835 flat angles P-C4'-P energy: -74.713 tors. eta vs tors. theta energy: -118.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1216.946696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.946696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.946696 (E_RNA) where: Base-Base interactions energy: -760.911 where: short stacking energy: -369.456 Base-Backbone interact. energy: -2.924 local terms energy: -453.112603 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -97.194 flat angles C4'-P-C4' energy: -104.598 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -74.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -866.522880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.522880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.522880 (E_RNA) where: Base-Base interactions energy: -452.386 where: short stacking energy: -227.890 Base-Backbone interact. energy: -4.176 local terms energy: -409.961166 where: bonds (distance) C4'-P energy: -97.260 bonds (distance) P-C4' energy: -125.309 flat angles C4'-P-C4' energy: -108.246 flat angles P-C4'-P energy: -71.483 tors. eta vs tors. theta energy: -7.663 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: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -531.506573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.506573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.506573 (E_RNA) where: Base-Base interactions energy: -196.065 where: short stacking energy: -158.196 Base-Backbone interact. energy: 6.262 local terms energy: -341.703242 where: bonds (distance) C4'-P energy: -117.493 bonds (distance) P-C4' energy: -101.298 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: 28.027 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: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2439.773985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.773985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.773985 (E_RNA) where: Base-Base interactions energy: -1719.635 where: short stacking energy: -701.727 Base-Backbone interact. energy: -3.903 local terms energy: -716.236753 where: bonds (distance) C4'-P energy: -132.453 bonds (distance) P-C4' energy: -131.490 flat angles C4'-P-C4' energy: -149.208 flat angles P-C4'-P energy: -99.839 tors. eta vs tors. theta energy: -203.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2303.832620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.832620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.832620 (E_RNA) where: Base-Base interactions energy: -1570.587 where: short stacking energy: -666.066 Base-Backbone interact. energy: -4.233 local terms energy: -729.012617 where: bonds (distance) C4'-P energy: -133.823 bonds (distance) P-C4' energy: -128.252 flat angles C4'-P-C4' energy: -151.867 flat angles P-C4'-P energy: -98.958 tors. eta vs tors. theta energy: -216.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2255.424221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.424221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.424221 (E_RNA) where: Base-Base interactions energy: -1551.774 where: short stacking energy: -656.644 Base-Backbone interact. energy: 0.687 local terms energy: -704.337429 where: bonds (distance) C4'-P energy: -136.438 bonds (distance) P-C4' energy: -138.335 flat angles C4'-P-C4' energy: -133.287 flat angles P-C4'-P energy: -102.447 tors. eta vs tors. theta energy: -193.829 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2051.950597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.950597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.950597 (E_RNA) where: Base-Base interactions energy: -1415.523 where: short stacking energy: -615.748 Base-Backbone interact. energy: -2.721 local terms energy: -633.706427 where: bonds (distance) C4'-P energy: -119.322 bonds (distance) P-C4' energy: -110.955 flat angles C4'-P-C4' energy: -138.008 flat angles P-C4'-P energy: -93.709 tors. eta vs tors. theta energy: -171.713 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: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1998.146399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.146399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.146399 (E_RNA) where: Base-Base interactions energy: -1361.489 where: short stacking energy: -558.145 Base-Backbone interact. energy: -1.645 local terms energy: -635.013315 where: bonds (distance) C4'-P energy: -112.940 bonds (distance) P-C4' energy: -120.914 flat angles C4'-P-C4' energy: -149.338 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -150.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1857.324739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.324739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.324739 (E_RNA) where: Base-Base interactions energy: -1240.876 where: short stacking energy: -524.660 Base-Backbone interact. energy: -4.316 local terms energy: -612.132945 where: bonds (distance) C4'-P energy: -131.657 bonds (distance) P-C4' energy: -128.560 flat angles C4'-P-C4' energy: -124.763 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: -144.806 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: 494 Temperature: 1.200000 Total energy: -1494.427942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.427942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.427942 (E_RNA) where: Base-Base interactions energy: -969.122 where: short stacking energy: -440.719 Base-Backbone interact. energy: 0.416 local terms energy: -525.721542 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -93.486 flat angles C4'-P-C4' energy: -127.040 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -100.515 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: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1213.674437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.674437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.674437 (E_RNA) where: Base-Base interactions energy: -736.064 where: short stacking energy: -327.404 Base-Backbone interact. energy: 0.892 local terms energy: -478.502892 where: bonds (distance) C4'-P energy: -115.775 bonds (distance) P-C4' energy: -124.557 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -56.778 tors. eta vs tors. theta energy: -66.139 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: 6 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -887.233539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.233539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.233539 (E_RNA) where: Base-Base interactions energy: -469.442 where: short stacking energy: -248.040 Base-Backbone interact. energy: 1.122 local terms energy: -418.913847 where: bonds (distance) C4'-P energy: -116.838 bonds (distance) P-C4' energy: -103.548 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: -28.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -539.717154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.717154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.717154 (E_RNA) where: Base-Base interactions energy: -192.645 where: short stacking energy: -159.728 Base-Backbone interact. energy: -4.064 local terms energy: -343.008466 where: bonds (distance) C4'-P energy: -101.637 bonds (distance) P-C4' energy: -96.036 flat angles C4'-P-C4' energy: -101.304 flat angles P-C4'-P energy: -66.220 tors. eta vs tors. theta energy: 22.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2409.698493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.698493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.698493 (E_RNA) where: Base-Base interactions energy: -1705.004 where: short stacking energy: -695.920 Base-Backbone interact. energy: -2.433 local terms energy: -702.261374 where: bonds (distance) C4'-P energy: -112.493 bonds (distance) P-C4' energy: -135.748 flat angles C4'-P-C4' energy: -150.464 flat angles P-C4'-P energy: -102.257 tors. eta vs tors. theta energy: -201.300 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: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2322.623001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.623001 (E_RNA) where: Base-Base interactions energy: -1601.732 where: short stacking energy: -677.090 Base-Backbone interact. energy: 0.991 local terms energy: -721.881569 where: bonds (distance) C4'-P energy: -128.863 bonds (distance) P-C4' energy: -131.046 flat angles C4'-P-C4' energy: -138.622 flat angles P-C4'-P energy: -111.349 tors. eta vs tors. theta energy: -212.003 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: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2291.625351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.625351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.625351 (E_RNA) where: Base-Base interactions energy: -1582.908 where: short stacking energy: -682.769 Base-Backbone interact. energy: -2.744 local terms energy: -705.973039 where: bonds (distance) C4'-P energy: -114.273 bonds (distance) P-C4' energy: -132.172 flat angles C4'-P-C4' energy: -149.265 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -204.409 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: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2075.851123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.851123 (E_RNA) where: Base-Base interactions energy: -1411.047 where: short stacking energy: -622.957 Base-Backbone interact. energy: -0.178 local terms energy: -664.626164 where: bonds (distance) C4'-P energy: -111.910 bonds (distance) P-C4' energy: -119.521 flat angles C4'-P-C4' energy: -145.452 flat angles P-C4'-P energy: -104.139 tors. eta vs tors. theta energy: -183.605 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: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2029.273489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.273489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.273489 (E_RNA) where: Base-Base interactions energy: -1407.014 where: short stacking energy: -602.522 Base-Backbone interact. energy: -0.841 local terms energy: -621.418788 where: bonds (distance) C4'-P energy: -115.079 bonds (distance) P-C4' energy: -97.126 flat angles C4'-P-C4' energy: -128.004 flat angles P-C4'-P energy: -96.184 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: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1849.259275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.259275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.259275 (E_RNA) where: Base-Base interactions energy: -1282.126 where: short stacking energy: -540.143 Base-Backbone interact. energy: 0.097 local terms energy: -567.230475 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -114.118 flat angles C4'-P-C4' energy: -134.500 flat angles P-C4'-P energy: -75.006 tors. eta vs tors. theta energy: -137.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1477.185852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.185852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.185852 (E_RNA) where: Base-Base interactions energy: -979.925 where: short stacking energy: -435.994 Base-Backbone interact. energy: -1.821 local terms energy: -495.439304 where: bonds (distance) C4'-P energy: -118.083 bonds (distance) P-C4' energy: -109.437 flat angles C4'-P-C4' energy: -105.413 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -90.331 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: 8, replica: 3 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1123.581300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.581300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.581300 (E_RNA) where: Base-Base interactions energy: -686.439 where: short stacking energy: -306.127 Base-Backbone interact. energy: 0.747 local terms energy: -437.889315 where: bonds (distance) C4'-P energy: -118.458 bonds (distance) P-C4' energy: -133.978 flat angles C4'-P-C4' energy: -90.709 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -39.211 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: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -820.977194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.977194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.977194 (E_RNA) where: Base-Base interactions energy: -431.570 where: short stacking energy: -214.054 Base-Backbone interact. energy: -4.867 local terms energy: -384.540381 where: bonds (distance) C4'-P energy: -86.781 bonds (distance) P-C4' energy: -122.992 flat angles C4'-P-C4' energy: -108.461 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: 0.272 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: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -520.703718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.703718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.703718 (E_RNA) where: Base-Base interactions energy: -193.622 where: short stacking energy: -153.878 Base-Backbone interact. energy: -1.884 local terms energy: -325.197284 where: bonds (distance) C4'-P energy: -105.503 bonds (distance) P-C4' energy: -116.272 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: 26.447 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: 1, replica: 7 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2453.983715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.983715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.983715 (E_RNA) where: Base-Base interactions energy: -1710.430 where: short stacking energy: -711.278 Base-Backbone interact. energy: -1.156 local terms energy: -742.398363 where: bonds (distance) C4'-P energy: -128.412 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -105.217 tors. eta vs tors. theta energy: -215.764 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: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2315.162163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.162163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.162163 (E_RNA) where: Base-Base interactions energy: -1594.559 where: short stacking energy: -670.910 Base-Backbone interact. energy: -2.709 local terms energy: -717.894473 where: bonds (distance) C4'-P energy: -122.838 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -144.883 flat angles P-C4'-P energy: -106.053 tors. eta vs tors. theta energy: -204.727 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: 3, replica: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2255.504178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.504178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.504178 (E_RNA) where: Base-Base interactions energy: -1580.849 where: short stacking energy: -680.973 Base-Backbone interact. energy: -1.556 local terms energy: -673.099280 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -114.306 flat angles C4'-P-C4' energy: -152.083 flat angles P-C4'-P energy: -98.591 tors. eta vs tors. theta energy: -201.765 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: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2031.208441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.208441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.208441 (E_RNA) where: Base-Base interactions energy: -1365.796 where: short stacking energy: -603.911 Base-Backbone interact. energy: -1.491 local terms energy: -663.920690 where: bonds (distance) C4'-P energy: -116.532 bonds (distance) P-C4' energy: -134.533 flat angles C4'-P-C4' energy: -140.394 flat angles P-C4'-P energy: -93.741 tors. eta vs tors. theta energy: -178.721 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: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2030.410371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.410371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.410371 (E_RNA) where: Base-Base interactions energy: -1398.513 where: short stacking energy: -595.367 Base-Backbone interact. energy: -0.664 local terms energy: -631.233338 where: bonds (distance) C4'-P energy: -119.163 bonds (distance) P-C4' energy: -125.406 flat angles C4'-P-C4' energy: -135.852 flat angles P-C4'-P energy: -79.801 tors. eta vs tors. theta energy: -171.011 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: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1809.671182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.671182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.671182 (E_RNA) where: Base-Base interactions energy: -1229.058 where: short stacking energy: -495.824 Base-Backbone interact. energy: -2.000 local terms energy: -578.612669 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -119.702 flat angles C4'-P-C4' energy: -131.650 flat angles P-C4'-P energy: -88.795 tors. eta vs tors. theta energy: -131.216 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: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1507.340990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.340990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.340990 (E_RNA) where: Base-Base interactions energy: -959.740 where: short stacking energy: -426.761 Base-Backbone interact. energy: -3.108 local terms energy: -544.492502 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -105.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1176.520592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.520592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.520592 (E_RNA) where: Base-Base interactions energy: -718.441 where: short stacking energy: -331.982 Base-Backbone interact. energy: 1.171 local terms energy: -459.250698 where: bonds (distance) C4'-P energy: -110.266 bonds (distance) P-C4' energy: -107.845 flat angles C4'-P-C4' energy: -120.618 flat angles P-C4'-P energy: -67.438 tors. eta vs tors. theta energy: -53.083 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: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -932.285860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.285860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.285860 (E_RNA) where: Base-Base interactions energy: -531.487 where: short stacking energy: -300.421 Base-Backbone interact. energy: 2.476 local terms energy: -403.274829 where: bonds (distance) C4'-P energy: -106.500 bonds (distance) P-C4' energy: -97.828 flat angles C4'-P-C4' energy: -97.710 flat angles P-C4'-P energy: -56.735 tors. eta vs tors. theta energy: -44.502 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: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -473.275547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.275547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.275547 (E_RNA) where: Base-Base interactions energy: -157.799 where: short stacking energy: -140.584 Base-Backbone interact. energy: 7.036 local terms energy: -322.513447 where: bonds (distance) C4'-P energy: -85.228 bonds (distance) P-C4' energy: -110.717 flat angles C4'-P-C4' energy: -97.509 flat angles P-C4'-P energy: -42.671 tors. eta vs tors. theta energy: 13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2443.176604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.176604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.176604 (E_RNA) where: Base-Base interactions energy: -1705.648 where: short stacking energy: -694.584 Base-Backbone interact. energy: -2.966 local terms energy: -734.562672 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -141.215 flat angles C4'-P-C4' energy: -159.932 flat angles P-C4'-P energy: -109.385 tors. eta vs tors. theta energy: -206.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2340.000445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.000445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.000445 (E_RNA) where: Base-Base interactions energy: -1643.046 where: short stacking energy: -688.526 Base-Backbone interact. energy: -2.725 local terms energy: -694.229288 where: bonds (distance) C4'-P energy: -105.696 bonds (distance) P-C4' energy: -135.656 flat angles C4'-P-C4' energy: -141.897 flat angles P-C4'-P energy: -101.682 tors. eta vs tors. theta energy: -209.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2282.212341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.212341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.212341 (E_RNA) where: Base-Base interactions energy: -1573.468 where: short stacking energy: -673.762 Base-Backbone interact. energy: -3.048 local terms energy: -705.696346 where: bonds (distance) C4'-P energy: -111.248 bonds (distance) P-C4' energy: -138.483 flat angles C4'-P-C4' energy: -146.885 flat angles P-C4'-P energy: -96.548 tors. eta vs tors. theta energy: -212.533 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: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2105.719287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.719287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.719287 (E_RNA) where: Base-Base interactions energy: -1451.567 where: short stacking energy: -624.755 Base-Backbone interact. energy: -0.222 local terms energy: -653.930305 where: bonds (distance) C4'-P energy: -121.251 bonds (distance) P-C4' energy: -118.057 flat angles C4'-P-C4' energy: -133.712 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -190.357 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: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1985.998189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.998189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.998189 (E_RNA) where: Base-Base interactions energy: -1359.656 where: short stacking energy: -592.223 Base-Backbone interact. energy: 0.645 local terms energy: -626.987322 where: bonds (distance) C4'-P energy: -121.378 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -135.444 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -169.278 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: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1814.657169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.657169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.657169 (E_RNA) where: Base-Base interactions energy: -1223.418 where: short stacking energy: -522.722 Base-Backbone interact. energy: 1.749 local terms energy: -592.987419 where: bonds (distance) C4'-P energy: -105.015 bonds (distance) P-C4' energy: -129.100 flat angles C4'-P-C4' energy: -129.643 flat angles P-C4'-P energy: -93.981 tors. eta vs tors. theta energy: -135.248 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: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1459.337241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.337241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.337241 (E_RNA) where: Base-Base interactions energy: -966.197 where: short stacking energy: -427.652 Base-Backbone interact. energy: -0.608 local terms energy: -492.532016 where: bonds (distance) C4'-P energy: -95.445 bonds (distance) P-C4' energy: -105.424 flat angles C4'-P-C4' energy: -109.574 flat angles P-C4'-P energy: -82.265 tors. eta vs tors. theta energy: -99.824 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: 8, replica: 3 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1138.543548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.543548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.543548 (E_RNA) where: Base-Base interactions energy: -690.559 where: short stacking energy: -289.888 Base-Backbone interact. energy: -3.019 local terms energy: -444.966234 where: bonds (distance) C4'-P energy: -114.349 bonds (distance) P-C4' energy: -132.799 flat angles C4'-P-C4' energy: -102.540 flat angles P-C4'-P energy: -59.761 tors. eta vs tors. theta energy: -35.517 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: 9, replica: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1012.609234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.609234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.609234 (E_RNA) where: Base-Base interactions energy: -593.809 where: short stacking energy: -274.710 Base-Backbone interact. energy: -0.735 local terms energy: -418.064934 where: bonds (distance) C4'-P energy: -114.680 bonds (distance) P-C4' energy: -107.470 flat angles C4'-P-C4' energy: -87.241 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -49.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -491.718093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.718093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.718093 (E_RNA) where: Base-Base interactions energy: -198.322 where: short stacking energy: -171.011 Base-Backbone interact. energy: 2.619 local terms energy: -296.014273 where: bonds (distance) C4'-P energy: -115.038 bonds (distance) P-C4' energy: -84.476 flat angles C4'-P-C4' energy: -81.512 flat angles P-C4'-P energy: -48.128 tors. eta vs tors. theta energy: 33.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2404.833897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.833897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.833897 (E_RNA) where: Base-Base interactions energy: -1697.733 where: short stacking energy: -692.902 Base-Backbone interact. energy: -1.400 local terms energy: -705.700653 where: bonds (distance) C4'-P energy: -125.883 bonds (distance) P-C4' energy: -127.258 flat angles C4'-P-C4' energy: -149.891 flat angles P-C4'-P energy: -103.944 tors. eta vs tors. theta energy: -198.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2294.220914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.220914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.220914 (E_RNA) where: Base-Base interactions energy: -1612.233 where: short stacking energy: -677.228 Base-Backbone interact. energy: -2.026 local terms energy: -679.962120 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -122.981 flat angles C4'-P-C4' energy: -149.321 flat angles P-C4'-P energy: -91.693 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: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2220.561202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.561202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.561202 (E_RNA) where: Base-Base interactions energy: -1515.241 where: short stacking energy: -682.594 Base-Backbone interact. energy: 2.595 local terms energy: -707.914796 where: bonds (distance) C4'-P energy: -123.270 bonds (distance) P-C4' energy: -133.074 flat angles C4'-P-C4' energy: -144.498 flat angles P-C4'-P energy: -97.286 tors. eta vs tors. theta energy: -209.787 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: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2097.476901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.476901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.476901 (E_RNA) where: Base-Base interactions energy: -1425.141 where: short stacking energy: -621.067 Base-Backbone interact. energy: -0.085 local terms energy: -672.250216 where: bonds (distance) C4'-P energy: -115.250 bonds (distance) P-C4' energy: -139.429 flat angles C4'-P-C4' energy: -153.761 flat angles P-C4'-P energy: -90.019 tors. eta vs tors. theta energy: -173.791 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: 5, replica: 8 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2033.636865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.636865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.636865 (E_RNA) where: Base-Base interactions energy: -1378.960 where: short stacking energy: -564.304 Base-Backbone interact. energy: -1.810 local terms energy: -652.867111 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -121.118 flat angles C4'-P-C4' energy: -140.927 flat angles P-C4'-P energy: -97.850 tors. eta vs tors. theta energy: -171.675 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: 6, replica: 10 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1850.982737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.982737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.982737 (E_RNA) where: Base-Base interactions energy: -1270.413 where: short stacking energy: -545.051 Base-Backbone interact. energy: 0.729 local terms energy: -581.298350 where: bonds (distance) C4'-P energy: -115.994 bonds (distance) P-C4' energy: -107.716 flat angles C4'-P-C4' energy: -132.756 flat angles P-C4'-P energy: -64.280 tors. eta vs tors. theta energy: -160.552 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: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1470.835235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.835235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.835235 (E_RNA) where: Base-Base interactions energy: -932.666 where: short stacking energy: -450.081 Base-Backbone interact. energy: 1.111 local terms energy: -539.280868 where: bonds (distance) C4'-P energy: -110.028 bonds (distance) P-C4' energy: -112.510 flat angles C4'-P-C4' energy: -125.792 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -110.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1213.464787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.464787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.464787 (E_RNA) where: Base-Base interactions energy: -773.109 where: short stacking energy: -330.995 Base-Backbone interact. energy: -1.036 local terms energy: -439.319316 where: bonds (distance) C4'-P energy: -103.754 bonds (distance) P-C4' energy: -114.740 flat angles C4'-P-C4' energy: -118.744 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -49.713 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: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -989.138341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.138341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.138341 (E_RNA) where: Base-Base interactions energy: -573.814 where: short stacking energy: -290.616 Base-Backbone interact. energy: -2.609 local terms energy: -412.715643 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -126.990 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -28.356 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: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -492.252320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.252320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.252320 (E_RNA) where: Base-Base interactions energy: -180.606 where: short stacking energy: -147.954 Base-Backbone interact. energy: -0.081 local terms energy: -311.565989 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -118.601 flat angles C4'-P-C4' energy: -91.670 flat angles P-C4'-P energy: -48.867 tors. eta vs tors. theta energy: 26.761 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: 1, replica: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2449.400431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.400431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.400431 (E_RNA) where: Base-Base interactions energy: -1720.332 where: short stacking energy: -717.605 Base-Backbone interact. energy: -4.646 local terms energy: -724.422960 where: bonds (distance) C4'-P energy: -130.326 bonds (distance) P-C4' energy: -130.687 flat angles C4'-P-C4' energy: -153.081 flat angles P-C4'-P energy: -110.113 tors. eta vs tors. theta energy: -200.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2287.633180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.633180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.633180 (E_RNA) where: Base-Base interactions energy: -1549.994 where: short stacking energy: -661.557 Base-Backbone interact. energy: -3.554 local terms energy: -734.084626 where: bonds (distance) C4'-P energy: -139.775 bonds (distance) P-C4' energy: -124.744 flat angles C4'-P-C4' energy: -159.260 flat angles P-C4'-P energy: -106.789 tors. eta vs tors. theta energy: -203.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2223.791991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.791991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.791991 (E_RNA) where: Base-Base interactions energy: -1542.824 where: short stacking energy: -663.674 Base-Backbone interact. energy: 0.442 local terms energy: -681.409653 where: bonds (distance) C4'-P energy: -120.792 bonds (distance) P-C4' energy: -118.471 flat angles C4'-P-C4' energy: -143.802 flat angles P-C4'-P energy: -97.509 tors. eta vs tors. theta energy: -200.835 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: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2073.407335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.407335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.407335 (E_RNA) where: Base-Base interactions energy: -1417.747 where: short stacking energy: -608.683 Base-Backbone interact. energy: 2.713 local terms energy: -658.373910 where: bonds (distance) C4'-P energy: -126.837 bonds (distance) P-C4' energy: -114.770 flat angles C4'-P-C4' energy: -149.020 flat angles P-C4'-P energy: -95.349 tors. eta vs tors. theta energy: -172.398 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: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2001.977261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.977261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.977261 (E_RNA) where: Base-Base interactions energy: -1412.354 where: short stacking energy: -579.793 Base-Backbone interact. energy: 2.232 local terms energy: -591.855287 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -119.455 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -74.734 tors. eta vs tors. theta energy: -169.003 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: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1876.398540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.398540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.398540 (E_RNA) where: Base-Base interactions energy: -1260.446 where: short stacking energy: -549.863 Base-Backbone interact. energy: -1.733 local terms energy: -614.219222 where: bonds (distance) C4'-P energy: -112.381 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -140.685 flat angles P-C4'-P energy: -85.161 tors. eta vs tors. theta energy: -157.142 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: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1476.663869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.663869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.663869 (E_RNA) where: Base-Base interactions energy: -927.567 where: short stacking energy: -430.260 Base-Backbone interact. energy: 0.177 local terms energy: -549.273035 where: bonds (distance) C4'-P energy: -134.999 bonds (distance) P-C4' energy: -103.077 flat angles C4'-P-C4' energy: -131.227 flat angles P-C4'-P energy: -85.075 tors. eta vs tors. theta energy: -94.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1234.313023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.313023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.313023 (E_RNA) where: Base-Base interactions energy: -787.754 where: short stacking energy: -332.357 Base-Backbone interact. energy: 0.136 local terms energy: -446.694317 where: bonds (distance) C4'-P energy: -98.878 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -104.711 flat angles P-C4'-P energy: -63.358 tors. eta vs tors. theta energy: -56.499 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: 6 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -973.910640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.910640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.910640 (E_RNA) where: Base-Base interactions energy: -567.064 where: short stacking energy: -280.367 Base-Backbone interact. energy: -1.338 local terms energy: -405.508768 where: bonds (distance) C4'-P energy: -101.102 bonds (distance) P-C4' energy: -127.286 flat angles C4'-P-C4' energy: -106.722 flat angles P-C4'-P energy: -47.129 tors. eta vs tors. theta energy: -23.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -543.190561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.190561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.190561 (E_RNA) where: Base-Base interactions energy: -188.621 where: short stacking energy: -148.585 Base-Backbone interact. energy: -2.931 local terms energy: -351.638659 where: bonds (distance) C4'-P energy: -94.903 bonds (distance) P-C4' energy: -130.276 flat angles C4'-P-C4' energy: -97.375 flat angles P-C4'-P energy: -67.320 tors. eta vs tors. theta energy: 38.236 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: 1, replica: 7 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2454.739850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.739850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.739850 (E_RNA) where: Base-Base interactions energy: -1729.567 where: short stacking energy: -697.999 Base-Backbone interact. energy: -1.777 local terms energy: -723.395414 where: bonds (distance) C4'-P energy: -133.861 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -154.041 flat angles P-C4'-P energy: -94.589 tors. eta vs tors. theta energy: -200.956 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: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2283.577044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.577044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.577044 (E_RNA) where: Base-Base interactions energy: -1549.171 where: short stacking energy: -684.672 Base-Backbone interact. energy: -1.613 local terms energy: -732.793480 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -155.885 flat angles P-C4'-P energy: -102.292 tors. eta vs tors. theta energy: -220.183 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: 3, replica: 1 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2230.723580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.723580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.723580 (E_RNA) where: Base-Base interactions energy: -1536.819 where: short stacking energy: -690.314 Base-Backbone interact. energy: -2.703 local terms energy: -691.200975 where: bonds (distance) C4'-P energy: -122.067 bonds (distance) P-C4' energy: -126.160 flat angles C4'-P-C4' energy: -145.225 flat angles P-C4'-P energy: -93.815 tors. eta vs tors. theta energy: -203.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2130.190808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.190808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.190808 (E_RNA) where: Base-Base interactions energy: -1444.212 where: short stacking energy: -625.102 Base-Backbone interact. energy: -2.234 local terms energy: -683.745330 where: bonds (distance) C4'-P energy: -123.869 bonds (distance) P-C4' energy: -126.589 flat angles C4'-P-C4' energy: -134.266 flat angles P-C4'-P energy: -102.118 tors. eta vs tors. theta energy: -196.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1933.338006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.338006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.338006 (E_RNA) where: Base-Base interactions energy: -1293.637 where: short stacking energy: -513.145 Base-Backbone interact. energy: -3.932 local terms energy: -635.769108 where: bonds (distance) C4'-P energy: -117.883 bonds (distance) P-C4' energy: -129.354 flat angles C4'-P-C4' energy: -138.246 flat angles P-C4'-P energy: -93.596 tors. eta vs tors. theta energy: -156.690 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: 500 Temperature: 1.150000 Total energy: -1925.286939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.286939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.286939 (E_RNA) where: Base-Base interactions energy: -1307.843 where: short stacking energy: -546.029 Base-Backbone interact. energy: -2.959 local terms energy: -614.484678 where: bonds (distance) C4'-P energy: -107.184 bonds (distance) P-C4' energy: -126.016 flat angles C4'-P-C4' energy: -138.290 flat angles P-C4'-P energy: -73.560 tors. eta vs tors. theta energy: -169.435 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: 500 Temperature: 1.200000 Total energy: -1458.826572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.826572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.826572 (E_RNA) where: Base-Base interactions energy: -919.252 where: short stacking energy: -431.998 Base-Backbone interact. energy: 1.945 local terms energy: -541.519192 where: bonds (distance) C4'-P energy: -109.219 bonds (distance) P-C4' energy: -130.466 flat angles C4'-P-C4' energy: -114.472 flat angles P-C4'-P energy: -83.607 tors. eta vs tors. theta energy: -103.756 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: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1173.936512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.936512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.936512 (E_RNA) where: Base-Base interactions energy: -681.049 where: short stacking energy: -325.425 Base-Backbone interact. energy: -1.225 local terms energy: -491.662457 where: bonds (distance) C4'-P energy: -104.622 bonds (distance) P-C4' energy: -129.971 flat angles C4'-P-C4' energy: -106.493 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -62.573 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: 9, replica: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -979.086733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.086733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.086733 (E_RNA) where: Base-Base interactions energy: -543.369 where: short stacking energy: -276.122 Base-Backbone interact. energy: 6.242 local terms energy: -441.959596 where: bonds (distance) C4'-P energy: -103.655 bonds (distance) P-C4' energy: -119.228 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -43.042 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: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -514.030117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.030117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.030117 (E_RNA) where: Base-Base interactions energy: -182.992 where: short stacking energy: -147.022 Base-Backbone interact. energy: -1.478 local terms energy: -329.559903 where: bonds (distance) C4'-P energy: -77.188 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: 36.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2443.372296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.372296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.372296 (E_RNA) where: Base-Base interactions energy: -1711.449 where: short stacking energy: -696.561 Base-Backbone interact. energy: -2.344 local terms energy: -729.579701 where: bonds (distance) C4'-P energy: -124.622 bonds (distance) P-C4' energy: -138.657 flat angles C4'-P-C4' energy: -156.837 flat angles P-C4'-P energy: -104.277 tors. eta vs tors. theta energy: -205.188 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: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2318.632164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.632164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.632164 (E_RNA) where: Base-Base interactions energy: -1563.089 where: short stacking energy: -691.419 Base-Backbone interact. energy: -3.312 local terms energy: -752.231352 where: bonds (distance) C4'-P energy: -132.630 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -157.797 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -218.893 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: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2214.776309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.776309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.776309 (E_RNA) where: Base-Base interactions energy: -1523.241 where: short stacking energy: -651.226 Base-Backbone interact. energy: -4.530 local terms energy: -687.005553 where: bonds (distance) C4'-P energy: -121.289 bonds (distance) P-C4' energy: -126.521 flat angles C4'-P-C4' energy: -145.468 flat angles P-C4'-P energy: -112.041 tors. eta vs tors. theta energy: -181.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2146.502316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.502316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.502316 (E_RNA) where: Base-Base interactions energy: -1469.480 where: short stacking energy: -621.039 Base-Backbone interact. energy: -1.257 local terms energy: -675.765954 where: bonds (distance) C4'-P energy: -126.500 bonds (distance) P-C4' energy: -135.590 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -100.292 tors. eta vs tors. theta energy: -175.039 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: 501 Temperature: 1.100000 Total energy: -1929.320809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.320809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.320809 (E_RNA) where: Base-Base interactions energy: -1318.316 where: short stacking energy: -567.919 Base-Backbone interact. energy: -3.053 local terms energy: -607.952441 where: bonds (distance) C4'-P energy: -113.447 bonds (distance) P-C4' energy: -130.041 flat angles C4'-P-C4' energy: -134.611 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -160.473 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: 6, replica: 8 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1910.526366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.526366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.526366 (E_RNA) where: Base-Base interactions energy: -1286.722 where: short stacking energy: -566.337 Base-Backbone interact. energy: -2.137 local terms energy: -621.667570 where: bonds (distance) C4'-P energy: -107.737 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -125.016 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -167.302 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: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1499.012179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.012179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.012179 (E_RNA) where: Base-Base interactions energy: -965.097 where: short stacking energy: -448.864 Base-Backbone interact. energy: -1.795 local terms energy: -532.119483 where: bonds (distance) C4'-P energy: -106.751 bonds (distance) P-C4' energy: -113.405 flat angles C4'-P-C4' energy: -119.991 flat angles P-C4'-P energy: -88.992 tors. eta vs tors. theta energy: -102.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1176.401785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.401785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.401785 (E_RNA) where: Base-Base interactions energy: -721.586 where: short stacking energy: -326.097 Base-Backbone interact. energy: -0.189 local terms energy: -454.626828 where: bonds (distance) C4'-P energy: -111.473 bonds (distance) P-C4' energy: -122.877 flat angles C4'-P-C4' energy: -95.696 flat angles P-C4'-P energy: -60.716 tors. eta vs tors. theta energy: -63.865 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: 6 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -914.188072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.188072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.188072 (E_RNA) where: Base-Base interactions energy: -511.485 where: short stacking energy: -275.514 Base-Backbone interact. energy: 0.632 local terms energy: -403.334115 where: bonds (distance) C4'-P energy: -119.468 bonds (distance) P-C4' energy: -115.743 flat angles C4'-P-C4' energy: -76.045 flat angles P-C4'-P energy: -71.940 tors. eta vs tors. theta energy: -20.139 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: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -513.807138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.807138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.807138 (E_RNA) where: Base-Base interactions energy: -183.971 where: short stacking energy: -162.602 Base-Backbone interact. energy: 3.741 local terms energy: -333.577040 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -102.218 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: 14.902 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) replica 7 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 121945741 moves confirmed later: 136710780 all moves confirmed: 258656521 percent of confirmed moves: 32.332065 current total energy: -2296.702416 recalc. total energy: -2296.702416 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 139001312 moves confirmed later: 157805117 all moves confirmed: 296806429 percent of confirmed moves: 37.100804 current total energy: -2157.216802 recalc. total energy: -2157.216802 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 119841997 moves confirmed later: 133166367 all moves confirmed: 253008364 percent of confirmed moves: 31.626046 current total energy: -2130.174164 recalc. total energy: -2130.174164 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 120151237 moves confirmed later: 133609346 all moves confirmed: 253760583 percent of confirmed moves: 31.720073 current total energy: -1885.663023 recalc. total energy: -1885.663023 replica 10 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 120697656 moves confirmed later: 134585867 all moves confirmed: 255283523 percent of confirmed moves: 31.910440 current total energy: -1866.472563 recalc. total energy: -1866.472563 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 130393135 moves confirmed later: 146848549 all moves confirmed: 277241684 percent of confirmed moves: 34.655211 current total energy: -1819.687248 recalc. total energy: -1819.687248 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 217673305 moves confirmed later: 260412011 all moves confirmed: 478085316 percent of confirmed moves: 59.760664 current total energy: -1425.050369 recalc. total energy: -1425.050369 replica 3 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 136110514 moves confirmed later: 153498636 all moves confirmed: 289609150 percent of confirmed moves: 36.201144 current total energy: -1015.429253 recalc. total energy: -1015.429253 replica 6 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 220509679 moves confirmed later: 264238027 all moves confirmed: 484747706 percent of confirmed moves: 60.593463 current total energy: -852.892267 recalc. total energy: -852.892267 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 217036724 moves confirmed later: 259463400 all moves confirmed: 476500124 percent of confirmed moves: 59.562516 current total energy: -395.277638 recalc. total energy: -395.277638 out arg RESULTS//1/SNORD3C-8a4b9e13_01 Time of doing 8000000 iterations: 37374.872 seconds