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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/HH-tRNA-HDV_Construc-9ec765ab/inputs/seq.fa: 1 curr_seq: _UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UCUAAUACGACUCACUAUAGGGAGACCCCCUGAUGAGUCCGUGAGGACGAAACGGUACCCGGUACCGUCGGGGCUAUAGCUCAGCUGGGAGAGCGCUUGCAUGGCAUGCAAGAGGUCAGCGGUUCGAUCCCGCUUAGCUCCACCAGGGCGGCAUGGUCCCAGCCUCCUCGCUGGCGCCGCCUGGGCAACAUGGCUUCAUGGCGAAUGGGACC 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 212 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: 1065 n_atoms_counter: 1065 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 212.000000 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: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 1 Temperature: 1.150000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -868.867035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.867035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.867035 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -43.739 Base-Backbone interact. energy: -0.000 local terms energy: -825.128010 where: bonds (distance) C4'-P energy: -205.975 bonds (distance) P-C4' energy: -190.561 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -178.053 tors. eta vs tors. theta energy: -94.883 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1130.699233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.699233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.699233 (E_RNA) where: Base-Base interactions energy: -501.224 where: short stacking energy: -501.224 Base-Backbone interact. energy: -0.227 local terms energy: -629.247770 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -130.333 flat angles C4'-P-C4' energy: -146.088 flat angles P-C4'-P energy: -94.995 tors. eta vs tors. theta energy: -121.013 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1004.045999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.045999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.045999 (E_RNA) where: Base-Base interactions energy: -413.597 where: short stacking energy: -413.499 Base-Backbone interact. energy: -0.141 local terms energy: -590.308202 where: bonds (distance) C4'-P energy: -136.000 bonds (distance) P-C4' energy: -142.975 flat angles C4'-P-C4' energy: -121.461 flat angles P-C4'-P energy: -92.356 tors. eta vs tors. theta energy: -97.517 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -955.917170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.917170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.917170 (E_RNA) where: Base-Base interactions energy: -408.054 where: short stacking energy: -403.081 Base-Backbone interact. energy: -0.667 local terms energy: -547.196440 where: bonds (distance) C4'-P energy: -120.082 bonds (distance) P-C4' energy: -132.495 flat angles C4'-P-C4' energy: -125.399 flat angles P-C4'-P energy: -79.530 tors. eta vs tors. theta energy: -89.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -909.689470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.689470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.689470 (E_RNA) where: Base-Base interactions energy: -356.274 where: short stacking energy: -348.431 Base-Backbone interact. energy: 0.154 local terms energy: -553.569657 where: bonds (distance) C4'-P energy: -133.198 bonds (distance) P-C4' energy: -149.124 flat angles C4'-P-C4' energy: -130.847 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -66.472 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -872.682020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.682020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.682020 (E_RNA) where: Base-Base interactions energy: -52.016 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.000 local terms energy: -820.666132 where: bonds (distance) C4'-P energy: -202.215 bonds (distance) P-C4' energy: -189.799 flat angles C4'-P-C4' energy: -155.372 flat angles P-C4'-P energy: -177.823 tors. eta vs tors. theta energy: -95.458 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -875.024130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.024130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.024130 (E_RNA) where: Base-Base interactions energy: -74.169 where: short stacking energy: -74.169 Base-Backbone interact. energy: -0.000 local terms energy: -800.854852 where: bonds (distance) C4'-P energy: -190.355 bonds (distance) P-C4' energy: -180.198 flat angles C4'-P-C4' energy: -157.646 flat angles P-C4'-P energy: -174.960 tors. eta vs tors. theta energy: -97.696 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -873.619617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.619617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.619617 (E_RNA) where: Base-Base interactions energy: -75.096 where: short stacking energy: -75.096 Base-Backbone interact. energy: -0.000 local terms energy: -798.523447 where: bonds (distance) C4'-P energy: -187.531 bonds (distance) P-C4' energy: -179.891 flat angles C4'-P-C4' energy: -157.168 flat angles P-C4'-P energy: -175.341 tors. eta vs tors. theta energy: -98.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -875.014927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.014927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.014927 (E_RNA) where: Base-Base interactions energy: -75.578 where: short stacking energy: -75.578 Base-Backbone interact. energy: -0.000 local terms energy: -799.437153 where: bonds (distance) C4'-P energy: -187.639 bonds (distance) P-C4' energy: -180.673 flat angles C4'-P-C4' energy: -157.696 flat angles P-C4'-P energy: -175.272 tors. eta vs tors. theta energy: -98.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -878.773329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.773329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.773329 (E_RNA) where: Base-Base interactions energy: -75.366 where: short stacking energy: -75.366 Base-Backbone interact. energy: -0.000 local terms energy: -803.406885 where: bonds (distance) C4'-P energy: -191.042 bonds (distance) P-C4' energy: -181.586 flat angles C4'-P-C4' energy: -158.327 flat angles P-C4'-P energy: -175.495 tors. eta vs tors. theta energy: -96.956 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -874.462794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.462794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.462794 (E_RNA) where: Base-Base interactions energy: -52.444 where: short stacking energy: -52.444 Base-Backbone interact. energy: -0.000 local terms energy: -822.019075 where: bonds (distance) C4'-P energy: -203.801 bonds (distance) P-C4' energy: -190.060 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -177.746 tors. eta vs tors. theta energy: -95.595 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1110.089099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.089099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.089099 (E_RNA) where: Base-Base interactions energy: -516.564 where: short stacking energy: -485.479 Base-Backbone interact. energy: -0.372 local terms energy: -593.153811 where: bonds (distance) C4'-P energy: -135.743 bonds (distance) P-C4' energy: -136.508 flat angles C4'-P-C4' energy: -129.819 flat angles P-C4'-P energy: -77.851 tors. eta vs tors. theta energy: -113.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1074.405852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.405852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.405852 (E_RNA) where: Base-Base interactions energy: -502.614 where: short stacking energy: -483.769 Base-Backbone interact. energy: -0.769 local terms energy: -571.023101 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -131.512 flat angles C4'-P-C4' energy: -115.962 flat angles P-C4'-P energy: -89.803 tors. eta vs tors. theta energy: -119.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -962.372644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.372644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.372644 (E_RNA) where: Base-Base interactions energy: -420.639 where: short stacking energy: -399.726 Base-Backbone interact. energy: -1.070 local terms energy: -540.663649 where: bonds (distance) C4'-P energy: -133.221 bonds (distance) P-C4' energy: -102.913 flat angles C4'-P-C4' energy: -125.716 flat angles P-C4'-P energy: -95.905 tors. eta vs tors. theta energy: -82.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -887.463786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.463786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.463786 (E_RNA) where: Base-Base interactions energy: -373.188 where: short stacking energy: -368.171 Base-Backbone interact. energy: -0.153 local terms energy: -514.122642 where: bonds (distance) C4'-P energy: -124.106 bonds (distance) P-C4' energy: -124.925 flat angles C4'-P-C4' energy: -116.035 flat angles P-C4'-P energy: -71.389 tors. eta vs tors. theta energy: -77.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -812.402440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.402440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.402440 (E_RNA) where: Base-Base interactions energy: -306.953 where: short stacking energy: -305.151 Base-Backbone interact. energy: -0.547 local terms energy: -504.902216 where: bonds (distance) C4'-P energy: -126.878 bonds (distance) P-C4' energy: -123.197 flat angles C4'-P-C4' energy: -112.692 flat angles P-C4'-P energy: -76.498 tors. eta vs tors. theta energy: -65.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -819.590904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.590904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.590904 (E_RNA) where: Base-Base interactions energy: -378.587 where: short stacking energy: -280.566 Base-Backbone interact. energy: 0.419 local terms energy: -441.422351 where: bonds (distance) C4'-P energy: -108.708 bonds (distance) P-C4' energy: -123.629 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -31.574 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -681.809196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.809196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.809196 (E_RNA) where: Base-Base interactions energy: -265.064 where: short stacking energy: -251.117 Base-Backbone interact. energy: 0.688 local terms energy: -417.433858 where: bonds (distance) C4'-P energy: -101.869 bonds (distance) P-C4' energy: -110.445 flat angles C4'-P-C4' energy: -106.119 flat angles P-C4'-P energy: -77.997 tors. eta vs tors. theta energy: -21.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -637.036047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.036047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.036047 (E_RNA) where: Base-Base interactions energy: -224.167 where: short stacking energy: -197.612 Base-Backbone interact. energy: -0.505 local terms energy: -412.364330 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -118.971 flat angles C4'-P-C4' energy: -103.689 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -18.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -610.858606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.858606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.858606 (E_RNA) where: Base-Base interactions energy: -208.943 where: short stacking energy: -185.385 Base-Backbone interact. energy: 1.369 local terms energy: -403.284468 where: bonds (distance) C4'-P energy: -112.793 bonds (distance) P-C4' energy: -127.778 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -61.526 tors. eta vs tors. theta energy: -1.991 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -532.757570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.757570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.757570 (E_RNA) where: Base-Base interactions energy: -181.762 where: short stacking energy: -158.370 Base-Backbone interact. energy: 0.498 local terms energy: -351.493259 where: bonds (distance) C4'-P energy: -106.826 bonds (distance) P-C4' energy: -84.519 flat angles C4'-P-C4' energy: -94.760 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: 0.506 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: 4 Temperature: 0.900000 Total energy: -1188.102767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.102767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.102767 (E_RNA) where: Base-Base interactions energy: -564.136 where: short stacking energy: -500.096 Base-Backbone interact. energy: -1.056 local terms energy: -622.911121 where: bonds (distance) C4'-P energy: -137.452 bonds (distance) P-C4' energy: -141.892 flat angles C4'-P-C4' energy: -138.292 flat angles P-C4'-P energy: -93.900 tors. eta vs tors. theta energy: -111.376 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1068.399579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.399579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.399579 (E_RNA) where: Base-Base interactions energy: -498.077 where: short stacking energy: -476.759 Base-Backbone interact. energy: 2.566 local terms energy: -572.888045 where: bonds (distance) C4'-P energy: -122.722 bonds (distance) P-C4' energy: -138.841 flat angles C4'-P-C4' energy: -131.146 flat angles P-C4'-P energy: -81.849 tors. eta vs tors. theta energy: -98.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -991.158816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.158816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.158816 (E_RNA) where: Base-Base interactions energy: -434.258 where: short stacking energy: -414.157 Base-Backbone interact. energy: -0.039 local terms energy: -556.861509 where: bonds (distance) C4'-P energy: -127.883 bonds (distance) P-C4' energy: -129.630 flat angles C4'-P-C4' energy: -131.448 flat angles P-C4'-P energy: -83.368 tors. eta vs tors. theta energy: -84.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -881.211467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.211467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.211467 (E_RNA) where: Base-Base interactions energy: -368.537 where: short stacking energy: -365.126 Base-Backbone interact. energy: -2.565 local terms energy: -510.109902 where: bonds (distance) C4'-P energy: -106.749 bonds (distance) P-C4' energy: -136.569 flat angles C4'-P-C4' energy: -118.164 flat angles P-C4'-P energy: -68.928 tors. eta vs tors. theta energy: -79.700 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: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -977.460165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.460165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.460165 (E_RNA) where: Base-Base interactions energy: -479.525 where: short stacking energy: -350.717 Base-Backbone interact. energy: -0.045 local terms energy: -497.890175 where: bonds (distance) C4'-P energy: -120.161 bonds (distance) P-C4' energy: -125.430 flat angles C4'-P-C4' energy: -111.923 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -64.826 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: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -817.684614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.684614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.684614 (E_RNA) where: Base-Base interactions energy: -351.531 where: short stacking energy: -287.413 Base-Backbone interact. energy: -0.258 local terms energy: -465.895394 where: bonds (distance) C4'-P energy: -118.409 bonds (distance) P-C4' energy: -123.997 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -43.717 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: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -701.610745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.610745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.610745 (E_RNA) where: Base-Base interactions energy: -263.957 where: short stacking energy: -217.207 Base-Backbone interact. energy: 1.600 local terms energy: -439.253925 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -131.054 flat angles C4'-P-C4' energy: -117.884 flat angles P-C4'-P energy: -58.238 tors. eta vs tors. theta energy: -21.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -636.432562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.432562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.432562 (E_RNA) where: Base-Base interactions energy: -238.935 where: short stacking energy: -197.251 Base-Backbone interact. energy: -0.162 local terms energy: -397.335809 where: bonds (distance) C4'-P energy: -100.181 bonds (distance) P-C4' energy: -116.898 flat angles C4'-P-C4' energy: -99.198 flat angles P-C4'-P energy: -75.857 tors. eta vs tors. theta energy: -5.202 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -601.994835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.994835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.994835 (E_RNA) where: Base-Base interactions energy: -231.308 where: short stacking energy: -214.726 Base-Backbone interact. energy: -1.815 local terms energy: -368.872290 where: bonds (distance) C4'-P energy: -93.452 bonds (distance) P-C4' energy: -123.229 flat angles C4'-P-C4' energy: -87.039 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -6.653 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: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -565.855849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.855849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.855849 (E_RNA) where: Base-Base interactions energy: -240.820 where: short stacking energy: -203.256 Base-Backbone interact. energy: 2.354 local terms energy: -327.389856 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -105.985 flat angles C4'-P-C4' energy: -81.772 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: 5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1256.448089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.448089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.448089 (E_RNA) where: Base-Base interactions energy: -606.029 where: short stacking energy: -530.589 Base-Backbone interact. energy: -0.734 local terms energy: -649.685325 where: bonds (distance) C4'-P energy: -133.545 bonds (distance) P-C4' energy: -139.887 flat angles C4'-P-C4' energy: -146.640 flat angles P-C4'-P energy: -90.717 tors. eta vs tors. theta energy: -138.897 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: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1107.198558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.198558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.198558 (E_RNA) where: Base-Base interactions energy: -547.244 where: short stacking energy: -419.519 Base-Backbone interact. energy: -2.956 local terms energy: -556.998810 where: bonds (distance) C4'-P energy: -126.835 bonds (distance) P-C4' energy: -139.365 flat angles C4'-P-C4' energy: -131.545 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -91.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1055.673905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.673905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.673905 (E_RNA) where: Base-Base interactions energy: -495.771 where: short stacking energy: -397.851 Base-Backbone interact. energy: 1.169 local terms energy: -561.071233 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -131.012 flat angles P-C4'-P energy: -77.120 tors. eta vs tors. theta energy: -88.129 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: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1153.773879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.773879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.773879 (E_RNA) where: Base-Base interactions energy: -661.234 where: short stacking energy: -401.554 Base-Backbone interact. energy: -0.825 local terms energy: -491.714280 where: bonds (distance) C4'-P energy: -115.351 bonds (distance) P-C4' energy: -125.702 flat angles C4'-P-C4' energy: -111.188 flat angles P-C4'-P energy: -75.083 tors. eta vs tors. theta energy: -64.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -860.160687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.160687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.160687 (E_RNA) where: Base-Base interactions energy: -411.777 where: short stacking energy: -261.461 Base-Backbone interact. energy: -1.427 local terms energy: -446.956286 where: bonds (distance) C4'-P energy: -117.678 bonds (distance) P-C4' energy: -131.930 flat angles C4'-P-C4' energy: -114.934 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -29.288 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: 5 Temperature: 1.150000 Total energy: -801.810183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.810183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.810183 (E_RNA) where: Base-Base interactions energy: -369.481 where: short stacking energy: -262.742 Base-Backbone interact. energy: -1.737 local terms energy: -430.592349 where: bonds (distance) C4'-P energy: -104.506 bonds (distance) P-C4' energy: -110.858 flat angles C4'-P-C4' energy: -106.881 flat angles P-C4'-P energy: -77.328 tors. eta vs tors. theta energy: -31.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -756.596056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.596056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.596056 (E_RNA) where: Base-Base interactions energy: -311.781 where: short stacking energy: -276.156 Base-Backbone interact. energy: -2.986 local terms energy: -441.828316 where: bonds (distance) C4'-P energy: -117.706 bonds (distance) P-C4' energy: -116.403 flat angles C4'-P-C4' energy: -107.384 flat angles P-C4'-P energy: -56.630 tors. eta vs tors. theta energy: -43.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -652.261557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.261557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.261557 (E_RNA) where: Base-Base interactions energy: -279.183 where: short stacking energy: -220.141 Base-Backbone interact. energy: 8.117 local terms energy: -381.195664 where: bonds (distance) C4'-P energy: -110.704 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -96.146 flat angles P-C4'-P energy: -56.879 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -602.179316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.179316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.179316 (E_RNA) where: Base-Base interactions energy: -263.181 where: short stacking energy: -204.894 Base-Backbone interact. energy: 1.371 local terms energy: -340.369738 where: bonds (distance) C4'-P energy: -93.031 bonds (distance) P-C4' energy: -101.130 flat angles C4'-P-C4' energy: -92.598 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -0.187 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: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -553.607998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.607998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.607998 (E_RNA) where: Base-Base interactions energy: -222.916 where: short stacking energy: -170.190 Base-Backbone interact. energy: -2.328 local terms energy: -328.364175 where: bonds (distance) C4'-P energy: -99.110 bonds (distance) P-C4' energy: -114.561 flat angles C4'-P-C4' energy: -74.373 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: 8.541 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1285.315941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.315941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.315941 (E_RNA) where: Base-Base interactions energy: -662.122 where: short stacking energy: -563.581 Base-Backbone interact. energy: -0.677 local terms energy: -622.517231 where: bonds (distance) C4'-P energy: -135.591 bonds (distance) P-C4' energy: -128.305 flat angles C4'-P-C4' energy: -137.113 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -143.855 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: 6 Temperature: 0.950000 Total energy: -1203.301599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.301599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.301599 (E_RNA) where: Base-Base interactions energy: -596.736 where: short stacking energy: -478.139 Base-Backbone interact. energy: 2.343 local terms energy: -608.908855 where: bonds (distance) C4'-P energy: -124.353 bonds (distance) P-C4' energy: -137.573 flat angles C4'-P-C4' energy: -134.344 flat angles P-C4'-P energy: -93.944 tors. eta vs tors. theta energy: -118.694 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: 3, replica: 7 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1307.490658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.490658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.490658 (E_RNA) where: Base-Base interactions energy: -732.209 where: short stacking energy: -436.650 Base-Backbone interact. energy: -2.597 local terms energy: -572.685373 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -135.307 flat angles C4'-P-C4' energy: -134.626 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -100.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -986.890761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.890761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.890761 (E_RNA) where: Base-Base interactions energy: -459.518 where: short stacking energy: -353.413 Base-Backbone interact. energy: -0.644 local terms energy: -526.729193 where: bonds (distance) C4'-P energy: -126.283 bonds (distance) P-C4' energy: -111.350 flat angles C4'-P-C4' energy: -138.795 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -67.310 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: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -974.240176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.240176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.240176 (E_RNA) where: Base-Base interactions energy: -467.826 where: short stacking energy: -342.449 Base-Backbone interact. energy: -1.097 local terms energy: -505.316620 where: bonds (distance) C4'-P energy: -122.551 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -116.468 flat angles P-C4'-P energy: -83.659 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -828.049362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.049362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.049362 (E_RNA) where: Base-Base interactions energy: -369.774 where: short stacking energy: -286.244 Base-Backbone interact. energy: 2.579 local terms energy: -460.854313 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -119.946 flat angles C4'-P-C4' energy: -131.998 flat angles P-C4'-P energy: -69.706 tors. eta vs tors. theta energy: -38.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -739.754200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.754200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.754200 (E_RNA) where: Base-Base interactions energy: -304.805 where: short stacking energy: -259.851 Base-Backbone interact. energy: -0.854 local terms energy: -434.095287 where: bonds (distance) C4'-P energy: -110.981 bonds (distance) P-C4' energy: -128.338 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: -25.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -654.112012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.112012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.112012 (E_RNA) where: Base-Base interactions energy: -272.753 where: short stacking energy: -203.328 Base-Backbone interact. energy: 3.272 local terms energy: -384.630178 where: bonds (distance) C4'-P energy: -104.158 bonds (distance) P-C4' energy: -110.423 flat angles C4'-P-C4' energy: -106.784 flat angles P-C4'-P energy: -66.367 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: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -675.797685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.797685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.797685 (E_RNA) where: Base-Base interactions energy: -292.154 where: short stacking energy: -205.176 Base-Backbone interact. energy: -4.120 local terms energy: -379.523224 where: bonds (distance) C4'-P energy: -105.086 bonds (distance) P-C4' energy: -110.184 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -69.374 tors. eta vs tors. theta energy: 10.343 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: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -554.642150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.642150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.642150 (E_RNA) where: Base-Base interactions energy: -230.684 where: short stacking energy: -180.924 Base-Backbone interact. energy: 1.076 local terms energy: -325.033797 where: bonds (distance) C4'-P energy: -82.836 bonds (distance) P-C4' energy: -108.746 flat angles C4'-P-C4' energy: -89.445 flat angles P-C4'-P energy: -58.654 tors. eta vs tors. theta energy: 14.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1298.949268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.949268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.949268 (E_RNA) where: Base-Base interactions energy: -665.041 where: short stacking energy: -574.784 Base-Backbone interact. energy: -1.035 local terms energy: -632.872648 where: bonds (distance) C4'-P energy: -119.009 bonds (distance) P-C4' energy: -132.813 flat angles C4'-P-C4' energy: -140.483 flat angles P-C4'-P energy: -82.841 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: 2, replica: 7 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1431.742250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.742250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.742250 (E_RNA) where: Base-Base interactions energy: -838.998 where: short stacking energy: -491.300 Base-Backbone interact. energy: -0.796 local terms energy: -591.948331 where: bonds (distance) C4'-P energy: -134.438 bonds (distance) P-C4' energy: -132.067 flat angles C4'-P-C4' energy: -130.571 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -111.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1141.521849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.521849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.521849 (E_RNA) where: Base-Base interactions energy: -602.569 where: short stacking energy: -424.199 Base-Backbone interact. energy: -2.989 local terms energy: -535.963510 where: bonds (distance) C4'-P energy: -126.388 bonds (distance) P-C4' energy: -121.609 flat angles C4'-P-C4' energy: -125.662 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -89.985 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -967.212410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.212410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.212410 (E_RNA) where: Base-Base interactions energy: -477.327 where: short stacking energy: -358.763 Base-Backbone interact. energy: 0.577 local terms energy: -490.461655 where: bonds (distance) C4'-P energy: -110.527 bonds (distance) P-C4' energy: -127.704 flat angles C4'-P-C4' energy: -125.141 flat angles P-C4'-P energy: -71.128 tors. eta vs tors. theta energy: -55.961 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1011.557024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.557024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.557024 (E_RNA) where: Base-Base interactions energy: -539.789 where: short stacking energy: -331.813 Base-Backbone interact. energy: 2.264 local terms energy: -474.031520 where: bonds (distance) C4'-P energy: -122.614 bonds (distance) P-C4' energy: -128.632 flat angles C4'-P-C4' energy: -107.093 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -51.861 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -842.245096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.245096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.245096 (E_RNA) where: Base-Base interactions energy: -387.522 where: short stacking energy: -317.445 Base-Backbone interact. energy: -2.016 local terms energy: -452.707086 where: bonds (distance) C4'-P energy: -114.767 bonds (distance) P-C4' energy: -115.489 flat angles C4'-P-C4' energy: -109.187 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -41.759 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: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -810.833532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.833532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.833532 (E_RNA) where: Base-Base interactions energy: -393.108 where: short stacking energy: -278.113 Base-Backbone interact. energy: -0.738 local terms energy: -416.987317 where: bonds (distance) C4'-P energy: -113.176 bonds (distance) P-C4' energy: -117.602 flat angles C4'-P-C4' energy: -87.298 flat angles P-C4'-P energy: -59.624 tors. eta vs tors. theta energy: -39.287 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: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -705.309638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.309638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.309638 (E_RNA) where: Base-Base interactions energy: -326.448 where: short stacking energy: -225.979 Base-Backbone interact. energy: 5.041 local terms energy: -383.902063 where: bonds (distance) C4'-P energy: -95.395 bonds (distance) P-C4' energy: -112.262 flat angles C4'-P-C4' energy: -111.384 flat angles P-C4'-P energy: -61.668 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -621.394161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.394161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.394161 (E_RNA) where: Base-Base interactions energy: -222.702 where: short stacking energy: -180.459 Base-Backbone interact. energy: -2.749 local terms energy: -395.943967 where: bonds (distance) C4'-P energy: -117.152 bonds (distance) P-C4' energy: -136.339 flat angles C4'-P-C4' energy: -89.695 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -581.023633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.023633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.023633 (E_RNA) where: Base-Base interactions energy: -222.249 where: short stacking energy: -163.077 Base-Backbone interact. energy: 4.510 local terms energy: -363.284417 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -87.833 flat angles C4'-P-C4' energy: -96.542 flat angles P-C4'-P energy: -74.176 tors. eta vs tors. theta energy: -0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1551.683778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.683778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.683778 (E_RNA) where: Base-Base interactions energy: -938.936 where: short stacking energy: -512.257 Base-Backbone interact. energy: -1.512 local terms energy: -611.235737 where: bonds (distance) C4'-P energy: -127.965 bonds (distance) P-C4' energy: -148.986 flat angles C4'-P-C4' energy: -142.326 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -107.778 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1248.376599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.376599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.376599 (E_RNA) where: Base-Base interactions energy: -623.663 where: short stacking energy: -528.306 Base-Backbone interact. energy: 1.449 local terms energy: -626.162732 where: bonds (distance) C4'-P energy: -129.629 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -141.569 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -135.852 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: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1117.735980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.735980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.735980 (E_RNA) where: Base-Base interactions energy: -575.279 where: short stacking energy: -402.308 Base-Backbone interact. energy: -2.996 local terms energy: -539.460572 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -134.060 flat angles C4'-P-C4' energy: -126.127 flat angles P-C4'-P energy: -68.983 tors. eta vs tors. theta energy: -85.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1041.821912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.821912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.821912 (E_RNA) where: Base-Base interactions energy: -527.648 where: short stacking energy: -397.699 Base-Backbone interact. energy: -1.435 local terms energy: -512.739111 where: bonds (distance) C4'-P energy: -129.106 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -124.280 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -67.880 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: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1087.424903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.424903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.424903 (E_RNA) where: Base-Base interactions energy: -604.930 where: short stacking energy: -346.517 Base-Backbone interact. energy: 2.273 local terms energy: -484.767898 where: bonds (distance) C4'-P energy: -93.963 bonds (distance) P-C4' energy: -132.189 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -85.042 tors. eta vs tors. theta energy: -53.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -851.627120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.627120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.627120 (E_RNA) where: Base-Base interactions energy: -395.863 where: short stacking energy: -309.629 Base-Backbone interact. energy: -2.318 local terms energy: -453.446468 where: bonds (distance) C4'-P energy: -111.824 bonds (distance) P-C4' energy: -122.007 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -47.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -891.735562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.735562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.735562 (E_RNA) where: Base-Base interactions energy: -460.011 where: short stacking energy: -299.571 Base-Backbone interact. energy: 5.070 local terms energy: -436.795363 where: bonds (distance) C4'-P energy: -116.329 bonds (distance) P-C4' energy: -116.620 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -62.794 tors. eta vs tors. theta energy: -43.427 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -672.203090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.203090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.203090 (E_RNA) where: Base-Base interactions energy: -291.620 where: short stacking energy: -237.663 Base-Backbone interact. energy: -0.785 local terms energy: -379.798913 where: bonds (distance) C4'-P energy: -111.582 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -93.157 flat angles P-C4'-P energy: -53.673 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -696.738168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.738168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.738168 (E_RNA) where: Base-Base interactions energy: -391.532 where: short stacking energy: -211.864 Base-Backbone interact. energy: -1.055 local terms energy: -304.150915 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -122.922 flat angles C4'-P-C4' energy: -81.296 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: 21.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -643.417911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.417911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.417911 (E_RNA) where: Base-Base interactions energy: -271.754 where: short stacking energy: -174.075 Base-Backbone interact. energy: -1.571 local terms energy: -370.092963 where: bonds (distance) C4'-P energy: -102.352 bonds (distance) P-C4' energy: -111.051 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -59.561 tors. eta vs tors. theta energy: -2.918 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: 7 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1580.395309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.395309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.395309 (E_RNA) where: Base-Base interactions energy: -996.356 where: short stacking energy: -538.972 Base-Backbone interact. energy: -1.530 local terms energy: -582.508904 where: bonds (distance) C4'-P energy: -135.114 bonds (distance) P-C4' energy: -111.763 flat angles C4'-P-C4' energy: -142.234 flat angles P-C4'-P energy: -91.710 tors. eta vs tors. theta energy: -101.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1210.273014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.273014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.273014 (E_RNA) where: Base-Base interactions energy: -625.148 where: short stacking energy: -478.833 Base-Backbone interact. energy: -1.359 local terms energy: -583.765704 where: bonds (distance) C4'-P energy: -125.296 bonds (distance) P-C4' energy: -135.325 flat angles C4'-P-C4' energy: -140.561 flat angles P-C4'-P energy: -72.906 tors. eta vs tors. theta energy: -109.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1194.615627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.615627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.615627 (E_RNA) where: Base-Base interactions energy: -631.588 where: short stacking energy: -422.443 Base-Backbone interact. energy: -1.982 local terms energy: -561.045706 where: bonds (distance) C4'-P energy: -137.289 bonds (distance) P-C4' energy: -122.781 flat angles C4'-P-C4' energy: -127.992 flat angles P-C4'-P energy: -74.920 tors. eta vs tors. theta energy: -98.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1242.858578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.858578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.858578 (E_RNA) where: Base-Base interactions energy: -723.282 where: short stacking energy: -411.333 Base-Backbone interact. energy: 1.404 local terms energy: -520.980734 where: bonds (distance) C4'-P energy: -112.196 bonds (distance) P-C4' energy: -120.321 flat angles C4'-P-C4' energy: -120.006 flat angles P-C4'-P energy: -80.488 tors. eta vs tors. theta energy: -87.970 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: 9 Temperature: 1.100000 Total energy: -1052.577030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.577030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.577030 (E_RNA) where: Base-Base interactions energy: -500.860 where: short stacking energy: -357.911 Base-Backbone interact. energy: 0.468 local terms energy: -552.185032 where: bonds (distance) C4'-P energy: -138.420 bonds (distance) P-C4' energy: -129.690 flat angles C4'-P-C4' energy: -123.803 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -74.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1062.663189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.663189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.663189 (E_RNA) where: Base-Base interactions energy: -599.852 where: short stacking energy: -340.406 Base-Backbone interact. energy: -0.750 local terms energy: -462.061330 where: bonds (distance) C4'-P energy: -121.358 bonds (distance) P-C4' energy: -111.909 flat angles C4'-P-C4' energy: -110.964 flat angles P-C4'-P energy: -61.602 tors. eta vs tors. theta energy: -56.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -825.084892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.084892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.084892 (E_RNA) where: Base-Base interactions energy: -410.607 where: short stacking energy: -264.550 Base-Backbone interact. energy: -2.980 local terms energy: -411.497802 where: bonds (distance) C4'-P energy: -112.483 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -100.812 flat angles P-C4'-P energy: -71.825 tors. eta vs tors. theta energy: -23.567 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: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -840.990663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.990663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.990663 (E_RNA) where: Base-Base interactions energy: -453.615 where: short stacking energy: -253.287 Base-Backbone interact. energy: -2.900 local terms energy: -384.475405 where: bonds (distance) C4'-P energy: -107.541 bonds (distance) P-C4' energy: -117.601 flat angles C4'-P-C4' energy: -94.597 flat angles P-C4'-P energy: -33.668 tors. eta vs tors. theta energy: -31.068 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: 9 Temperature: 1.300000 Total energy: -591.407466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.407466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.407466 (E_RNA) where: Base-Base interactions energy: -247.994 where: short stacking energy: -177.601 Base-Backbone interact. energy: 6.254 local terms energy: -349.667696 where: bonds (distance) C4'-P energy: -108.925 bonds (distance) P-C4' energy: -110.631 flat angles C4'-P-C4' energy: -75.982 flat angles P-C4'-P energy: -58.168 tors. eta vs tors. theta energy: 4.038 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: 9 Temperature: 1.350000 Total energy: -664.371456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.371456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.371456 (E_RNA) where: Base-Base interactions energy: -321.454 where: short stacking energy: -189.036 Base-Backbone interact. energy: 3.317 local terms energy: -346.235287 where: bonds (distance) C4'-P energy: -101.868 bonds (distance) P-C4' energy: -109.624 flat angles C4'-P-C4' energy: -96.189 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: 9.553 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: 10 Temperature: 0.900000 Total energy: -1618.697973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.697973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.697973 (E_RNA) where: Base-Base interactions energy: -1021.011 where: short stacking energy: -529.371 Base-Backbone interact. energy: -3.335 local terms energy: -594.352020 where: bonds (distance) C4'-P energy: -120.977 bonds (distance) P-C4' energy: -141.296 flat angles C4'-P-C4' energy: -138.017 flat angles P-C4'-P energy: -85.695 tors. eta vs tors. theta energy: -108.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1293.542164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.542164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.542164 (E_RNA) where: Base-Base interactions energy: -701.181 where: short stacking energy: -485.829 Base-Backbone interact. energy: -2.649 local terms energy: -589.712472 where: bonds (distance) C4'-P energy: -134.766 bonds (distance) P-C4' energy: -128.633 flat angles C4'-P-C4' energy: -136.268 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -105.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1306.065868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.065868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.065868 (E_RNA) where: Base-Base interactions energy: -741.679 where: short stacking energy: -417.557 Base-Backbone interact. energy: -1.127 local terms energy: -563.259437 where: bonds (distance) C4'-P energy: -135.831 bonds (distance) P-C4' energy: -121.705 flat angles C4'-P-C4' energy: -116.963 flat angles P-C4'-P energy: -96.447 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: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1140.538689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.538689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.538689 (E_RNA) where: Base-Base interactions energy: -636.961 where: short stacking energy: -384.293 Base-Backbone interact. energy: -1.188 local terms energy: -502.389060 where: bonds (distance) C4'-P energy: -125.740 bonds (distance) P-C4' energy: -125.995 flat angles C4'-P-C4' energy: -113.007 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: -81.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1145.426750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.426750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.426750 (E_RNA) where: Base-Base interactions energy: -646.047 where: short stacking energy: -376.813 Base-Backbone interact. energy: -0.864 local terms energy: -498.515217 where: bonds (distance) C4'-P energy: -123.642 bonds (distance) P-C4' energy: -116.097 flat angles C4'-P-C4' energy: -112.998 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: -73.505 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: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -927.442172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.442172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.442172 (E_RNA) where: Base-Base interactions energy: -479.976 where: short stacking energy: -299.464 Base-Backbone interact. energy: -0.581 local terms energy: -446.885782 where: bonds (distance) C4'-P energy: -116.248 bonds (distance) P-C4' energy: -122.141 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -39.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -994.588185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.588185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.588185 (E_RNA) where: Base-Base interactions energy: -566.074 where: short stacking energy: -267.877 Base-Backbone interact. energy: -1.862 local terms energy: -426.651621 where: bonds (distance) C4'-P energy: -115.704 bonds (distance) P-C4' energy: -99.075 flat angles C4'-P-C4' energy: -115.768 flat angles P-C4'-P energy: -59.198 tors. eta vs tors. theta energy: -36.906 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: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -756.978842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.978842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.978842 (E_RNA) where: Base-Base interactions energy: -342.920 where: short stacking energy: -198.714 Base-Backbone interact. energy: 2.439 local terms energy: -416.497254 where: bonds (distance) C4'-P energy: -124.308 bonds (distance) P-C4' energy: -121.292 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -54.508 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: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -727.945303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.945303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.945303 (E_RNA) where: Base-Base interactions energy: -360.766 where: short stacking energy: -208.527 Base-Backbone interact. energy: -3.230 local terms energy: -363.949267 where: bonds (distance) C4'-P energy: -116.601 bonds (distance) P-C4' energy: -109.298 flat angles C4'-P-C4' energy: -99.984 flat angles P-C4'-P energy: -35.459 tors. eta vs tors. theta energy: -2.608 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: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -539.605849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.605849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.605849 (E_RNA) where: Base-Base interactions energy: -195.626 where: short stacking energy: -163.454 Base-Backbone interact. energy: 7.573 local terms energy: -351.552661 where: bonds (distance) C4'-P energy: -102.115 bonds (distance) P-C4' energy: -124.384 flat angles C4'-P-C4' energy: -90.730 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: 14.307 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: 1, replica: 7 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1683.584666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.584666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.584666 (E_RNA) where: Base-Base interactions energy: -1037.421 where: short stacking energy: -536.025 Base-Backbone interact. energy: -1.063 local terms energy: -645.101010 where: bonds (distance) C4'-P energy: -127.254 bonds (distance) P-C4' energy: -148.604 flat angles C4'-P-C4' energy: -137.352 flat angles P-C4'-P energy: -101.569 tors. eta vs tors. theta energy: -130.323 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: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1480.279700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.279700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.279700 (E_RNA) where: Base-Base interactions energy: -897.537 where: short stacking energy: -481.553 Base-Backbone interact. energy: -0.029 local terms energy: -582.713705 where: bonds (distance) C4'-P energy: -140.834 bonds (distance) P-C4' energy: -130.215 flat angles C4'-P-C4' energy: -126.159 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -106.860 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1282.996861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.996861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.996861 (E_RNA) where: Base-Base interactions energy: -728.582 where: short stacking energy: -408.299 Base-Backbone interact. energy: 0.510 local terms energy: -554.924613 where: bonds (distance) C4'-P energy: -129.184 bonds (distance) P-C4' energy: -145.258 flat angles C4'-P-C4' energy: -126.081 flat angles P-C4'-P energy: -66.749 tors. eta vs tors. theta energy: -87.652 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: 10 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1285.094761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.094761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.094761 (E_RNA) where: Base-Base interactions energy: -738.250 where: short stacking energy: -436.422 Base-Backbone interact. energy: -0.523 local terms energy: -546.322009 where: bonds (distance) C4'-P energy: -116.579 bonds (distance) P-C4' energy: -125.967 flat angles C4'-P-C4' energy: -135.036 flat angles P-C4'-P energy: -86.384 tors. eta vs tors. theta energy: -82.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1094.537151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.537151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.537151 (E_RNA) where: Base-Base interactions energy: -592.251 where: short stacking energy: -361.646 Base-Backbone interact. energy: -0.938 local terms energy: -501.348139 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -125.522 flat angles C4'-P-C4' energy: -124.407 flat angles P-C4'-P energy: -79.692 tors. eta vs tors. theta energy: -58.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1098.221550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.221550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.221550 (E_RNA) where: Base-Base interactions energy: -614.026 where: short stacking energy: -373.621 Base-Backbone interact. energy: -0.819 local terms energy: -483.376090 where: bonds (distance) C4'-P energy: -110.549 bonds (distance) P-C4' energy: -112.534 flat angles C4'-P-C4' energy: -126.470 flat angles P-C4'-P energy: -61.282 tors. eta vs tors. theta energy: -72.541 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: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -923.663935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.663935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.663935 (E_RNA) where: Base-Base interactions energy: -474.077 where: short stacking energy: -296.864 Base-Backbone interact. energy: -2.486 local terms energy: -447.100394 where: bonds (distance) C4'-P energy: -112.210 bonds (distance) P-C4' energy: -121.962 flat angles C4'-P-C4' energy: -96.950 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -36.622 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: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -903.030021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.030021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.030021 (E_RNA) where: Base-Base interactions energy: -492.342 where: short stacking energy: -281.289 Base-Backbone interact. energy: -1.990 local terms energy: -408.698005 where: bonds (distance) C4'-P energy: -107.347 bonds (distance) P-C4' energy: -101.331 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -74.000 tors. eta vs tors. theta energy: -28.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -652.761410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.761410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.761410 (E_RNA) where: Base-Base interactions energy: -279.376 where: short stacking energy: -192.906 Base-Backbone interact. energy: -0.369 local terms energy: -373.016217 where: bonds (distance) C4'-P energy: -111.640 bonds (distance) P-C4' energy: -92.836 flat angles C4'-P-C4' energy: -103.511 flat angles P-C4'-P energy: -67.944 tors. eta vs tors. theta energy: 2.914 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: 10, replica: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -510.008452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.008452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.008452 (E_RNA) where: Base-Base interactions energy: -203.471 where: short stacking energy: -163.177 Base-Backbone interact. energy: -1.447 local terms energy: -305.090261 where: bonds (distance) C4'-P energy: -110.258 bonds (distance) P-C4' energy: -103.295 flat angles C4'-P-C4' energy: -53.452 flat angles P-C4'-P energy: -57.200 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1699.593980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.593980 (E_RNA) where: Base-Base interactions energy: -1104.859 where: short stacking energy: -552.605 Base-Backbone interact. energy: -4.089 local terms energy: -590.645629 where: bonds (distance) C4'-P energy: -126.073 bonds (distance) P-C4' energy: -121.637 flat angles C4'-P-C4' energy: -142.491 flat angles P-C4'-P energy: -77.462 tors. eta vs tors. theta energy: -122.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1566.210604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.210604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.210604 (E_RNA) where: Base-Base interactions energy: -964.930 where: short stacking energy: -495.142 Base-Backbone interact. energy: -4.688 local terms energy: -596.592803 where: bonds (distance) C4'-P energy: -131.994 bonds (distance) P-C4' energy: -133.921 flat angles C4'-P-C4' energy: -131.381 flat angles P-C4'-P energy: -80.382 tors. eta vs tors. theta energy: -118.914 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: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1332.260588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.260588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.260588 (E_RNA) where: Base-Base interactions energy: -783.950 where: short stacking energy: -445.794 Base-Backbone interact. energy: 0.925 local terms energy: -549.235907 where: bonds (distance) C4'-P energy: -122.021 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -123.501 flat angles P-C4'-P energy: -89.888 tors. eta vs tors. theta energy: -96.131 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: 12 Temperature: 1.050000 Total energy: -1363.393312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.393312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.393312 (E_RNA) where: Base-Base interactions energy: -796.574 where: short stacking energy: -411.456 Base-Backbone interact. energy: -3.540 local terms energy: -563.279415 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -130.545 flat angles C4'-P-C4' energy: -119.295 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -100.361 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: 5, replica: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1043.489873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.489873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.489873 (E_RNA) where: Base-Base interactions energy: -547.433 where: short stacking energy: -327.010 Base-Backbone interact. energy: -2.225 local terms energy: -493.831494 where: bonds (distance) C4'-P energy: -121.898 bonds (distance) P-C4' energy: -121.031 flat angles C4'-P-C4' energy: -114.003 flat angles P-C4'-P energy: -81.591 tors. eta vs tors. theta energy: -55.309 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: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1075.850941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.850941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.850941 (E_RNA) where: Base-Base interactions energy: -637.677 where: short stacking energy: -334.989 Base-Backbone interact. energy: -0.020 local terms energy: -438.153714 where: bonds (distance) C4'-P energy: -105.599 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -76.520 tors. eta vs tors. theta energy: -40.051 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: 3 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -917.798968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.798968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.798968 (E_RNA) where: Base-Base interactions energy: -470.338 where: short stacking energy: -299.753 Base-Backbone interact. energy: -0.505 local terms energy: -446.955539 where: bonds (distance) C4'-P energy: -97.007 bonds (distance) P-C4' energy: -126.958 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -46.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -957.349649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.349649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.349649 (E_RNA) where: Base-Base interactions energy: -532.555 where: short stacking energy: -290.771 Base-Backbone interact. energy: -0.147 local terms energy: -424.647538 where: bonds (distance) C4'-P energy: -106.754 bonds (distance) P-C4' energy: -123.716 flat angles C4'-P-C4' energy: -91.533 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -26.958 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: 12 Temperature: 1.300000 Total energy: -653.128281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.128281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.128281 (E_RNA) where: Base-Base interactions energy: -280.476 where: short stacking energy: -191.565 Base-Backbone interact. energy: -0.180 local terms energy: -372.472233 where: bonds (distance) C4'-P energy: -111.031 bonds (distance) P-C4' energy: -111.012 flat angles C4'-P-C4' energy: -86.408 flat angles P-C4'-P energy: -60.315 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -610.746263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.746263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.746263 (E_RNA) where: Base-Base interactions energy: -259.979 where: short stacking energy: -169.194 Base-Backbone interact. energy: 1.875 local terms energy: -352.642223 where: bonds (distance) C4'-P energy: -104.918 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: 16.191 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: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1714.600861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.600861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.600861 (E_RNA) where: Base-Base interactions energy: -1072.575 where: short stacking energy: -543.486 Base-Backbone interact. energy: -3.945 local terms energy: -638.081656 where: bonds (distance) C4'-P energy: -131.532 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -150.937 flat angles P-C4'-P energy: -96.401 tors. eta vs tors. theta energy: -124.442 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: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1616.845393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.845393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.845393 (E_RNA) where: Base-Base interactions energy: -1022.984 where: short stacking energy: -497.332 Base-Backbone interact. energy: -5.243 local terms energy: -588.618003 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -124.230 flat angles P-C4'-P energy: -92.965 tors. eta vs tors. theta energy: -119.667 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1381.529312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.529312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.529312 (E_RNA) where: Base-Base interactions energy: -803.610 where: short stacking energy: -474.646 Base-Backbone interact. energy: 2.085 local terms energy: -580.004234 where: bonds (distance) C4'-P energy: -112.261 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -128.935 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -109.239 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: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1356.019009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.019009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.019009 (E_RNA) where: Base-Base interactions energy: -811.323 where: short stacking energy: -400.080 Base-Backbone interact. energy: 0.032 local terms energy: -544.727981 where: bonds (distance) C4'-P energy: -135.876 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -122.221 flat angles P-C4'-P energy: -78.869 tors. eta vs tors. theta energy: -78.358 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: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1117.496807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.496807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.496807 (E_RNA) where: Base-Base interactions energy: -646.136 where: short stacking energy: -394.725 Base-Backbone interact. energy: 0.613 local terms energy: -471.974186 where: bonds (distance) C4'-P energy: -107.930 bonds (distance) P-C4' energy: -113.255 flat angles C4'-P-C4' energy: -109.322 flat angles P-C4'-P energy: -65.905 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: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1260.066501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.066501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.066501 (E_RNA) where: Base-Base interactions energy: -781.878 where: short stacking energy: -411.105 Base-Backbone interact. energy: -1.426 local terms energy: -476.762590 where: bonds (distance) C4'-P energy: -96.104 bonds (distance) P-C4' energy: -112.252 flat angles C4'-P-C4' energy: -118.130 flat angles P-C4'-P energy: -71.905 tors. eta vs tors. theta energy: -78.372 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: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -973.926134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.926134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.926134 (E_RNA) where: Base-Base interactions energy: -531.519 where: short stacking energy: -299.214 Base-Backbone interact. energy: -0.933 local terms energy: -441.474441 where: bonds (distance) C4'-P energy: -111.941 bonds (distance) P-C4' energy: -111.108 flat angles C4'-P-C4' energy: -131.453 flat angles P-C4'-P energy: -56.717 tors. eta vs tors. theta energy: -30.255 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: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -949.309829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.309829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.309829 (E_RNA) where: Base-Base interactions energy: -524.530 where: short stacking energy: -287.545 Base-Backbone interact. energy: 1.474 local terms energy: -426.253295 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -117.647 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -69.935 tors. eta vs tors. theta energy: -28.242 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: 9, replica: 6 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -671.726077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.726077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.726077 (E_RNA) where: Base-Base interactions energy: -297.902 where: short stacking energy: -187.686 Base-Backbone interact. energy: 3.572 local terms energy: -377.395650 where: bonds (distance) C4'-P energy: -121.793 bonds (distance) P-C4' energy: -108.841 flat angles C4'-P-C4' energy: -90.933 flat angles P-C4'-P energy: -48.964 tors. eta vs tors. theta energy: -6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -612.610125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.610125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.610125 (E_RNA) where: Base-Base interactions energy: -250.061 where: short stacking energy: -199.406 Base-Backbone interact. energy: -2.281 local terms energy: -360.268209 where: bonds (distance) C4'-P energy: -89.817 bonds (distance) P-C4' energy: -121.313 flat angles C4'-P-C4' energy: -99.555 flat angles P-C4'-P energy: -57.983 tors. eta vs tors. theta energy: 8.399 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: 14 Temperature: 0.900000 Total energy: -1738.598149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.598149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.598149 (E_RNA) where: Base-Base interactions energy: -1121.525 where: short stacking energy: -526.073 Base-Backbone interact. energy: -3.601 local terms energy: -613.471762 where: bonds (distance) C4'-P energy: -141.992 bonds (distance) P-C4' energy: -139.708 flat angles C4'-P-C4' energy: -135.047 flat angles P-C4'-P energy: -73.110 tors. eta vs tors. theta energy: -123.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1616.949035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.949035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.949035 (E_RNA) where: Base-Base interactions energy: -1031.769 where: short stacking energy: -498.437 Base-Backbone interact. energy: -3.122 local terms energy: -582.057455 where: bonds (distance) C4'-P energy: -120.656 bonds (distance) P-C4' energy: -125.085 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -75.843 tors. eta vs tors. theta energy: -119.494 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: 14 Temperature: 1.000000 Total energy: -1400.448637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.448637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.448637 (E_RNA) where: Base-Base interactions energy: -828.201 where: short stacking energy: -459.384 Base-Backbone interact. energy: -0.277 local terms energy: -571.970038 where: bonds (distance) C4'-P energy: -120.625 bonds (distance) P-C4' energy: -144.316 flat angles C4'-P-C4' energy: -132.359 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -98.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1386.495000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.495000 (E_RNA) where: Base-Base interactions energy: -863.254 where: short stacking energy: -463.573 Base-Backbone interact. energy: 3.778 local terms energy: -527.018450 where: bonds (distance) C4'-P energy: -129.916 bonds (distance) P-C4' energy: -117.707 flat angles C4'-P-C4' energy: -122.602 flat angles P-C4'-P energy: -70.830 tors. eta vs tors. theta energy: -85.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1293.640059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.640059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.640059 (E_RNA) where: Base-Base interactions energy: -750.839 where: short stacking energy: -378.551 Base-Backbone interact. energy: -4.091 local terms energy: -538.710389 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -123.144 flat angles C4'-P-C4' energy: -134.168 flat angles P-C4'-P energy: -78.063 tors. eta vs tors. theta energy: -72.303 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: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1079.970412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.970412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.970412 (E_RNA) where: Base-Base interactions energy: -628.424 where: short stacking energy: -318.106 Base-Backbone interact. energy: 2.866 local terms energy: -454.412625 where: bonds (distance) C4'-P energy: -112.129 bonds (distance) P-C4' energy: -123.632 flat angles C4'-P-C4' energy: -112.899 flat angles P-C4'-P energy: -63.379 tors. eta vs tors. theta energy: -42.373 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: 3 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1031.815291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.815291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.815291 (E_RNA) where: Base-Base interactions energy: -564.097 where: short stacking energy: -330.689 Base-Backbone interact. energy: -3.243 local terms energy: -464.475372 where: bonds (distance) C4'-P energy: -104.274 bonds (distance) P-C4' energy: -137.732 flat angles C4'-P-C4' energy: -119.352 flat angles P-C4'-P energy: -49.374 tors. eta vs tors. theta energy: -53.743 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: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -950.502553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.502553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.502553 (E_RNA) where: Base-Base interactions energy: -542.818 where: short stacking energy: -277.809 Base-Backbone interact. energy: 3.780 local terms energy: -411.464524 where: bonds (distance) C4'-P energy: -95.060 bonds (distance) P-C4' energy: -98.139 flat angles C4'-P-C4' energy: -115.538 flat angles P-C4'-P energy: -83.369 tors. eta vs tors. theta energy: -19.357 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: 9, replica: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -778.411287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.411287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.411287 (E_RNA) where: Base-Base interactions energy: -415.229 where: short stacking energy: -229.212 Base-Backbone interact. energy: 0.549 local terms energy: -363.731153 where: bonds (distance) C4'-P energy: -99.802 bonds (distance) P-C4' energy: -102.293 flat angles C4'-P-C4' energy: -97.447 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -536.202064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.202064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.202064 (E_RNA) where: Base-Base interactions energy: -198.612 where: short stacking energy: -166.640 Base-Backbone interact. energy: -0.621 local terms energy: -336.969590 where: bonds (distance) C4'-P energy: -85.599 bonds (distance) P-C4' energy: -127.317 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: 6.358 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1774.499702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.499702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.499702 (E_RNA) where: Base-Base interactions energy: -1133.090 where: short stacking energy: -567.004 Base-Backbone interact. energy: -2.552 local terms energy: -638.857162 where: bonds (distance) C4'-P energy: -132.672 bonds (distance) P-C4' energy: -141.527 flat angles C4'-P-C4' energy: -139.200 flat angles P-C4'-P energy: -83.219 tors. eta vs tors. theta energy: -142.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1647.874009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.874009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.874009 (E_RNA) where: Base-Base interactions energy: -1040.526 where: short stacking energy: -492.378 Base-Backbone interact. energy: -2.563 local terms energy: -604.785286 where: bonds (distance) C4'-P energy: -128.193 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -129.196 flat angles P-C4'-P energy: -92.102 tors. eta vs tors. theta energy: -128.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1446.943158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.943158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.943158 (E_RNA) where: Base-Base interactions energy: -871.441 where: short stacking energy: -446.594 Base-Backbone interact. energy: 2.665 local terms energy: -578.166967 where: bonds (distance) C4'-P energy: -123.760 bonds (distance) P-C4' energy: -127.166 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -79.230 tors. eta vs tors. theta energy: -108.817 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: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1453.908358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.908358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.908358 (E_RNA) where: Base-Base interactions energy: -929.906 where: short stacking energy: -470.322 Base-Backbone interact. energy: -1.646 local terms energy: -522.355622 where: bonds (distance) C4'-P energy: -118.489 bonds (distance) P-C4' energy: -110.822 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -93.460 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1295.707216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.707216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.707216 (E_RNA) where: Base-Base interactions energy: -788.138 where: short stacking energy: -386.882 Base-Backbone interact. energy: -0.318 local terms energy: -507.251282 where: bonds (distance) C4'-P energy: -122.361 bonds (distance) P-C4' energy: -125.986 flat angles C4'-P-C4' energy: -113.331 flat angles P-C4'-P energy: -70.572 tors. eta vs tors. theta energy: -75.002 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: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1107.619396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.619396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.619396 (E_RNA) where: Base-Base interactions energy: -622.730 where: short stacking energy: -332.378 Base-Backbone interact. energy: 2.629 local terms energy: -487.517592 where: bonds (distance) C4'-P energy: -103.304 bonds (distance) P-C4' energy: -114.466 flat angles C4'-P-C4' energy: -119.140 flat angles P-C4'-P energy: -76.052 tors. eta vs tors. theta energy: -74.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1021.063026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.063026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.063026 (E_RNA) where: Base-Base interactions energy: -612.392 where: short stacking energy: -334.771 Base-Backbone interact. energy: -0.970 local terms energy: -407.700336 where: bonds (distance) C4'-P energy: -109.497 bonds (distance) P-C4' energy: -100.869 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -34.834 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: 15 Temperature: 1.250000 Total energy: -983.451532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.451532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.451532 (E_RNA) where: Base-Base interactions energy: -602.002 where: short stacking energy: -302.282 Base-Backbone interact. energy: -1.756 local terms energy: -379.693270 where: bonds (distance) C4'-P energy: -104.013 bonds (distance) P-C4' energy: -85.398 flat angles C4'-P-C4' energy: -105.918 flat angles P-C4'-P energy: -52.868 tors. eta vs tors. theta energy: -31.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -785.435469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.435469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.435469 (E_RNA) where: Base-Base interactions energy: -461.076 where: short stacking energy: -276.986 Base-Backbone interact. energy: 0.166 local terms energy: -324.525283 where: bonds (distance) C4'-P energy: -74.497 bonds (distance) P-C4' energy: -111.867 flat angles C4'-P-C4' energy: -83.704 flat angles P-C4'-P energy: -35.911 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -614.962341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.962341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.962341 (E_RNA) where: Base-Base interactions energy: -273.520 where: short stacking energy: -190.141 Base-Backbone interact. energy: 3.568 local terms energy: -345.010738 where: bonds (distance) C4'-P energy: -90.385 bonds (distance) P-C4' energy: -105.639 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -73.366 tors. eta vs tors. theta energy: 4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1723.756391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.756391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.756391 (E_RNA) where: Base-Base interactions energy: -1092.246 where: short stacking energy: -576.684 Base-Backbone interact. energy: -1.414 local terms energy: -630.095411 where: bonds (distance) C4'-P energy: -128.055 bonds (distance) P-C4' energy: -131.807 flat angles C4'-P-C4' energy: -137.378 flat angles P-C4'-P energy: -83.907 tors. eta vs tors. theta energy: -148.948 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: 4 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1615.085635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.085635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.085635 (E_RNA) where: Base-Base interactions energy: -1035.146 where: short stacking energy: -513.369 Base-Backbone interact. energy: -1.106 local terms energy: -578.833323 where: bonds (distance) C4'-P energy: -123.999 bonds (distance) P-C4' energy: -124.655 flat angles C4'-P-C4' energy: -140.354 flat angles P-C4'-P energy: -70.422 tors. eta vs tors. theta energy: -119.404 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: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1553.621301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.621301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.621301 (E_RNA) where: Base-Base interactions energy: -978.233 where: short stacking energy: -506.296 Base-Backbone interact. energy: -4.436 local terms energy: -570.953185 where: bonds (distance) C4'-P energy: -116.135 bonds (distance) P-C4' energy: -113.475 flat angles C4'-P-C4' energy: -132.159 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -126.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1477.581439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.581439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.581439 (E_RNA) where: Base-Base interactions energy: -903.198 where: short stacking energy: -480.109 Base-Backbone interact. energy: -0.098 local terms energy: -574.284960 where: bonds (distance) C4'-P energy: -125.113 bonds (distance) P-C4' energy: -125.439 flat angles C4'-P-C4' energy: -135.151 flat angles P-C4'-P energy: -75.664 tors. eta vs tors. theta energy: -112.918 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1376.794214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.794214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.794214 (E_RNA) where: Base-Base interactions energy: -888.445 where: short stacking energy: -428.792 Base-Backbone interact. energy: -0.654 local terms energy: -487.694343 where: bonds (distance) C4'-P energy: -109.201 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -126.762 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -74.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1129.517278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.517278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.517278 (E_RNA) where: Base-Base interactions energy: -667.093 where: short stacking energy: -377.457 Base-Backbone interact. energy: -2.630 local terms energy: -459.794450 where: bonds (distance) C4'-P energy: -98.851 bonds (distance) P-C4' energy: -119.314 flat angles C4'-P-C4' energy: -101.064 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -66.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1147.934974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.934974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.934974 (E_RNA) where: Base-Base interactions energy: -707.256 where: short stacking energy: -372.051 Base-Backbone interact. energy: 1.071 local terms energy: -441.749720 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -118.015 flat angles C4'-P-C4' energy: -106.192 flat angles P-C4'-P energy: -39.696 tors. eta vs tors. theta energy: -59.800 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: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1068.203820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.203820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.203820 (E_RNA) where: Base-Base interactions energy: -641.889 where: short stacking energy: -317.961 Base-Backbone interact. energy: -1.385 local terms energy: -424.930537 where: bonds (distance) C4'-P energy: -100.833 bonds (distance) P-C4' energy: -109.449 flat angles C4'-P-C4' energy: -107.043 flat angles P-C4'-P energy: -70.260 tors. eta vs tors. theta energy: -37.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -760.808191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.808191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.808191 (E_RNA) where: Base-Base interactions energy: -383.191 where: short stacking energy: -210.934 Base-Backbone interact. energy: -2.539 local terms energy: -375.078109 where: bonds (distance) C4'-P energy: -107.716 bonds (distance) P-C4' energy: -108.424 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -39.568 tors. eta vs tors. theta energy: -16.104 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: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -593.593821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.593821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.593821 (E_RNA) where: Base-Base interactions energy: -251.721 where: short stacking energy: -172.041 Base-Backbone interact. energy: 9.146 local terms energy: -351.018735 where: bonds (distance) C4'-P energy: -105.755 bonds (distance) P-C4' energy: -123.084 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -53.529 tors. eta vs tors. theta energy: 6.056 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: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1737.072018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.072018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.072018 (E_RNA) where: Base-Base interactions energy: -1090.696 where: short stacking energy: -550.852 Base-Backbone interact. energy: -3.810 local terms energy: -642.565466 where: bonds (distance) C4'-P energy: -143.365 bonds (distance) P-C4' energy: -141.268 flat angles C4'-P-C4' energy: -137.919 flat angles P-C4'-P energy: -84.911 tors. eta vs tors. theta energy: -135.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1628.705172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.705172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.705172 (E_RNA) where: Base-Base interactions energy: -1024.911 where: short stacking energy: -504.982 Base-Backbone interact. energy: -0.110 local terms energy: -603.683379 where: bonds (distance) C4'-P energy: -131.874 bonds (distance) P-C4' energy: -121.252 flat angles C4'-P-C4' energy: -130.509 flat angles P-C4'-P energy: -88.746 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: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1568.125707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.125707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.125707 (E_RNA) where: Base-Base interactions energy: -992.108 where: short stacking energy: -500.597 Base-Backbone interact. energy: -2.590 local terms energy: -573.427775 where: bonds (distance) C4'-P energy: -119.813 bonds (distance) P-C4' energy: -130.074 flat angles C4'-P-C4' energy: -125.569 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: -119.995 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: 17 Temperature: 1.050000 Total energy: -1490.693554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.693554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.693554 (E_RNA) where: Base-Base interactions energy: -936.679 where: short stacking energy: -453.165 Base-Backbone interact. energy: -0.962 local terms energy: -553.053338 where: bonds (distance) C4'-P energy: -124.201 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -132.145 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -103.965 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: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1452.204677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.204677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.204677 (E_RNA) where: Base-Base interactions energy: -918.434 where: short stacking energy: -451.608 Base-Backbone interact. energy: -2.519 local terms energy: -531.252061 where: bonds (distance) C4'-P energy: -121.841 bonds (distance) P-C4' energy: -113.472 flat angles C4'-P-C4' energy: -122.702 flat angles P-C4'-P energy: -83.469 tors. eta vs tors. theta energy: -89.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1293.587514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.587514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.587514 (E_RNA) where: Base-Base interactions energy: -848.787 where: short stacking energy: -397.298 Base-Backbone interact. energy: 1.404 local terms energy: -446.204318 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -95.110 flat angles C4'-P-C4' energy: -109.091 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -72.495 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: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1055.141279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.141279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.141279 (E_RNA) where: Base-Base interactions energy: -583.883 where: short stacking energy: -316.584 Base-Backbone interact. energy: -0.680 local terms energy: -470.578266 where: bonds (distance) C4'-P energy: -119.168 bonds (distance) P-C4' energy: -131.397 flat angles C4'-P-C4' energy: -109.284 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: -43.258 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: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1142.793431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.793431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.793431 (E_RNA) where: Base-Base interactions energy: -705.450 where: short stacking energy: -345.485 Base-Backbone interact. energy: -2.329 local terms energy: -435.014568 where: bonds (distance) C4'-P energy: -101.166 bonds (distance) P-C4' energy: -86.781 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -70.962 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: 17 Temperature: 1.300000 Total energy: -867.097304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.097304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.097304 (E_RNA) where: Base-Base interactions energy: -467.172 where: short stacking energy: -278.610 Base-Backbone interact. energy: 1.770 local terms energy: -401.695266 where: bonds (distance) C4'-P energy: -106.134 bonds (distance) P-C4' energy: -114.624 flat angles C4'-P-C4' energy: -109.584 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -22.284 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: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -650.870889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.870889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.870889 (E_RNA) where: Base-Base interactions energy: -289.249 where: short stacking energy: -178.924 Base-Backbone interact. energy: -3.319 local terms energy: -358.303244 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -109.695 flat angles C4'-P-C4' energy: -92.733 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -5.112 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: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1790.238007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.238007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.238007 (E_RNA) where: Base-Base interactions energy: -1152.705 where: short stacking energy: -567.229 Base-Backbone interact. energy: -0.902 local terms energy: -636.631197 where: bonds (distance) C4'-P energy: -138.365 bonds (distance) P-C4' energy: -132.827 flat angles C4'-P-C4' energy: -134.296 flat angles P-C4'-P energy: -87.434 tors. eta vs tors. theta energy: -143.708 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: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1607.437239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.437239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.437239 (E_RNA) where: Base-Base interactions energy: -1018.377 where: short stacking energy: -495.753 Base-Backbone interact. energy: -2.816 local terms energy: -586.244940 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -128.621 flat angles C4'-P-C4' energy: -140.226 flat angles P-C4'-P energy: -76.999 tors. eta vs tors. theta energy: -121.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1560.339129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.339129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.339129 (E_RNA) where: Base-Base interactions energy: -969.163 where: short stacking energy: -511.472 Base-Backbone interact. energy: -3.797 local terms energy: -587.379522 where: bonds (distance) C4'-P energy: -119.678 bonds (distance) P-C4' energy: -136.905 flat angles C4'-P-C4' energy: -128.479 flat angles P-C4'-P energy: -82.841 tors. eta vs tors. theta energy: -119.476 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: 10 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1512.690440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.690440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.690440 (E_RNA) where: Base-Base interactions energy: -976.586 where: short stacking energy: -494.853 Base-Backbone interact. energy: -0.347 local terms energy: -535.757967 where: bonds (distance) C4'-P energy: -109.851 bonds (distance) P-C4' energy: -121.361 flat angles C4'-P-C4' energy: -128.127 flat angles P-C4'-P energy: -62.806 tors. eta vs tors. theta energy: -113.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1444.907893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.907893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.907893 (E_RNA) where: Base-Base interactions energy: -915.344 where: short stacking energy: -419.256 Base-Backbone interact. energy: 0.224 local terms energy: -529.788455 where: bonds (distance) C4'-P energy: -120.378 bonds (distance) P-C4' energy: -133.301 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -84.994 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: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1331.038352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.038352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.038352 (E_RNA) where: Base-Base interactions energy: -853.272 where: short stacking energy: -387.433 Base-Backbone interact. energy: -0.793 local terms energy: -476.972870 where: bonds (distance) C4'-P energy: -109.413 bonds (distance) P-C4' energy: -109.145 flat angles C4'-P-C4' energy: -129.595 flat angles P-C4'-P energy: -58.542 tors. eta vs tors. theta energy: -70.278 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: 18 Temperature: 1.200000 Total energy: -1138.940519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.940519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.940519 (E_RNA) where: Base-Base interactions energy: -677.811 where: short stacking energy: -324.095 Base-Backbone interact. energy: 5.810 local terms energy: -466.939463 where: bonds (distance) C4'-P energy: -125.224 bonds (distance) P-C4' energy: -115.180 flat angles C4'-P-C4' energy: -132.056 flat angles P-C4'-P energy: -57.100 tors. eta vs tors. theta energy: -37.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -944.304875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.304875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.304875 (E_RNA) where: Base-Base interactions energy: -534.375 where: short stacking energy: -326.479 Base-Backbone interact. energy: 3.597 local terms energy: -413.526834 where: bonds (distance) C4'-P energy: -107.809 bonds (distance) P-C4' energy: -82.290 flat angles C4'-P-C4' energy: -108.697 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: -51.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -773.317308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.317308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.317308 (E_RNA) where: Base-Base interactions energy: -360.791 where: short stacking energy: -209.189 Base-Backbone interact. energy: -0.178 local terms energy: -412.348444 where: bonds (distance) C4'-P energy: -93.298 bonds (distance) P-C4' energy: -121.751 flat angles C4'-P-C4' energy: -117.216 flat angles P-C4'-P energy: -72.043 tors. eta vs tors. theta energy: -8.041 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: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -685.436935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.436935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.436935 (E_RNA) where: Base-Base interactions energy: -335.075 where: short stacking energy: -221.217 Base-Backbone interact. energy: -4.926 local terms energy: -345.435435 where: bonds (distance) C4'-P energy: -103.322 bonds (distance) P-C4' energy: -87.635 flat angles C4'-P-C4' energy: -96.175 flat angles P-C4'-P energy: -52.194 tors. eta vs tors. theta energy: -6.109 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: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1766.181995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.181995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.181995 (E_RNA) where: Base-Base interactions energy: -1123.264 where: short stacking energy: -540.513 Base-Backbone interact. energy: -3.417 local terms energy: -639.500766 where: bonds (distance) C4'-P energy: -128.436 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -135.919 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1647.978251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.978251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.978251 (E_RNA) where: Base-Base interactions energy: -1036.709 where: short stacking energy: -500.610 Base-Backbone interact. energy: -2.710 local terms energy: -608.559262 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -131.029 flat angles C4'-P-C4' energy: -135.365 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -137.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1569.813628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.813628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.813628 (E_RNA) where: Base-Base interactions energy: -980.123 where: short stacking energy: -505.149 Base-Backbone interact. energy: -2.484 local terms energy: -587.206673 where: bonds (distance) C4'-P energy: -136.788 bonds (distance) P-C4' energy: -129.710 flat angles C4'-P-C4' energy: -128.163 flat angles P-C4'-P energy: -66.002 tors. eta vs tors. theta energy: -126.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1565.383585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.383585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.383585 (E_RNA) where: Base-Base interactions energy: -1012.645 where: short stacking energy: -479.063 Base-Backbone interact. energy: -0.857 local terms energy: -551.881728 where: bonds (distance) C4'-P energy: -125.736 bonds (distance) P-C4' energy: -126.921 flat angles C4'-P-C4' energy: -124.363 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: -98.198 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: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1488.035505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.035505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.035505 (E_RNA) where: Base-Base interactions energy: -963.309 where: short stacking energy: -464.601 Base-Backbone interact. energy: -0.211 local terms energy: -524.515180 where: bonds (distance) C4'-P energy: -114.018 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -79.813 tors. eta vs tors. theta energy: -86.385 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: 3 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1311.266485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.266485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.266485 (E_RNA) where: Base-Base interactions energy: -821.913 where: short stacking energy: -384.627 Base-Backbone interact. energy: 4.377 local terms energy: -493.731287 where: bonds (distance) C4'-P energy: -108.526 bonds (distance) P-C4' energy: -128.017 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -73.571 tors. eta vs tors. theta energy: -77.717 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: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1159.724159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.724159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.724159 (E_RNA) where: Base-Base interactions energy: -688.143 where: short stacking energy: -333.625 Base-Backbone interact. energy: 2.115 local terms energy: -473.695844 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -112.389 flat angles C4'-P-C4' energy: -108.645 flat angles P-C4'-P energy: -80.066 tors. eta vs tors. theta energy: -54.003 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: 2 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -930.059443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.059443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.059443 (E_RNA) where: Base-Base interactions energy: -509.192 where: short stacking energy: -288.511 Base-Backbone interact. energy: 2.842 local terms energy: -423.709148 where: bonds (distance) C4'-P energy: -108.028 bonds (distance) P-C4' energy: -126.984 flat angles C4'-P-C4' energy: -88.593 flat angles P-C4'-P energy: -67.149 tors. eta vs tors. theta energy: -32.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -792.436573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.436573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.436573 (E_RNA) where: Base-Base interactions energy: -403.373 where: short stacking energy: -238.683 Base-Backbone interact. energy: -0.584 local terms energy: -388.478906 where: bonds (distance) C4'-P energy: -107.309 bonds (distance) P-C4' energy: -118.853 flat angles C4'-P-C4' energy: -92.161 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -18.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -612.985705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.985705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.985705 (E_RNA) where: Base-Base interactions energy: -241.033 where: short stacking energy: -170.235 Base-Backbone interact. energy: 0.533 local terms energy: -372.486040 where: bonds (distance) C4'-P energy: -119.764 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -80.568 flat angles P-C4'-P energy: -61.216 tors. eta vs tors. theta energy: 4.457 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: 20 Temperature: 0.900000 Total energy: -1752.868532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.868532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.868532 (E_RNA) where: Base-Base interactions energy: -1162.606 where: short stacking energy: -498.317 Base-Backbone interact. energy: 0.035 local terms energy: -590.297859 where: bonds (distance) C4'-P energy: -131.395 bonds (distance) P-C4' energy: -144.231 flat angles C4'-P-C4' energy: -126.269 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -115.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1698.038245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.038245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.038245 (E_RNA) where: Base-Base interactions energy: -1107.456 where: short stacking energy: -544.076 Base-Backbone interact. energy: -2.434 local terms energy: -588.148011 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -125.396 flat angles C4'-P-C4' energy: -135.840 flat angles P-C4'-P energy: -86.357 tors. eta vs tors. theta energy: -124.903 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: 3, replica: 10 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1658.785226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.785226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.785226 (E_RNA) where: Base-Base interactions energy: -1092.103 where: short stacking energy: -531.076 Base-Backbone interact. energy: -2.590 local terms energy: -564.091840 where: bonds (distance) C4'-P energy: -106.085 bonds (distance) P-C4' energy: -129.784 flat angles C4'-P-C4' energy: -126.856 flat angles P-C4'-P energy: -75.858 tors. eta vs tors. theta energy: -125.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1538.334318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.334318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.334318 (E_RNA) where: Base-Base interactions energy: -987.027 where: short stacking energy: -486.026 Base-Backbone interact. energy: -2.875 local terms energy: -548.432105 where: bonds (distance) C4'-P energy: -107.477 bonds (distance) P-C4' energy: -131.475 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -113.429 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: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1530.821969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.821969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.821969 (E_RNA) where: Base-Base interactions energy: -998.910 where: short stacking energy: -449.005 Base-Backbone interact. energy: -0.369 local terms energy: -531.542820 where: bonds (distance) C4'-P energy: -115.387 bonds (distance) P-C4' energy: -119.692 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -74.236 tors. eta vs tors. theta energy: -101.571 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: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1321.649627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.649627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.649627 (E_RNA) where: Base-Base interactions energy: -846.029 where: short stacking energy: -417.918 Base-Backbone interact. energy: 3.047 local terms energy: -478.667093 where: bonds (distance) C4'-P energy: -111.658 bonds (distance) P-C4' energy: -99.747 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -85.393 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: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1117.732247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.732247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.732247 (E_RNA) where: Base-Base interactions energy: -642.506 where: short stacking energy: -347.366 Base-Backbone interact. energy: -0.166 local terms energy: -475.060344 where: bonds (distance) C4'-P energy: -112.423 bonds (distance) P-C4' energy: -119.241 flat angles C4'-P-C4' energy: -113.269 flat angles P-C4'-P energy: -67.385 tors. eta vs tors. theta energy: -62.743 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: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -904.150783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.150783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.150783 (E_RNA) where: Base-Base interactions energy: -475.947 where: short stacking energy: -269.695 Base-Backbone interact. energy: 2.988 local terms energy: -431.191689 where: bonds (distance) C4'-P energy: -103.755 bonds (distance) P-C4' energy: -124.037 flat angles C4'-P-C4' energy: -119.844 flat angles P-C4'-P energy: -56.309 tors. eta vs tors. theta energy: -27.246 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: 20 Temperature: 1.300000 Total energy: -771.783461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.783461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.783461 (E_RNA) where: Base-Base interactions energy: -405.813 where: short stacking energy: -234.378 Base-Backbone interact. energy: 0.964 local terms energy: -366.935126 where: bonds (distance) C4'-P energy: -96.136 bonds (distance) P-C4' energy: -118.603 flat angles C4'-P-C4' energy: -97.651 flat angles P-C4'-P energy: -51.921 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -625.762128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.762128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.762128 (E_RNA) where: Base-Base interactions energy: -292.195 where: short stacking energy: -200.101 Base-Backbone interact. energy: 9.083 local terms energy: -342.650015 where: bonds (distance) C4'-P energy: -95.426 bonds (distance) P-C4' energy: -102.349 flat angles C4'-P-C4' energy: -100.196 flat angles P-C4'-P energy: -60.543 tors. eta vs tors. theta energy: 15.865 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: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1780.539617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.539617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.539617 (E_RNA) where: Base-Base interactions energy: -1186.257 where: short stacking energy: -564.592 Base-Backbone interact. energy: -5.657 local terms energy: -588.625740 where: bonds (distance) C4'-P energy: -121.998 bonds (distance) P-C4' energy: -135.557 flat angles C4'-P-C4' energy: -139.545 flat angles P-C4'-P energy: -70.218 tors. eta vs tors. theta energy: -121.307 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: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1681.727457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.727457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.727457 (E_RNA) where: Base-Base interactions energy: -1098.946 where: short stacking energy: -515.510 Base-Backbone interact. energy: -0.692 local terms energy: -582.089311 where: bonds (distance) C4'-P energy: -116.374 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -131.611 flat angles P-C4'-P energy: -87.388 tors. eta vs tors. theta energy: -121.560 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: 10 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1616.174333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.174333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.174333 (E_RNA) where: Base-Base interactions energy: -1049.364 where: short stacking energy: -494.081 Base-Backbone interact. energy: -1.925 local terms energy: -564.884487 where: bonds (distance) C4'-P energy: -108.093 bonds (distance) P-C4' energy: -124.429 flat angles C4'-P-C4' energy: -128.529 flat angles P-C4'-P energy: -85.128 tors. eta vs tors. theta energy: -118.705 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: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1580.799293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.799293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.799293 (E_RNA) where: Base-Base interactions energy: -1013.306 where: short stacking energy: -459.355 Base-Backbone interact. energy: 0.883 local terms energy: -568.376714 where: bonds (distance) C4'-P energy: -123.648 bonds (distance) P-C4' energy: -122.600 flat angles C4'-P-C4' energy: -126.960 flat angles P-C4'-P energy: -83.975 tors. eta vs tors. theta energy: -111.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1474.705519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.705519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.705519 (E_RNA) where: Base-Base interactions energy: -969.454 where: short stacking energy: -429.816 Base-Backbone interact. energy: -4.171 local terms energy: -501.080327 where: bonds (distance) C4'-P energy: -118.446 bonds (distance) P-C4' energy: -114.606 flat angles C4'-P-C4' energy: -113.515 flat angles P-C4'-P energy: -56.322 tors. eta vs tors. theta energy: -98.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1221.119543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.119543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.119543 (E_RNA) where: Base-Base interactions energy: -739.882 where: short stacking energy: -374.816 Base-Backbone interact. energy: -0.388 local terms energy: -480.849881 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -115.874 flat angles C4'-P-C4' energy: -121.615 flat angles P-C4'-P energy: -65.213 tors. eta vs tors. theta energy: -58.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1189.709047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.709047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.709047 (E_RNA) where: Base-Base interactions energy: -741.490 where: short stacking energy: -337.140 Base-Backbone interact. energy: -1.325 local terms energy: -446.893979 where: bonds (distance) C4'-P energy: -99.275 bonds (distance) P-C4' energy: -120.036 flat angles C4'-P-C4' energy: -124.697 flat angles P-C4'-P energy: -64.909 tors. eta vs tors. theta energy: -37.977 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: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -970.160105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.160105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.160105 (E_RNA) where: Base-Base interactions energy: -576.658 where: short stacking energy: -301.047 Base-Backbone interact. energy: 7.797 local terms energy: -401.299186 where: bonds (distance) C4'-P energy: -116.234 bonds (distance) P-C4' energy: -102.885 flat angles C4'-P-C4' energy: -100.238 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -30.735 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: 21 Temperature: 1.300000 Total energy: -808.899953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.899953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.899953 (E_RNA) where: Base-Base interactions energy: -446.768 where: short stacking energy: -234.228 Base-Backbone interact. energy: 2.721 local terms energy: -364.852766 where: bonds (distance) C4'-P energy: -111.210 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -7.503 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: 10, replica: 5 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -689.748978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.748978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.748978 (E_RNA) where: Base-Base interactions energy: -353.983 where: short stacking energy: -226.620 Base-Backbone interact. energy: 4.358 local terms energy: -340.123983 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -102.429 flat angles C4'-P-C4' energy: -70.070 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -9.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1819.840771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.840771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.840771 (E_RNA) where: Base-Base interactions energy: -1209.158 where: short stacking energy: -572.879 Base-Backbone interact. energy: -2.594 local terms energy: -608.087885 where: bonds (distance) C4'-P energy: -132.878 bonds (distance) P-C4' energy: -110.681 flat angles C4'-P-C4' energy: -138.060 flat angles P-C4'-P energy: -92.308 tors. eta vs tors. theta energy: -134.161 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: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1726.693419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.693419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.693419 (E_RNA) where: Base-Base interactions energy: -1144.031 where: short stacking energy: -568.044 Base-Backbone interact. energy: -2.573 local terms energy: -580.089808 where: bonds (distance) C4'-P energy: -124.979 bonds (distance) P-C4' energy: -120.473 flat angles C4'-P-C4' energy: -125.245 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: -133.230 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: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1682.152538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.152538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.152538 (E_RNA) where: Base-Base interactions energy: -1101.428 where: short stacking energy: -514.351 Base-Backbone interact. energy: -2.396 local terms energy: -578.328981 where: bonds (distance) C4'-P energy: -123.551 bonds (distance) P-C4' energy: -126.646 flat angles C4'-P-C4' energy: -128.310 flat angles P-C4'-P energy: -74.914 tors. eta vs tors. theta energy: -124.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1618.027445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.027445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.027445 (E_RNA) where: Base-Base interactions energy: -1053.099 where: short stacking energy: -473.577 Base-Backbone interact. energy: -1.830 local terms energy: -563.098797 where: bonds (distance) C4'-P energy: -124.974 bonds (distance) P-C4' energy: -121.471 flat angles C4'-P-C4' energy: -127.329 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -105.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1423.637424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.637424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.637424 (E_RNA) where: Base-Base interactions energy: -924.090 where: short stacking energy: -406.700 Base-Backbone interact. energy: -5.340 local terms energy: -494.207585 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -142.245 flat angles C4'-P-C4' energy: -106.605 flat angles P-C4'-P energy: -61.607 tors. eta vs tors. theta energy: -78.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1247.527896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.527896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.527896 (E_RNA) where: Base-Base interactions energy: -764.945 where: short stacking energy: -386.555 Base-Backbone interact. energy: -0.308 local terms energy: -482.274428 where: bonds (distance) C4'-P energy: -111.697 bonds (distance) P-C4' energy: -110.505 flat angles C4'-P-C4' energy: -114.620 flat angles P-C4'-P energy: -80.407 tors. eta vs tors. theta energy: -65.045 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: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1241.426584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.426584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.426584 (E_RNA) where: Base-Base interactions energy: -780.256 where: short stacking energy: -349.260 Base-Backbone interact. energy: 0.205 local terms energy: -461.375377 where: bonds (distance) C4'-P energy: -117.495 bonds (distance) P-C4' energy: -116.357 flat angles C4'-P-C4' energy: -107.526 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -56.812 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: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -991.224921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.224921 (E_RNA) where: Base-Base interactions energy: -539.195 where: short stacking energy: -315.068 Base-Backbone interact. energy: 0.331 local terms energy: -452.360552 where: bonds (distance) C4'-P energy: -116.827 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -113.575 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -52.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -854.837259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.837259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.837259 (E_RNA) where: Base-Base interactions energy: -489.120 where: short stacking energy: -251.189 Base-Backbone interact. energy: 6.904 local terms energy: -372.622032 where: bonds (distance) C4'-P energy: -93.762 bonds (distance) P-C4' energy: -123.603 flat angles C4'-P-C4' energy: -93.558 flat angles P-C4'-P energy: -56.592 tors. eta vs tors. theta energy: -5.108 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: 10, replica: 5 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -676.314425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.314425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.314425 (E_RNA) where: Base-Base interactions energy: -308.699 where: short stacking energy: -205.830 Base-Backbone interact. energy: 2.676 local terms energy: -370.292033 where: bonds (distance) C4'-P energy: -100.770 bonds (distance) P-C4' energy: -119.331 flat angles C4'-P-C4' energy: -79.772 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -0.103 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: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1809.419169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.419169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.419169 (E_RNA) where: Base-Base interactions energy: -1194.328 where: short stacking energy: -577.482 Base-Backbone interact. energy: -2.853 local terms energy: -612.238344 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -127.479 flat angles C4'-P-C4' energy: -135.476 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -129.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1813.292883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.292883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.292883 (E_RNA) where: Base-Base interactions energy: -1165.201 where: short stacking energy: -579.406 Base-Backbone interact. energy: -3.181 local terms energy: -644.911288 where: bonds (distance) C4'-P energy: -130.854 bonds (distance) P-C4' energy: -129.542 flat angles C4'-P-C4' energy: -142.762 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -139.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1653.562608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.562608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.562608 (E_RNA) where: Base-Base interactions energy: -1102.914 where: short stacking energy: -519.152 Base-Backbone interact. energy: -1.482 local terms energy: -549.167053 where: bonds (distance) C4'-P energy: -124.939 bonds (distance) P-C4' energy: -119.148 flat angles C4'-P-C4' energy: -107.344 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -117.892 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: 4, replica: 8 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1610.388127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.388127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.388127 (E_RNA) where: Base-Base interactions energy: -1046.272 where: short stacking energy: -483.028 Base-Backbone interact. energy: 3.120 local terms energy: -567.235484 where: bonds (distance) C4'-P energy: -120.821 bonds (distance) P-C4' energy: -126.187 flat angles C4'-P-C4' energy: -125.783 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -119.031 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: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1465.439294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.439294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.439294 (E_RNA) where: Base-Base interactions energy: -943.558 where: short stacking energy: -430.024 Base-Backbone interact. energy: -4.262 local terms energy: -517.619158 where: bonds (distance) C4'-P energy: -117.350 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -102.187 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -95.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1338.174207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.174207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.174207 (E_RNA) where: Base-Base interactions energy: -828.423 where: short stacking energy: -426.007 Base-Backbone interact. energy: 3.366 local terms energy: -513.117249 where: bonds (distance) C4'-P energy: -113.598 bonds (distance) P-C4' energy: -114.703 flat angles C4'-P-C4' energy: -125.293 flat angles P-C4'-P energy: -70.576 tors. eta vs tors. theta energy: -88.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1257.804417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.804417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.804417 (E_RNA) where: Base-Base interactions energy: -787.405 where: short stacking energy: -343.735 Base-Backbone interact. energy: 2.892 local terms energy: -473.290892 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -118.014 flat angles C4'-P-C4' energy: -133.258 flat angles P-C4'-P energy: -80.810 tors. eta vs tors. theta energy: -41.418 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: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -991.083579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.083579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.083579 (E_RNA) where: Base-Base interactions energy: -592.049 where: short stacking energy: -291.307 Base-Backbone interact. energy: 2.540 local terms energy: -401.574227 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -96.992 flat angles P-C4'-P energy: -55.319 tors. eta vs tors. theta energy: -18.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -823.247101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.247101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.247101 (E_RNA) where: Base-Base interactions energy: -413.561 where: short stacking energy: -235.005 Base-Backbone interact. energy: 1.029 local terms energy: -410.715070 where: bonds (distance) C4'-P energy: -117.935 bonds (distance) P-C4' energy: -120.796 flat angles C4'-P-C4' energy: -90.158 flat angles P-C4'-P energy: -64.392 tors. eta vs tors. theta energy: -17.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -706.665760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.665760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.665760 (E_RNA) where: Base-Base interactions energy: -350.880 where: short stacking energy: -216.992 Base-Backbone interact. energy: 0.122 local terms energy: -355.907508 where: bonds (distance) C4'-P energy: -91.390 bonds (distance) P-C4' energy: -104.347 flat angles C4'-P-C4' energy: -94.356 flat angles P-C4'-P energy: -63.058 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1836.099466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.099466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.099466 (E_RNA) where: Base-Base interactions energy: -1190.245 where: short stacking energy: -566.271 Base-Backbone interact. energy: -3.396 local terms energy: -642.458777 where: bonds (distance) C4'-P energy: -125.191 bonds (distance) P-C4' energy: -134.211 flat angles C4'-P-C4' energy: -150.252 flat angles P-C4'-P energy: -88.503 tors. eta vs tors. theta energy: -144.301 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: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1711.227782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.227782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.227782 (E_RNA) where: Base-Base interactions energy: -1119.907 where: short stacking energy: -529.188 Base-Backbone interact. energy: -2.505 local terms energy: -588.815730 where: bonds (distance) C4'-P energy: -131.601 bonds (distance) P-C4' energy: -134.731 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -126.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1685.643021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.643021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.643021 (E_RNA) where: Base-Base interactions energy: -1099.052 where: short stacking energy: -534.040 Base-Backbone interact. energy: -3.157 local terms energy: -583.434600 where: bonds (distance) C4'-P energy: -125.610 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -130.898 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -122.569 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: 4, replica: 8 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1575.462595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.462595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.462595 (E_RNA) where: Base-Base interactions energy: -1010.734 where: short stacking energy: -493.796 Base-Backbone interact. energy: 0.852 local terms energy: -565.580295 where: bonds (distance) C4'-P energy: -119.292 bonds (distance) P-C4' energy: -112.195 flat angles C4'-P-C4' energy: -128.052 flat angles P-C4'-P energy: -83.319 tors. eta vs tors. theta energy: -122.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1502.340208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.340208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.340208 (E_RNA) where: Base-Base interactions energy: -951.773 where: short stacking energy: -473.129 Base-Backbone interact. energy: -4.474 local terms energy: -546.093026 where: bonds (distance) C4'-P energy: -97.564 bonds (distance) P-C4' energy: -113.684 flat angles C4'-P-C4' energy: -129.287 flat angles P-C4'-P energy: -77.819 tors. eta vs tors. theta energy: -127.739 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: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1392.196207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.196207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.196207 (E_RNA) where: Base-Base interactions energy: -877.496 where: short stacking energy: -440.751 Base-Backbone interact. energy: -3.386 local terms energy: -511.314481 where: bonds (distance) C4'-P energy: -106.371 bonds (distance) P-C4' energy: -119.609 flat angles C4'-P-C4' energy: -121.408 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -106.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1199.359534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.359534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.359534 (E_RNA) where: Base-Base interactions energy: -736.683 where: short stacking energy: -366.570 Base-Backbone interact. energy: -3.056 local terms energy: -459.620295 where: bonds (distance) C4'-P energy: -104.116 bonds (distance) P-C4' energy: -118.547 flat angles C4'-P-C4' energy: -100.554 flat angles P-C4'-P energy: -67.780 tors. eta vs tors. theta energy: -68.623 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: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -998.058284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.058284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.058284 (E_RNA) where: Base-Base interactions energy: -586.644 where: short stacking energy: -313.318 Base-Backbone interact. energy: -3.208 local terms energy: -408.206925 where: bonds (distance) C4'-P energy: -95.131 bonds (distance) P-C4' energy: -116.173 flat angles C4'-P-C4' energy: -98.432 flat angles P-C4'-P energy: -56.575 tors. eta vs tors. theta energy: -41.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -790.691556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.691556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.691556 (E_RNA) where: Base-Base interactions energy: -409.546 where: short stacking energy: -235.068 Base-Backbone interact. energy: -1.444 local terms energy: -379.702213 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -114.885 flat angles C4'-P-C4' energy: -97.368 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -679.889943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.889943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.889943 (E_RNA) where: Base-Base interactions energy: -343.948 where: short stacking energy: -224.358 Base-Backbone interact. energy: 0.702 local terms energy: -336.643672 where: bonds (distance) C4'-P energy: -76.378 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -62.945 tors. eta vs tors. theta energy: 3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1859.376439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.376439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.376439 (E_RNA) where: Base-Base interactions energy: -1212.505 where: short stacking energy: -566.449 Base-Backbone interact. energy: -0.768 local terms energy: -646.103686 where: bonds (distance) C4'-P energy: -130.445 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -135.884 flat angles P-C4'-P energy: -99.252 tors. eta vs tors. theta energy: -150.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1724.524475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.524475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.524475 (E_RNA) where: Base-Base interactions energy: -1090.968 where: short stacking energy: -549.345 Base-Backbone interact. energy: -3.836 local terms energy: -629.720032 where: bonds (distance) C4'-P energy: -121.911 bonds (distance) P-C4' energy: -137.706 flat angles C4'-P-C4' energy: -140.042 flat angles P-C4'-P energy: -98.593 tors. eta vs tors. theta energy: -131.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1636.415739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.415739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.415739 (E_RNA) where: Base-Base interactions energy: -1086.311 where: short stacking energy: -493.695 Base-Backbone interact. energy: -5.986 local terms energy: -544.119223 where: bonds (distance) C4'-P energy: -121.454 bonds (distance) P-C4' energy: -121.905 flat angles C4'-P-C4' energy: -120.157 flat angles P-C4'-P energy: -78.110 tors. eta vs tors. theta energy: -102.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1672.824371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.824371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.824371 (E_RNA) where: Base-Base interactions energy: -1110.946 where: short stacking energy: -509.619 Base-Backbone interact. energy: 0.080 local terms energy: -561.958701 where: bonds (distance) C4'-P energy: -123.056 bonds (distance) P-C4' energy: -119.459 flat angles C4'-P-C4' energy: -124.834 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -116.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1509.212801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.212801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.212801 (E_RNA) where: Base-Base interactions energy: -1002.393 where: short stacking energy: -455.508 Base-Backbone interact. energy: -2.902 local terms energy: -503.917121 where: bonds (distance) C4'-P energy: -101.002 bonds (distance) P-C4' energy: -119.842 flat angles C4'-P-C4' energy: -119.373 flat angles P-C4'-P energy: -74.477 tors. eta vs tors. theta energy: -89.223 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: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1312.052508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.052508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.052508 (E_RNA) where: Base-Base interactions energy: -831.785 where: short stacking energy: -383.168 Base-Backbone interact. energy: 0.755 local terms energy: -481.022070 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -109.899 flat angles C4'-P-C4' energy: -114.350 flat angles P-C4'-P energy: -71.831 tors. eta vs tors. theta energy: -73.262 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: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1233.330334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.330334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.330334 (E_RNA) where: Base-Base interactions energy: -776.169 where: short stacking energy: -403.199 Base-Backbone interact. energy: -2.154 local terms energy: -455.007694 where: bonds (distance) C4'-P energy: -105.538 bonds (distance) P-C4' energy: -112.247 flat angles C4'-P-C4' energy: -116.761 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: -75.183 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: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1034.293285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.293285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.293285 (E_RNA) where: Base-Base interactions energy: -620.676 where: short stacking energy: -330.743 Base-Backbone interact. energy: -1.857 local terms energy: -411.760590 where: bonds (distance) C4'-P energy: -99.738 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -97.199 flat angles P-C4'-P energy: -61.962 tors. eta vs tors. theta energy: -44.379 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: 25 Temperature: 1.300000 Total energy: -826.145230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.145230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.145230 (E_RNA) where: Base-Base interactions energy: -449.706 where: short stacking energy: -221.448 Base-Backbone interact. energy: -2.351 local terms energy: -374.087882 where: bonds (distance) C4'-P energy: -115.918 bonds (distance) P-C4' energy: -95.830 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -45.204 tors. eta vs tors. theta energy: -15.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -677.391802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.391802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.391802 (E_RNA) where: Base-Base interactions energy: -333.984 where: short stacking energy: -213.771 Base-Backbone interact. energy: -0.534 local terms energy: -342.874235 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -103.828 flat angles C4'-P-C4' energy: -101.059 flat angles P-C4'-P energy: -45.541 tors. eta vs tors. theta energy: 5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1909.626919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.626919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.626919 (E_RNA) where: Base-Base interactions energy: -1264.828 where: short stacking energy: -597.127 Base-Backbone interact. energy: -3.187 local terms energy: -641.611852 where: bonds (distance) C4'-P energy: -130.769 bonds (distance) P-C4' energy: -116.423 flat angles C4'-P-C4' energy: -144.356 flat angles P-C4'-P energy: -96.922 tors. eta vs tors. theta energy: -153.142 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: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1772.390655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.390655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.390655 (E_RNA) where: Base-Base interactions energy: -1131.495 where: short stacking energy: -544.246 Base-Backbone interact. energy: -4.477 local terms energy: -636.419327 where: bonds (distance) C4'-P energy: -124.938 bonds (distance) P-C4' energy: -138.756 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -84.455 tors. eta vs tors. theta energy: -139.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1739.934115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.934115 (E_RNA) where: Base-Base interactions energy: -1131.871 where: short stacking energy: -545.376 Base-Backbone interact. energy: -1.332 local terms energy: -606.730286 where: bonds (distance) C4'-P energy: -132.368 bonds (distance) P-C4' energy: -130.066 flat angles C4'-P-C4' energy: -133.451 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -130.120 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: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1586.059379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.059379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.059379 (E_RNA) where: Base-Base interactions energy: -997.695 where: short stacking energy: -494.672 Base-Backbone interact. energy: -2.969 local terms energy: -585.394626 where: bonds (distance) C4'-P energy: -122.894 bonds (distance) P-C4' energy: -128.111 flat angles C4'-P-C4' energy: -130.579 flat angles P-C4'-P energy: -86.555 tors. eta vs tors. theta energy: -117.254 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1532.568027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.568027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.568027 (E_RNA) where: Base-Base interactions energy: -978.873 where: short stacking energy: -460.595 Base-Backbone interact. energy: -2.348 local terms energy: -551.347460 where: bonds (distance) C4'-P energy: -126.466 bonds (distance) P-C4' energy: -121.347 flat angles C4'-P-C4' energy: -114.664 flat angles P-C4'-P energy: -81.545 tors. eta vs tors. theta energy: -107.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1323.876667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.876667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.876667 (E_RNA) where: Base-Base interactions energy: -811.277 where: short stacking energy: -414.437 Base-Backbone interact. energy: -1.650 local terms energy: -510.949639 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -117.423 flat angles C4'-P-C4' energy: -122.609 flat angles P-C4'-P energy: -84.314 tors. eta vs tors. theta energy: -81.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1289.726269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.726269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.726269 (E_RNA) where: Base-Base interactions energy: -798.615 where: short stacking energy: -398.872 Base-Backbone interact. energy: 0.623 local terms energy: -491.734012 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -125.462 flat angles C4'-P-C4' energy: -114.460 flat angles P-C4'-P energy: -61.870 tors. eta vs tors. theta energy: -74.787 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: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1054.967601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.967601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.967601 (E_RNA) where: Base-Base interactions energy: -629.838 where: short stacking energy: -306.624 Base-Backbone interact. energy: 1.022 local terms energy: -426.151745 where: bonds (distance) C4'-P energy: -101.104 bonds (distance) P-C4' energy: -109.895 flat angles C4'-P-C4' energy: -108.973 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -42.489 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: 26 Temperature: 1.300000 Total energy: -822.875948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.875948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.875948 (E_RNA) where: Base-Base interactions energy: -458.463 where: short stacking energy: -210.850 Base-Backbone interact. energy: -3.942 local terms energy: -360.471633 where: bonds (distance) C4'-P energy: -107.388 bonds (distance) P-C4' energy: -105.550 flat angles C4'-P-C4' energy: -103.889 flat angles P-C4'-P energy: -38.328 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -733.864286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.864286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.864286 (E_RNA) where: Base-Base interactions energy: -361.739 where: short stacking energy: -215.996 Base-Backbone interact. energy: 3.042 local terms energy: -375.166885 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -100.007 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -60.684 tors. eta vs tors. theta energy: -9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1879.742796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.742796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.742796 (E_RNA) where: Base-Base interactions energy: -1235.582 where: short stacking energy: -581.224 Base-Backbone interact. energy: 3.345 local terms energy: -647.505853 where: bonds (distance) C4'-P energy: -138.611 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -138.850 flat angles P-C4'-P energy: -87.466 tors. eta vs tors. theta energy: -138.782 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: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1771.669408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.669408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.669408 (E_RNA) where: Base-Base interactions energy: -1130.716 where: short stacking energy: -527.903 Base-Backbone interact. energy: -2.235 local terms energy: -638.718013 where: bonds (distance) C4'-P energy: -147.173 bonds (distance) P-C4' energy: -126.065 flat angles C4'-P-C4' energy: -143.379 flat angles P-C4'-P energy: -81.311 tors. eta vs tors. theta energy: -140.789 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: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1708.499698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.499698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.499698 (E_RNA) where: Base-Base interactions energy: -1086.231 where: short stacking energy: -507.120 Base-Backbone interact. energy: -4.436 local terms energy: -617.832244 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -127.627 flat angles C4'-P-C4' energy: -135.999 flat angles P-C4'-P energy: -88.824 tors. eta vs tors. theta energy: -139.274 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: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1538.030401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.030401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.030401 (E_RNA) where: Base-Base interactions energy: -1000.759 where: short stacking energy: -496.642 Base-Backbone interact. energy: -3.068 local terms energy: -534.203341 where: bonds (distance) C4'-P energy: -116.292 bonds (distance) P-C4' energy: -114.165 flat angles C4'-P-C4' energy: -134.809 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: -104.264 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: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1485.177253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.177253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.177253 (E_RNA) where: Base-Base interactions energy: -962.631 where: short stacking energy: -484.996 Base-Backbone interact. energy: -0.452 local terms energy: -522.094190 where: bonds (distance) C4'-P energy: -113.338 bonds (distance) P-C4' energy: -108.941 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -115.467 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: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1319.847690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.847690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.847690 (E_RNA) where: Base-Base interactions energy: -797.897 where: short stacking energy: -416.103 Base-Backbone interact. energy: -0.474 local terms energy: -521.476058 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -118.618 flat angles P-C4'-P energy: -91.728 tors. eta vs tors. theta energy: -81.029 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: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1229.847546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.847546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.847546 (E_RNA) where: Base-Base interactions energy: -777.200 where: short stacking energy: -334.755 Base-Backbone interact. energy: -1.528 local terms energy: -451.119461 where: bonds (distance) C4'-P energy: -99.346 bonds (distance) P-C4' energy: -119.022 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -71.739 tors. eta vs tors. theta energy: -59.325 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: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1089.417408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.417408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.417408 (E_RNA) where: Base-Base interactions energy: -654.807 where: short stacking energy: -352.873 Base-Backbone interact. energy: -2.912 local terms energy: -431.698341 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -105.378 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -58.961 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: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -823.220020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.220020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.220020 (E_RNA) where: Base-Base interactions energy: -459.387 where: short stacking energy: -230.929 Base-Backbone interact. energy: 2.292 local terms energy: -366.124837 where: bonds (distance) C4'-P energy: -94.774 bonds (distance) P-C4' energy: -118.917 flat angles C4'-P-C4' energy: -97.304 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -716.002511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.002511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.002511 (E_RNA) where: Base-Base interactions energy: -359.942 where: short stacking energy: -192.333 Base-Backbone interact. energy: -1.896 local terms energy: -354.164421 where: bonds (distance) C4'-P energy: -121.740 bonds (distance) P-C4' energy: -89.797 flat angles C4'-P-C4' energy: -94.699 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1914.450526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.450526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.450526 (E_RNA) where: Base-Base interactions energy: -1276.491 where: short stacking energy: -603.491 Base-Backbone interact. energy: -3.179 local terms energy: -634.780569 where: bonds (distance) C4'-P energy: -127.720 bonds (distance) P-C4' energy: -135.619 flat angles C4'-P-C4' energy: -135.496 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -153.176 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: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1802.166164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.166164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.166164 (E_RNA) where: Base-Base interactions energy: -1177.553 where: short stacking energy: -552.328 Base-Backbone interact. energy: -0.361 local terms energy: -624.252333 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -141.186 flat angles C4'-P-C4' energy: -135.701 flat angles P-C4'-P energy: -87.889 tors. eta vs tors. theta energy: -145.791 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: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1777.022924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.022924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.022924 (E_RNA) where: Base-Base interactions energy: -1189.470 where: short stacking energy: -517.550 Base-Backbone interact. energy: -2.905 local terms energy: -584.648099 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -129.443 flat angles C4'-P-C4' energy: -118.634 flat angles P-C4'-P energy: -82.262 tors. eta vs tors. theta energy: -120.440 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1578.001153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.001153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.001153 (E_RNA) where: Base-Base interactions energy: -1014.669 where: short stacking energy: -480.071 Base-Backbone interact. energy: -3.507 local terms energy: -559.825059 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -121.038 flat angles C4'-P-C4' energy: -121.467 flat angles P-C4'-P energy: -79.631 tors. eta vs tors. theta energy: -119.319 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: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1500.405401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.405401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.405401 (E_RNA) where: Base-Base interactions energy: -984.859 where: short stacking energy: -427.636 Base-Backbone interact. energy: -0.596 local terms energy: -514.949725 where: bonds (distance) C4'-P energy: -103.369 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -63.774 tors. eta vs tors. theta energy: -96.425 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: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1321.047959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.047959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.047959 (E_RNA) where: Base-Base interactions energy: -839.999 where: short stacking energy: -422.156 Base-Backbone interact. energy: 5.347 local terms energy: -486.396105 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -114.398 flat angles C4'-P-C4' energy: -115.328 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -79.131 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: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1261.331497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.331497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.331497 (E_RNA) where: Base-Base interactions energy: -803.253 where: short stacking energy: -354.657 Base-Backbone interact. energy: -4.406 local terms energy: -453.672650 where: bonds (distance) C4'-P energy: -101.324 bonds (distance) P-C4' energy: -118.904 flat angles C4'-P-C4' energy: -122.349 flat angles P-C4'-P energy: -64.755 tors. eta vs tors. theta energy: -46.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1042.839305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.839305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.839305 (E_RNA) where: Base-Base interactions energy: -605.930 where: short stacking energy: -315.057 Base-Backbone interact. energy: 7.088 local terms energy: -443.997568 where: bonds (distance) C4'-P energy: -111.973 bonds (distance) P-C4' energy: -119.881 flat angles C4'-P-C4' energy: -106.716 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -38.930 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: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -832.857143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.857143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.857143 (E_RNA) where: Base-Base interactions energy: -489.587 where: short stacking energy: -231.972 Base-Backbone interact. energy: -2.077 local terms energy: -341.193031 where: bonds (distance) C4'-P energy: -86.631 bonds (distance) P-C4' energy: -110.598 flat angles C4'-P-C4' energy: -91.122 flat angles P-C4'-P energy: -48.803 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: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -696.056156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.056156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.056156 (E_RNA) where: Base-Base interactions energy: -349.354 where: short stacking energy: -198.601 Base-Backbone interact. energy: -1.246 local terms energy: -345.455942 where: bonds (distance) C4'-P energy: -94.225 bonds (distance) P-C4' energy: -99.693 flat angles C4'-P-C4' energy: -103.734 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: 3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1928.431426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.431426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.431426 (E_RNA) where: Base-Base interactions energy: -1288.779 where: short stacking energy: -588.974 Base-Backbone interact. energy: -4.280 local terms energy: -635.371755 where: bonds (distance) C4'-P energy: -112.652 bonds (distance) P-C4' energy: -145.499 flat angles C4'-P-C4' energy: -131.142 flat angles P-C4'-P energy: -96.409 tors. eta vs tors. theta energy: -149.670 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: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1767.830706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.830706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.830706 (E_RNA) where: Base-Base interactions energy: -1166.723 where: short stacking energy: -540.625 Base-Backbone interact. energy: -0.635 local terms energy: -600.473301 where: bonds (distance) C4'-P energy: -134.742 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -134.317 flat angles P-C4'-P energy: -79.452 tors. eta vs tors. theta energy: -133.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1793.358289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.358289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.358289 (E_RNA) where: Base-Base interactions energy: -1203.648 where: short stacking energy: -516.705 Base-Backbone interact. energy: -5.233 local terms energy: -584.477108 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -133.901 flat angles P-C4'-P energy: -97.756 tors. eta vs tors. theta energy: -104.333 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: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1576.269318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.269318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.269318 (E_RNA) where: Base-Base interactions energy: -1048.617 where: short stacking energy: -499.790 Base-Backbone interact. energy: 0.375 local terms energy: -528.026838 where: bonds (distance) C4'-P energy: -113.744 bonds (distance) P-C4' energy: -106.024 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -111.066 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1477.829049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.829049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.829049 (E_RNA) where: Base-Base interactions energy: -955.281 where: short stacking energy: -436.798 Base-Backbone interact. energy: -3.788 local terms energy: -518.760683 where: bonds (distance) C4'-P energy: -109.627 bonds (distance) P-C4' energy: -111.066 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -82.680 tors. eta vs tors. theta energy: -90.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1364.265932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.265932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.265932 (E_RNA) where: Base-Base interactions energy: -852.921 where: short stacking energy: -405.273 Base-Backbone interact. energy: -4.332 local terms energy: -507.012837 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -102.576 flat angles C4'-P-C4' energy: -143.350 flat angles P-C4'-P energy: -76.022 tors. eta vs tors. theta energy: -74.752 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: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1270.683405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.683405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.683405 (E_RNA) where: Base-Base interactions energy: -780.870 where: short stacking energy: -361.550 Base-Backbone interact. energy: -0.887 local terms energy: -488.926288 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -118.833 flat angles C4'-P-C4' energy: -113.760 flat angles P-C4'-P energy: -86.017 tors. eta vs tors. theta energy: -63.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1089.559265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.559265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.559265 (E_RNA) where: Base-Base interactions energy: -658.111 where: short stacking energy: -315.420 Base-Backbone interact. energy: 0.954 local terms energy: -432.402381 where: bonds (distance) C4'-P energy: -107.664 bonds (distance) P-C4' energy: -100.821 flat angles C4'-P-C4' energy: -106.901 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: -52.481 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: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -868.693466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.693466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.693466 (E_RNA) where: Base-Base interactions energy: -495.352 where: short stacking energy: -267.506 Base-Backbone interact. energy: -0.409 local terms energy: -372.933321 where: bonds (distance) C4'-P energy: -94.640 bonds (distance) P-C4' energy: -106.621 flat angles C4'-P-C4' energy: -104.268 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -22.834 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: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -710.213745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.213745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.213745 (E_RNA) where: Base-Base interactions energy: -372.203 where: short stacking energy: -207.253 Base-Backbone interact. energy: 2.152 local terms energy: -340.162739 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -110.440 flat angles C4'-P-C4' energy: -83.881 flat angles P-C4'-P energy: -55.477 tors. eta vs tors. theta energy: -2.677 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: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1964.384444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.384444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.384444 (E_RNA) where: Base-Base interactions energy: -1315.358 where: short stacking energy: -604.826 Base-Backbone interact. energy: -5.830 local terms energy: -643.196503 where: bonds (distance) C4'-P energy: -117.847 bonds (distance) P-C4' energy: -131.821 flat angles C4'-P-C4' energy: -137.531 flat angles P-C4'-P energy: -96.324 tors. eta vs tors. theta energy: -159.673 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: 30 Temperature: 0.950000 Total energy: -1841.444781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.444781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.444781 (E_RNA) where: Base-Base interactions energy: -1202.384 where: short stacking energy: -541.251 Base-Backbone interact. energy: -3.665 local terms energy: -635.395742 where: bonds (distance) C4'-P energy: -139.736 bonds (distance) P-C4' energy: -133.666 flat angles C4'-P-C4' energy: -137.996 flat angles P-C4'-P energy: -88.719 tors. eta vs tors. theta energy: -135.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1781.484548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.484548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.484548 (E_RNA) where: Base-Base interactions energy: -1197.374 where: short stacking energy: -528.144 Base-Backbone interact. energy: -5.115 local terms energy: -578.996339 where: bonds (distance) C4'-P energy: -121.383 bonds (distance) P-C4' energy: -129.336 flat angles C4'-P-C4' energy: -134.062 flat angles P-C4'-P energy: -62.762 tors. eta vs tors. theta energy: -131.453 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: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1584.840310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.840310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.840310 (E_RNA) where: Base-Base interactions energy: -1041.578 where: short stacking energy: -493.913 Base-Backbone interact. energy: -2.359 local terms energy: -540.902734 where: bonds (distance) C4'-P energy: -108.448 bonds (distance) P-C4' energy: -127.305 flat angles C4'-P-C4' energy: -123.015 flat angles P-C4'-P energy: -72.509 tors. eta vs tors. theta energy: -109.624 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: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1433.988230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.988230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.988230 (E_RNA) where: Base-Base interactions energy: -910.647 where: short stacking energy: -423.180 Base-Backbone interact. energy: 0.596 local terms energy: -523.937181 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -111.849 flat angles C4'-P-C4' energy: -113.826 flat angles P-C4'-P energy: -100.552 tors. eta vs tors. theta energy: -82.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1484.364611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.364611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.364611 (E_RNA) where: Base-Base interactions energy: -946.298 where: short stacking energy: -454.883 Base-Backbone interact. energy: -2.184 local terms energy: -535.882536 where: bonds (distance) C4'-P energy: -124.373 bonds (distance) P-C4' energy: -112.599 flat angles C4'-P-C4' energy: -130.849 flat angles P-C4'-P energy: -73.909 tors. eta vs tors. theta energy: -94.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1309.522613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.522613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.522613 (E_RNA) where: Base-Base interactions energy: -840.056 where: short stacking energy: -355.515 Base-Backbone interact. energy: -2.937 local terms energy: -466.529362 where: bonds (distance) C4'-P energy: -103.785 bonds (distance) P-C4' energy: -119.525 flat angles C4'-P-C4' energy: -111.263 flat angles P-C4'-P energy: -66.400 tors. eta vs tors. theta energy: -65.557 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: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1142.240391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.240391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.240391 (E_RNA) where: Base-Base interactions energy: -720.006 where: short stacking energy: -329.763 Base-Backbone interact. energy: 3.701 local terms energy: -425.935166 where: bonds (distance) C4'-P energy: -107.810 bonds (distance) P-C4' energy: -133.415 flat angles C4'-P-C4' energy: -109.003 flat angles P-C4'-P energy: -47.183 tors. eta vs tors. theta energy: -28.523 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -819.348825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.348825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.348825 (E_RNA) where: Base-Base interactions energy: -445.505 where: short stacking energy: -255.728 Base-Backbone interact. energy: 4.750 local terms energy: -378.593880 where: bonds (distance) C4'-P energy: -78.989 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -110.590 flat angles P-C4'-P energy: -60.676 tors. eta vs tors. theta energy: -20.593 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: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -685.772782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.772782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.772782 (E_RNA) where: Base-Base interactions energy: -317.319 where: short stacking energy: -189.690 Base-Backbone interact. energy: -1.693 local terms energy: -366.761064 where: bonds (distance) C4'-P energy: -88.113 bonds (distance) P-C4' energy: -116.999 flat angles C4'-P-C4' energy: -102.410 flat angles P-C4'-P energy: -57.902 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: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2007.716290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.716290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.716290 (E_RNA) where: Base-Base interactions energy: -1374.332 where: short stacking energy: -600.153 Base-Backbone interact. energy: -0.758 local terms energy: -632.626310 where: bonds (distance) C4'-P energy: -117.194 bonds (distance) P-C4' energy: -125.772 flat angles C4'-P-C4' energy: -139.925 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -155.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1813.038538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.038538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.038538 (E_RNA) where: Base-Base interactions energy: -1204.150 where: short stacking energy: -544.915 Base-Backbone interact. energy: -2.421 local terms energy: -606.467505 where: bonds (distance) C4'-P energy: -129.490 bonds (distance) P-C4' energy: -115.230 flat angles C4'-P-C4' energy: -144.312 flat angles P-C4'-P energy: -91.559 tors. eta vs tors. theta energy: -125.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1761.340886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.340886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.340886 (E_RNA) where: Base-Base interactions energy: -1174.352 where: short stacking energy: -515.173 Base-Backbone interact. energy: -0.359 local terms energy: -586.630141 where: bonds (distance) C4'-P energy: -122.148 bonds (distance) P-C4' energy: -117.576 flat angles C4'-P-C4' energy: -128.077 flat angles P-C4'-P energy: -92.424 tors. eta vs tors. theta energy: -126.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1521.660425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.660425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.660425 (E_RNA) where: Base-Base interactions energy: -968.516 where: short stacking energy: -461.889 Base-Backbone interact. energy: -6.464 local terms energy: -546.679662 where: bonds (distance) C4'-P energy: -115.605 bonds (distance) P-C4' energy: -131.177 flat angles C4'-P-C4' energy: -128.314 flat angles P-C4'-P energy: -85.569 tors. eta vs tors. theta energy: -86.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1528.727874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.727874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.727874 (E_RNA) where: Base-Base interactions energy: -1003.118 where: short stacking energy: -455.508 Base-Backbone interact. energy: 1.911 local terms energy: -527.520581 where: bonds (distance) C4'-P energy: -105.196 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -122.051 flat angles P-C4'-P energy: -78.898 tors. eta vs tors. theta energy: -101.597 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: 3 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1449.219273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.219273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.219273 (E_RNA) where: Base-Base interactions energy: -911.846 where: short stacking energy: -422.670 Base-Backbone interact. energy: 1.481 local terms energy: -538.854003 where: bonds (distance) C4'-P energy: -113.019 bonds (distance) P-C4' energy: -119.141 flat angles C4'-P-C4' energy: -126.914 flat angles P-C4'-P energy: -75.412 tors. eta vs tors. theta energy: -104.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1322.767267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.767267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.767267 (E_RNA) where: Base-Base interactions energy: -865.676 where: short stacking energy: -413.086 Base-Backbone interact. energy: -1.452 local terms energy: -455.639455 where: bonds (distance) C4'-P energy: -105.207 bonds (distance) P-C4' energy: -107.057 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -65.013 tors. eta vs tors. theta energy: -74.023 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: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1184.668170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.668170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.668170 (E_RNA) where: Base-Base interactions energy: -723.465 where: short stacking energy: -345.019 Base-Backbone interact. energy: -3.122 local terms energy: -458.080916 where: bonds (distance) C4'-P energy: -114.891 bonds (distance) P-C4' energy: -108.893 flat angles C4'-P-C4' energy: -106.735 flat angles P-C4'-P energy: -67.936 tors. eta vs tors. theta energy: -59.627 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -848.752062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.752062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.752062 (E_RNA) where: Base-Base interactions energy: -476.196 where: short stacking energy: -261.737 Base-Backbone interact. energy: 1.070 local terms energy: -373.625792 where: bonds (distance) C4'-P energy: -94.505 bonds (distance) P-C4' energy: -108.241 flat angles C4'-P-C4' energy: -95.547 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -29.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -687.818656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.818656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.818656 (E_RNA) where: Base-Base interactions energy: -337.896 where: short stacking energy: -201.505 Base-Backbone interact. energy: 3.132 local terms energy: -353.054795 where: bonds (distance) C4'-P energy: -99.157 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -80.097 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -4.638 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: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2012.544873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.544873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.544873 (E_RNA) where: Base-Base interactions energy: -1346.094 where: short stacking energy: -578.544 Base-Backbone interact. energy: 1.139 local terms energy: -667.589877 where: bonds (distance) C4'-P energy: -137.922 bonds (distance) P-C4' energy: -137.516 flat angles C4'-P-C4' energy: -139.728 flat angles P-C4'-P energy: -103.033 tors. eta vs tors. theta energy: -149.391 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: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1877.875483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.875483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.875483 (E_RNA) where: Base-Base interactions energy: -1249.243 where: short stacking energy: -555.644 Base-Backbone interact. energy: -2.727 local terms energy: -625.905410 where: bonds (distance) C4'-P energy: -126.325 bonds (distance) P-C4' energy: -118.255 flat angles C4'-P-C4' energy: -144.920 flat angles P-C4'-P energy: -97.650 tors. eta vs tors. theta energy: -138.755 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: 3, replica: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1772.657423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.657423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.657423 (E_RNA) where: Base-Base interactions energy: -1177.901 where: short stacking energy: -544.023 Base-Backbone interact. energy: 0.037 local terms energy: -594.793721 where: bonds (distance) C4'-P energy: -103.883 bonds (distance) P-C4' energy: -121.956 flat angles C4'-P-C4' energy: -139.389 flat angles P-C4'-P energy: -82.755 tors. eta vs tors. theta energy: -146.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1528.290414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.290414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.290414 (E_RNA) where: Base-Base interactions energy: -953.099 where: short stacking energy: -479.112 Base-Backbone interact. energy: -2.559 local terms energy: -572.632561 where: bonds (distance) C4'-P energy: -118.772 bonds (distance) P-C4' energy: -132.212 flat angles C4'-P-C4' energy: -128.682 flat angles P-C4'-P energy: -82.284 tors. eta vs tors. theta energy: -110.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1564.653779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.653779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.653779 (E_RNA) where: Base-Base interactions energy: -1023.961 where: short stacking energy: -447.530 Base-Backbone interact. energy: -0.748 local terms energy: -539.945524 where: bonds (distance) C4'-P energy: -109.060 bonds (distance) P-C4' energy: -118.712 flat angles C4'-P-C4' energy: -130.305 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -103.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1440.736447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.736447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.736447 (E_RNA) where: Base-Base interactions energy: -907.904 where: short stacking energy: -445.482 Base-Backbone interact. energy: -1.331 local terms energy: -531.500598 where: bonds (distance) C4'-P energy: -108.919 bonds (distance) P-C4' energy: -124.032 flat angles C4'-P-C4' energy: -121.111 flat angles P-C4'-P energy: -72.100 tors. eta vs tors. theta energy: -105.339 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: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1424.879407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.879407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.879407 (E_RNA) where: Base-Base interactions energy: -912.325 where: short stacking energy: -413.090 Base-Backbone interact. energy: -3.409 local terms energy: -509.145533 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -105.267 flat angles C4'-P-C4' energy: -119.575 flat angles P-C4'-P energy: -68.552 tors. eta vs tors. theta energy: -94.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1161.857331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.857331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.857331 (E_RNA) where: Base-Base interactions energy: -701.168 where: short stacking energy: -332.798 Base-Backbone interact. energy: 2.668 local terms energy: -463.356875 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -105.437 flat angles C4'-P-C4' energy: -112.491 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -62.219 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: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -917.772629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.772629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.772629 (E_RNA) where: Base-Base interactions energy: -571.971 where: short stacking energy: -278.787 Base-Backbone interact. energy: -0.802 local terms energy: -344.999498 where: bonds (distance) C4'-P energy: -99.125 bonds (distance) P-C4' energy: -95.936 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -35.279 tors. eta vs tors. theta energy: -0.984 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: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -672.197687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.197687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.197687 (E_RNA) where: Base-Base interactions energy: -327.615 where: short stacking energy: -205.935 Base-Backbone interact. energy: 4.384 local terms energy: -348.967106 where: bonds (distance) C4'-P energy: -92.925 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -83.775 flat angles P-C4'-P energy: -61.834 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2031.612157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.612157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.612157 (E_RNA) where: Base-Base interactions energy: -1356.379 where: short stacking energy: -614.728 Base-Backbone interact. energy: -5.751 local terms energy: -669.482165 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -130.497 flat angles C4'-P-C4' energy: -154.433 flat angles P-C4'-P energy: -92.804 tors. eta vs tors. theta energy: -147.979 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: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1945.330090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.330090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.330090 (E_RNA) where: Base-Base interactions energy: -1318.818 where: short stacking energy: -594.184 Base-Backbone interact. energy: -4.351 local terms energy: -622.160753 where: bonds (distance) C4'-P energy: -125.543 bonds (distance) P-C4' energy: -122.102 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -97.015 tors. eta vs tors. theta energy: -138.426 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: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1816.751766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.751766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.751766 (E_RNA) where: Base-Base interactions energy: -1199.915 where: short stacking energy: -527.360 Base-Backbone interact. energy: -0.059 local terms energy: -616.777754 where: bonds (distance) C4'-P energy: -129.130 bonds (distance) P-C4' energy: -142.285 flat angles C4'-P-C4' energy: -115.199 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -136.080 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: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1688.049859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.049859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.049859 (E_RNA) where: Base-Base interactions energy: -1106.557 where: short stacking energy: -531.704 Base-Backbone interact. energy: -2.110 local terms energy: -579.383597 where: bonds (distance) C4'-P energy: -126.901 bonds (distance) P-C4' energy: -135.377 flat angles C4'-P-C4' energy: -123.179 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -126.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1446.009811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.009811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.009811 (E_RNA) where: Base-Base interactions energy: -908.617 where: short stacking energy: -432.504 Base-Backbone interact. energy: -1.446 local terms energy: -535.947290 where: bonds (distance) C4'-P energy: -122.076 bonds (distance) P-C4' energy: -131.625 flat angles C4'-P-C4' energy: -119.757 flat angles P-C4'-P energy: -60.808 tors. eta vs tors. theta energy: -101.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1407.997343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.997343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.997343 (E_RNA) where: Base-Base interactions energy: -893.116 where: short stacking energy: -462.501 Base-Backbone interact. energy: -3.115 local terms energy: -511.766226 where: bonds (distance) C4'-P energy: -100.027 bonds (distance) P-C4' energy: -128.437 flat angles C4'-P-C4' energy: -121.164 flat angles P-C4'-P energy: -62.946 tors. eta vs tors. theta energy: -99.192 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: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1414.554691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.554691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.554691 (E_RNA) where: Base-Base interactions energy: -922.608 where: short stacking energy: -434.010 Base-Backbone interact. energy: -2.707 local terms energy: -489.239881 where: bonds (distance) C4'-P energy: -98.631 bonds (distance) P-C4' energy: -117.405 flat angles C4'-P-C4' energy: -110.563 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -91.472 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: 33 Temperature: 1.250000 Total energy: -1183.755363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.755363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.755363 (E_RNA) where: Base-Base interactions energy: -719.097 where: short stacking energy: -308.781 Base-Backbone interact. energy: -0.807 local terms energy: -463.851095 where: bonds (distance) C4'-P energy: -105.812 bonds (distance) P-C4' energy: -117.108 flat angles C4'-P-C4' energy: -130.294 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -41.962 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: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -961.524227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.524227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.524227 (E_RNA) where: Base-Base interactions energy: -594.376 where: short stacking energy: -288.570 Base-Backbone interact. energy: -0.310 local terms energy: -366.839148 where: bonds (distance) C4'-P energy: -98.547 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -103.186 flat angles P-C4'-P energy: -55.820 tors. eta vs tors. theta energy: -20.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -660.683872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.683872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.683872 (E_RNA) where: Base-Base interactions energy: -316.559 where: short stacking energy: -193.873 Base-Backbone interact. energy: 1.783 local terms energy: -345.908262 where: bonds (distance) C4'-P energy: -105.571 bonds (distance) P-C4' energy: -110.123 flat angles C4'-P-C4' energy: -79.395 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -1.143 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: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2017.826148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.826148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.826148 (E_RNA) where: Base-Base interactions energy: -1369.279 where: short stacking energy: -590.696 Base-Backbone interact. energy: -2.902 local terms energy: -645.645061 where: bonds (distance) C4'-P energy: -124.858 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -140.431 flat angles P-C4'-P energy: -89.567 tors. eta vs tors. theta energy: -161.167 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: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1953.429686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.429686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.429686 (E_RNA) where: Base-Base interactions energy: -1341.046 where: short stacking energy: -582.622 Base-Backbone interact. energy: -2.515 local terms energy: -609.868926 where: bonds (distance) C4'-P energy: -116.161 bonds (distance) P-C4' energy: -141.269 flat angles C4'-P-C4' energy: -139.674 flat angles P-C4'-P energy: -73.174 tors. eta vs tors. theta energy: -139.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1814.358839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.358839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.358839 (E_RNA) where: Base-Base interactions energy: -1192.276 where: short stacking energy: -537.431 Base-Backbone interact. energy: 0.455 local terms energy: -622.537807 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -132.478 flat angles C4'-P-C4' energy: -137.334 flat angles P-C4'-P energy: -86.765 tors. eta vs tors. theta energy: -135.314 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: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1677.962961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.962961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.962961 (E_RNA) where: Base-Base interactions energy: -1095.807 where: short stacking energy: -518.619 Base-Backbone interact. energy: 0.087 local terms energy: -582.243037 where: bonds (distance) C4'-P energy: -107.608 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -134.480 flat angles P-C4'-P energy: -83.661 tors. eta vs tors. theta energy: -118.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1441.761110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.761110 (E_RNA) where: Base-Base interactions energy: -913.077 where: short stacking energy: -446.058 Base-Backbone interact. energy: -4.352 local terms energy: -524.332514 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -114.888 flat angles C4'-P-C4' energy: -120.907 flat angles P-C4'-P energy: -83.045 tors. eta vs tors. theta energy: -87.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1528.248637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.248637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.248637 (E_RNA) where: Base-Base interactions energy: -998.534 where: short stacking energy: -473.396 Base-Backbone interact. energy: 4.897 local terms energy: -534.612182 where: bonds (distance) C4'-P energy: -103.119 bonds (distance) P-C4' energy: -126.400 flat angles C4'-P-C4' energy: -115.403 flat angles P-C4'-P energy: -77.564 tors. eta vs tors. theta energy: -112.126 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: 34 Temperature: 1.200000 Total energy: -1415.631338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.631338 (E_RNA) where: Base-Base interactions energy: -897.871 where: short stacking energy: -395.785 Base-Backbone interact. energy: -4.337 local terms energy: -513.422829 where: bonds (distance) C4'-P energy: -122.385 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -129.771 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -77.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1207.271304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.271304 (E_RNA) where: Base-Base interactions energy: -787.812 where: short stacking energy: -363.563 Base-Backbone interact. energy: 0.791 local terms energy: -420.249899 where: bonds (distance) C4'-P energy: -115.293 bonds (distance) P-C4' energy: -93.383 flat angles C4'-P-C4' energy: -115.131 flat angles P-C4'-P energy: -42.513 tors. eta vs tors. theta energy: -53.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1004.881471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.881471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.881471 (E_RNA) where: Base-Base interactions energy: -592.226 where: short stacking energy: -290.821 Base-Backbone interact. energy: -1.424 local terms energy: -411.231187 where: bonds (distance) C4'-P energy: -104.067 bonds (distance) P-C4' energy: -104.833 flat angles C4'-P-C4' energy: -104.072 flat angles P-C4'-P energy: -69.215 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: 6 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -657.727356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.727356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.727356 (E_RNA) where: Base-Base interactions energy: -304.433 where: short stacking energy: -188.577 Base-Backbone interact. energy: -1.147 local terms energy: -352.147418 where: bonds (distance) C4'-P energy: -105.806 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -68.720 tors. eta vs tors. theta energy: 17.279 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: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2029.902665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.902665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.902665 (E_RNA) where: Base-Base interactions energy: -1370.995 where: short stacking energy: -613.860 Base-Backbone interact. energy: -4.328 local terms energy: -654.579941 where: bonds (distance) C4'-P energy: -116.398 bonds (distance) P-C4' energy: -133.022 flat angles C4'-P-C4' energy: -146.457 flat angles P-C4'-P energy: -97.056 tors. eta vs tors. theta energy: -161.647 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: 2, replica: 10 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1966.544811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.544811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.544811 (E_RNA) where: Base-Base interactions energy: -1353.877 where: short stacking energy: -585.260 Base-Backbone interact. energy: 0.624 local terms energy: -613.291814 where: bonds (distance) C4'-P energy: -130.238 bonds (distance) P-C4' energy: -117.172 flat angles C4'-P-C4' energy: -126.950 flat angles P-C4'-P energy: -94.849 tors. eta vs tors. theta energy: -144.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1838.417566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.417566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.417566 (E_RNA) where: Base-Base interactions energy: -1227.671 where: short stacking energy: -537.214 Base-Backbone interact. energy: -7.294 local terms energy: -603.451699 where: bonds (distance) C4'-P energy: -118.688 bonds (distance) P-C4' energy: -134.603 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -78.031 tors. eta vs tors. theta energy: -134.174 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: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1719.868218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.868218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.868218 (E_RNA) where: Base-Base interactions energy: -1131.091 where: short stacking energy: -505.232 Base-Backbone interact. energy: -3.051 local terms energy: -585.726218 where: bonds (distance) C4'-P energy: -122.955 bonds (distance) P-C4' energy: -134.756 flat angles C4'-P-C4' energy: -128.653 flat angles P-C4'-P energy: -82.107 tors. eta vs tors. theta energy: -117.255 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: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1409.645617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.645617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.645617 (E_RNA) where: Base-Base interactions energy: -916.483 where: short stacking energy: -420.148 Base-Backbone interact. energy: -1.767 local terms energy: -491.396050 where: bonds (distance) C4'-P energy: -112.694 bonds (distance) P-C4' energy: -114.204 flat angles C4'-P-C4' energy: -118.723 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: -82.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1527.067702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.067702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.067702 (E_RNA) where: Base-Base interactions energy: -985.066 where: short stacking energy: -458.683 Base-Backbone interact. energy: -3.216 local terms energy: -538.785195 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -137.193 flat angles C4'-P-C4' energy: -116.561 flat angles P-C4'-P energy: -65.123 tors. eta vs tors. theta energy: -105.734 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: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1406.640066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.640066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.640066 (E_RNA) where: Base-Base interactions energy: -889.461 where: short stacking energy: -405.278 Base-Backbone interact. energy: -1.500 local terms energy: -515.679589 where: bonds (distance) C4'-P energy: -113.032 bonds (distance) P-C4' energy: -120.929 flat angles C4'-P-C4' energy: -119.156 flat angles P-C4'-P energy: -71.632 tors. eta vs tors. theta energy: -90.931 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: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1140.613673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.613673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.613673 (E_RNA) where: Base-Base interactions energy: -683.955 where: short stacking energy: -336.005 Base-Backbone interact. energy: 4.390 local terms energy: -461.048615 where: bonds (distance) C4'-P energy: -109.710 bonds (distance) P-C4' energy: -107.194 flat angles C4'-P-C4' energy: -134.048 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -48.665 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: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -975.312294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.312294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.312294 (E_RNA) where: Base-Base interactions energy: -595.114 where: short stacking energy: -287.490 Base-Backbone interact. energy: 4.203 local terms energy: -384.401673 where: bonds (distance) C4'-P energy: -97.889 bonds (distance) P-C4' energy: -113.857 flat angles C4'-P-C4' energy: -85.102 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -21.854 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: 10, replica: 6 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -610.040447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.040447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.040447 (E_RNA) where: Base-Base interactions energy: -271.928 where: short stacking energy: -208.087 Base-Backbone interact. energy: 3.400 local terms energy: -341.512384 where: bonds (distance) C4'-P energy: -102.064 bonds (distance) P-C4' energy: -96.077 flat angles C4'-P-C4' energy: -91.259 flat angles P-C4'-P energy: -54.029 tors. eta vs tors. theta energy: 1.917 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: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2072.975773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.975773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.975773 (E_RNA) where: Base-Base interactions energy: -1405.159 where: short stacking energy: -633.872 Base-Backbone interact. energy: -1.478 local terms energy: -666.339070 where: bonds (distance) C4'-P energy: -130.370 bonds (distance) P-C4' energy: -142.668 flat angles C4'-P-C4' energy: -147.737 flat angles P-C4'-P energy: -89.918 tors. eta vs tors. theta energy: -155.647 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: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1968.275826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.275826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.275826 (E_RNA) where: Base-Base interactions energy: -1359.646 where: short stacking energy: -560.172 Base-Backbone interact. energy: -4.171 local terms energy: -604.459356 where: bonds (distance) C4'-P energy: -131.604 bonds (distance) P-C4' energy: -120.736 flat angles C4'-P-C4' energy: -142.686 flat angles P-C4'-P energy: -72.486 tors. eta vs tors. theta energy: -136.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1825.143881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.143881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.143881 (E_RNA) where: Base-Base interactions energy: -1215.096 where: short stacking energy: -541.261 Base-Backbone interact. energy: -0.161 local terms energy: -609.886776 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -121.501 flat angles C4'-P-C4' energy: -147.403 flat angles P-C4'-P energy: -75.100 tors. eta vs tors. theta energy: -138.067 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: 36 Temperature: 1.050000 Total energy: -1683.401148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.401148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.401148 (E_RNA) where: Base-Base interactions energy: -1099.091 where: short stacking energy: -496.867 Base-Backbone interact. energy: -3.193 local terms energy: -581.116875 where: bonds (distance) C4'-P energy: -117.511 bonds (distance) P-C4' energy: -136.476 flat angles C4'-P-C4' energy: -120.009 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -115.371 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: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1657.107408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.107408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.107408 (E_RNA) where: Base-Base interactions energy: -1083.393 where: short stacking energy: -493.152 Base-Backbone interact. energy: -0.334 local terms energy: -573.379990 where: bonds (distance) C4'-P energy: -120.525 bonds (distance) P-C4' energy: -120.475 flat angles C4'-P-C4' energy: -133.493 flat angles P-C4'-P energy: -81.426 tors. eta vs tors. theta energy: -117.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1353.367607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.367607 (E_RNA) where: Base-Base interactions energy: -849.009 where: short stacking energy: -408.495 Base-Backbone interact. energy: -2.399 local terms energy: -501.960222 where: bonds (distance) C4'-P energy: -124.615 bonds (distance) P-C4' energy: -101.478 flat angles C4'-P-C4' energy: -119.297 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -78.739 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: 36 Temperature: 1.200000 Total energy: -1445.598138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.598138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.598138 (E_RNA) where: Base-Base interactions energy: -944.188 where: short stacking energy: -415.747 Base-Backbone interact. energy: 1.068 local terms energy: -502.478373 where: bonds (distance) C4'-P energy: -106.965 bonds (distance) P-C4' energy: -109.606 flat angles C4'-P-C4' energy: -117.657 flat angles P-C4'-P energy: -70.069 tors. eta vs tors. theta energy: -98.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1125.630164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.630164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.630164 (E_RNA) where: Base-Base interactions energy: -692.070 where: short stacking energy: -331.320 Base-Backbone interact. energy: -2.834 local terms energy: -430.726773 where: bonds (distance) C4'-P energy: -102.130 bonds (distance) P-C4' energy: -109.107 flat angles C4'-P-C4' energy: -103.700 flat angles P-C4'-P energy: -62.489 tors. eta vs tors. theta energy: -53.300 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: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1009.601529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.601529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.601529 (E_RNA) where: Base-Base interactions energy: -603.849 where: short stacking energy: -297.264 Base-Backbone interact. energy: -3.153 local terms energy: -402.598588 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -49.295 tors. eta vs tors. theta energy: -35.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -642.230347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.230347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.230347 (E_RNA) where: Base-Base interactions energy: -261.915 where: short stacking energy: -190.424 Base-Backbone interact. energy: 4.996 local terms energy: -385.311248 where: bonds (distance) C4'-P energy: -107.130 bonds (distance) P-C4' energy: -119.997 flat angles C4'-P-C4' energy: -93.794 flat angles P-C4'-P energy: -65.938 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2064.642612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.642612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.642612 (E_RNA) where: Base-Base interactions energy: -1426.272 where: short stacking energy: -619.972 Base-Backbone interact. energy: 6.541 local terms energy: -644.910830 where: bonds (distance) C4'-P energy: -131.055 bonds (distance) P-C4' energy: -134.167 flat angles C4'-P-C4' energy: -130.619 flat angles P-C4'-P energy: -93.613 tors. eta vs tors. theta energy: -155.456 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: 2, replica: 10 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1967.376218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.376218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.376218 (E_RNA) where: Base-Base interactions energy: -1352.997 where: short stacking energy: -596.109 Base-Backbone interact. energy: -1.943 local terms energy: -612.436057 where: bonds (distance) C4'-P energy: -118.992 bonds (distance) P-C4' energy: -133.020 flat angles C4'-P-C4' energy: -135.095 flat angles P-C4'-P energy: -85.557 tors. eta vs tors. theta energy: -139.772 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: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1857.975197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.975197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.975197 (E_RNA) where: Base-Base interactions energy: -1224.768 where: short stacking energy: -558.126 Base-Backbone interact. energy: 0.045 local terms energy: -633.252080 where: bonds (distance) C4'-P energy: -126.427 bonds (distance) P-C4' energy: -122.860 flat angles C4'-P-C4' energy: -145.296 flat angles P-C4'-P energy: -88.420 tors. eta vs tors. theta energy: -150.250 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: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1687.873063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.873063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.873063 (E_RNA) where: Base-Base interactions energy: -1135.438 where: short stacking energy: -510.838 Base-Backbone interact. energy: -0.738 local terms energy: -551.696673 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -132.749 flat angles C4'-P-C4' energy: -118.597 flat angles P-C4'-P energy: -73.862 tors. eta vs tors. theta energy: -121.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1596.271898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.271898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.271898 (E_RNA) where: Base-Base interactions energy: -1040.370 where: short stacking energy: -449.879 Base-Backbone interact. energy: -3.385 local terms energy: -552.517070 where: bonds (distance) C4'-P energy: -124.911 bonds (distance) P-C4' energy: -113.973 flat angles C4'-P-C4' energy: -129.968 flat angles P-C4'-P energy: -76.911 tors. eta vs tors. theta energy: -106.754 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: 6, replica: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1564.328403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.328403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.328403 (E_RNA) where: Base-Base interactions energy: -1034.285 where: short stacking energy: -436.365 Base-Backbone interact. energy: -1.069 local terms energy: -528.974868 where: bonds (distance) C4'-P energy: -118.460 bonds (distance) P-C4' energy: -128.467 flat angles C4'-P-C4' energy: -107.014 flat angles P-C4'-P energy: -81.672 tors. eta vs tors. theta energy: -93.362 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: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1261.236901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.236901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.236901 (E_RNA) where: Base-Base interactions energy: -801.060 where: short stacking energy: -388.436 Base-Backbone interact. energy: -1.024 local terms energy: -459.152353 where: bonds (distance) C4'-P energy: -102.534 bonds (distance) P-C4' energy: -107.862 flat angles C4'-P-C4' energy: -106.541 flat angles P-C4'-P energy: -72.666 tors. eta vs tors. theta energy: -69.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1126.378161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.378161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.378161 (E_RNA) where: Base-Base interactions energy: -668.385 where: short stacking energy: -315.154 Base-Backbone interact. energy: -3.478 local terms energy: -454.515788 where: bonds (distance) C4'-P energy: -107.284 bonds (distance) P-C4' energy: -124.612 flat angles C4'-P-C4' energy: -106.432 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -47.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1083.518989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.518989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.518989 (E_RNA) where: Base-Base interactions energy: -642.022 where: short stacking energy: -327.463 Base-Backbone interact. energy: 1.350 local terms energy: -442.846835 where: bonds (distance) C4'-P energy: -115.289 bonds (distance) P-C4' energy: -125.283 flat angles C4'-P-C4' energy: -92.878 flat angles P-C4'-P energy: -63.929 tors. eta vs tors. theta energy: -45.469 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: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -827.260941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.260941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.260941 (E_RNA) where: Base-Base interactions energy: -444.294 where: short stacking energy: -233.959 Base-Backbone interact. energy: -5.646 local terms energy: -377.320932 where: bonds (distance) C4'-P energy: -101.064 bonds (distance) P-C4' energy: -120.352 flat angles C4'-P-C4' energy: -91.763 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -17.511 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: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2055.787778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.787778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.787778 (E_RNA) where: Base-Base interactions energy: -1385.768 where: short stacking energy: -632.998 Base-Backbone interact. energy: -1.543 local terms energy: -668.476446 where: bonds (distance) C4'-P energy: -134.530 bonds (distance) P-C4' energy: -134.495 flat angles C4'-P-C4' energy: -145.096 flat angles P-C4'-P energy: -100.727 tors. eta vs tors. theta energy: -153.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1992.414972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.414972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.414972 (E_RNA) where: Base-Base interactions energy: -1351.047 where: short stacking energy: -559.444 Base-Backbone interact. energy: 1.412 local terms energy: -642.779327 where: bonds (distance) C4'-P energy: -127.316 bonds (distance) P-C4' energy: -134.641 flat angles C4'-P-C4' energy: -140.616 flat angles P-C4'-P energy: -103.401 tors. eta vs tors. theta energy: -136.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1809.893507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.893507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.893507 (E_RNA) where: Base-Base interactions energy: -1208.348 where: short stacking energy: -560.672 Base-Backbone interact. energy: -2.661 local terms energy: -598.884631 where: bonds (distance) C4'-P energy: -115.865 bonds (distance) P-C4' energy: -123.180 flat angles C4'-P-C4' energy: -141.910 flat angles P-C4'-P energy: -88.403 tors. eta vs tors. theta energy: -129.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1700.655441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.655441 (E_RNA) where: Base-Base interactions energy: -1105.531 where: short stacking energy: -522.108 Base-Backbone interact. energy: -0.219 local terms energy: -594.905819 where: bonds (distance) C4'-P energy: -121.651 bonds (distance) P-C4' energy: -124.926 flat angles C4'-P-C4' energy: -140.342 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -123.111 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: 9 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1696.121571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.121571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.121571 (E_RNA) where: Base-Base interactions energy: -1127.080 where: short stacking energy: -515.191 Base-Backbone interact. energy: 1.235 local terms energy: -570.276411 where: bonds (distance) C4'-P energy: -121.296 bonds (distance) P-C4' energy: -125.742 flat angles C4'-P-C4' energy: -125.598 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -126.647 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: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1590.311910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.311910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.311910 (E_RNA) where: Base-Base interactions energy: -1057.498 where: short stacking energy: -473.602 Base-Backbone interact. energy: -0.993 local terms energy: -531.821054 where: bonds (distance) C4'-P energy: -113.951 bonds (distance) P-C4' energy: -121.359 flat angles C4'-P-C4' energy: -120.930 flat angles P-C4'-P energy: -85.778 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: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1214.459274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.459274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.459274 (E_RNA) where: Base-Base interactions energy: -719.744 where: short stacking energy: -373.740 Base-Backbone interact. energy: 0.406 local terms energy: -495.122095 where: bonds (distance) C4'-P energy: -119.354 bonds (distance) P-C4' energy: -128.663 flat angles C4'-P-C4' energy: -100.215 flat angles P-C4'-P energy: -78.303 tors. eta vs tors. theta energy: -68.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -973.268031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.268031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.268031 (E_RNA) where: Base-Base interactions energy: -566.751 where: short stacking energy: -275.405 Base-Backbone interact. energy: -1.248 local terms energy: -405.268865 where: bonds (distance) C4'-P energy: -110.325 bonds (distance) P-C4' energy: -102.421 flat angles C4'-P-C4' energy: -110.125 flat angles P-C4'-P energy: -62.272 tors. eta vs tors. theta energy: -20.125 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: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1098.923950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.923950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.923950 (E_RNA) where: Base-Base interactions energy: -676.657 where: short stacking energy: -325.561 Base-Backbone interact. energy: -0.910 local terms energy: -421.356961 where: bonds (distance) C4'-P energy: -98.590 bonds (distance) P-C4' energy: -98.273 flat angles C4'-P-C4' energy: -103.418 flat angles P-C4'-P energy: -62.220 tors. eta vs tors. theta energy: -58.856 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: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -859.184380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.184380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.184380 (E_RNA) where: Base-Base interactions energy: -502.382 where: short stacking energy: -246.110 Base-Backbone interact. energy: 2.801 local terms energy: -359.603083 where: bonds (distance) C4'-P energy: -100.028 bonds (distance) P-C4' energy: -100.122 flat angles C4'-P-C4' energy: -96.332 flat angles P-C4'-P energy: -50.961 tors. eta vs tors. theta energy: -12.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2073.585541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.585541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.585541 (E_RNA) where: Base-Base interactions energy: -1427.568 where: short stacking energy: -608.149 Base-Backbone interact. energy: -3.795 local terms energy: -642.222511 where: bonds (distance) C4'-P energy: -122.476 bonds (distance) P-C4' energy: -134.680 flat angles C4'-P-C4' energy: -141.412 flat angles P-C4'-P energy: -89.673 tors. eta vs tors. theta energy: -153.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2004.348100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.348100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.348100 (E_RNA) where: Base-Base interactions energy: -1373.338 where: short stacking energy: -596.841 Base-Backbone interact. energy: -4.319 local terms energy: -626.691436 where: bonds (distance) C4'-P energy: -123.805 bonds (distance) P-C4' energy: -127.999 flat angles C4'-P-C4' energy: -148.622 flat angles P-C4'-P energy: -82.633 tors. eta vs tors. theta energy: -143.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1876.552792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.552792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.552792 (E_RNA) where: Base-Base interactions energy: -1256.292 where: short stacking energy: -588.403 Base-Backbone interact. energy: 1.202 local terms energy: -621.462952 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -110.971 flat angles C4'-P-C4' energy: -136.987 flat angles P-C4'-P energy: -95.467 tors. eta vs tors. theta energy: -149.004 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: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1702.456332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.456332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.456332 (E_RNA) where: Base-Base interactions energy: -1119.610 where: short stacking energy: -493.729 Base-Backbone interact. energy: -2.451 local terms energy: -580.395498 where: bonds (distance) C4'-P energy: -115.155 bonds (distance) P-C4' energy: -122.553 flat angles C4'-P-C4' energy: -133.841 flat angles P-C4'-P energy: -89.220 tors. eta vs tors. theta energy: -119.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1774.939954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.939954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.939954 (E_RNA) where: Base-Base interactions energy: -1206.873 where: short stacking energy: -525.983 Base-Backbone interact. energy: 3.050 local terms energy: -571.116970 where: bonds (distance) C4'-P energy: -116.964 bonds (distance) P-C4' energy: -120.172 flat angles C4'-P-C4' energy: -129.977 flat angles P-C4'-P energy: -71.672 tors. eta vs tors. theta energy: -132.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1617.206737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.206737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.206737 (E_RNA) where: Base-Base interactions energy: -1089.193 where: short stacking energy: -469.064 Base-Backbone interact. energy: -4.202 local terms energy: -523.811563 where: bonds (distance) C4'-P energy: -102.765 bonds (distance) P-C4' energy: -105.025 flat angles C4'-P-C4' energy: -122.032 flat angles P-C4'-P energy: -77.061 tors. eta vs tors. theta energy: -116.929 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: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1231.745671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.745671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.745671 (E_RNA) where: Base-Base interactions energy: -768.415 where: short stacking energy: -348.311 Base-Backbone interact. energy: 0.776 local terms energy: -464.106798 where: bonds (distance) C4'-P energy: -108.741 bonds (distance) P-C4' energy: -111.292 flat angles C4'-P-C4' energy: -105.308 flat angles P-C4'-P energy: -68.152 tors. eta vs tors. theta energy: -70.614 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: 8, replica: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1147.502879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.502879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.502879 (E_RNA) where: Base-Base interactions energy: -728.657 where: short stacking energy: -339.328 Base-Backbone interact. energy: -0.651 local terms energy: -418.195362 where: bonds (distance) C4'-P energy: -99.724 bonds (distance) P-C4' energy: -106.309 flat angles C4'-P-C4' energy: -85.245 flat angles P-C4'-P energy: -79.290 tors. eta vs tors. theta energy: -47.627 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: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -925.931675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.931675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.931675 (E_RNA) where: Base-Base interactions energy: -570.312 where: short stacking energy: -259.770 Base-Backbone interact. energy: 4.739 local terms energy: -360.358475 where: bonds (distance) C4'-P energy: -88.020 bonds (distance) P-C4' energy: -111.836 flat angles C4'-P-C4' energy: -86.854 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -20.670 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: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -887.854548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.854548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.854548 (E_RNA) where: Base-Base interactions energy: -505.197 where: short stacking energy: -244.004 Base-Backbone interact. energy: -1.548 local terms energy: -381.109665 where: bonds (distance) C4'-P energy: -98.916 bonds (distance) P-C4' energy: -119.329 flat angles C4'-P-C4' energy: -86.085 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: -11.221 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: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2117.640820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.640820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.640820 (E_RNA) where: Base-Base interactions energy: -1449.627 where: short stacking energy: -647.804 Base-Backbone interact. energy: 1.956 local terms energy: -669.970336 where: bonds (distance) C4'-P energy: -131.920 bonds (distance) P-C4' energy: -136.002 flat angles C4'-P-C4' energy: -151.865 flat angles P-C4'-P energy: -91.521 tors. eta vs tors. theta energy: -158.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2024.217777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.217777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.217777 (E_RNA) where: Base-Base interactions energy: -1383.793 where: short stacking energy: -588.224 Base-Backbone interact. energy: -1.026 local terms energy: -639.398611 where: bonds (distance) C4'-P energy: -121.365 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -147.209 flat angles P-C4'-P energy: -88.537 tors. eta vs tors. theta energy: -146.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1863.924972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.924972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.924972 (E_RNA) where: Base-Base interactions energy: -1217.083 where: short stacking energy: -536.727 Base-Backbone interact. energy: -3.191 local terms energy: -643.650956 where: bonds (distance) C4'-P energy: -140.655 bonds (distance) P-C4' energy: -128.249 flat angles C4'-P-C4' energy: -136.065 flat angles P-C4'-P energy: -90.542 tors. eta vs tors. theta energy: -148.140 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: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1701.306505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.306505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.306505 (E_RNA) where: Base-Base interactions energy: -1129.316 where: short stacking energy: -524.790 Base-Backbone interact. energy: -1.604 local terms energy: -570.386442 where: bonds (distance) C4'-P energy: -120.015 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -120.531 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: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1811.145696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.145696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.145696 (E_RNA) where: Base-Base interactions energy: -1252.344 where: short stacking energy: -501.104 Base-Backbone interact. energy: -6.153 local terms energy: -552.648441 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -120.193 flat angles C4'-P-C4' energy: -128.667 flat angles P-C4'-P energy: -87.120 tors. eta vs tors. theta energy: -118.288 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: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1571.274767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.274767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.274767 (E_RNA) where: Base-Base interactions energy: -1049.293 where: short stacking energy: -438.837 Base-Backbone interact. energy: -2.114 local terms energy: -519.868612 where: bonds (distance) C4'-P energy: -123.885 bonds (distance) P-C4' energy: -123.843 flat angles C4'-P-C4' energy: -112.884 flat angles P-C4'-P energy: -62.604 tors. eta vs tors. theta energy: -96.653 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: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1267.850732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.850732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.850732 (E_RNA) where: Base-Base interactions energy: -807.356 where: short stacking energy: -373.691 Base-Backbone interact. energy: -1.063 local terms energy: -459.431578 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -109.530 flat angles C4'-P-C4' energy: -122.209 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -67.232 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: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1194.817094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.817094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.817094 (E_RNA) where: Base-Base interactions energy: -742.015 where: short stacking energy: -345.147 Base-Backbone interact. energy: -1.126 local terms energy: -451.676307 where: bonds (distance) C4'-P energy: -109.502 bonds (distance) P-C4' energy: -114.995 flat angles C4'-P-C4' energy: -106.412 flat angles P-C4'-P energy: -61.056 tors. eta vs tors. theta energy: -59.712 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: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -879.292091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.292091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.292091 (E_RNA) where: Base-Base interactions energy: -465.858 where: short stacking energy: -257.697 Base-Backbone interact. energy: 1.691 local terms energy: -415.124862 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -118.324 flat angles C4'-P-C4' energy: -95.871 flat angles P-C4'-P energy: -81.309 tors. eta vs tors. theta energy: -20.210 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: 10, replica: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -863.762420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.762420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.762420 (E_RNA) where: Base-Base interactions energy: -495.453 where: short stacking energy: -246.477 Base-Backbone interact. energy: -2.080 local terms energy: -366.229782 where: bonds (distance) C4'-P energy: -92.085 bonds (distance) P-C4' energy: -104.035 flat angles C4'-P-C4' energy: -85.838 flat angles P-C4'-P energy: -70.863 tors. eta vs tors. theta energy: -13.410 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: 1, replica: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2094.272882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.272882 (E_RNA) where: Base-Base interactions energy: -1436.706 where: short stacking energy: -619.697 Base-Backbone interact. energy: -2.312 local terms energy: -655.254358 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -132.733 flat angles C4'-P-C4' energy: -147.615 flat angles P-C4'-P energy: -94.302 tors. eta vs tors. theta energy: -156.551 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: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2010.758130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.758130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.758130 (E_RNA) where: Base-Base interactions energy: -1378.113 where: short stacking energy: -598.006 Base-Backbone interact. energy: -0.583 local terms energy: -632.061975 where: bonds (distance) C4'-P energy: -123.653 bonds (distance) P-C4' energy: -134.359 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -82.207 tors. eta vs tors. theta energy: -149.276 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: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1868.627636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.627636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.627636 (E_RNA) where: Base-Base interactions energy: -1254.128 where: short stacking energy: -554.771 Base-Backbone interact. energy: -1.851 local terms energy: -612.648239 where: bonds (distance) C4'-P energy: -125.912 bonds (distance) P-C4' energy: -134.724 flat angles C4'-P-C4' energy: -133.985 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -139.830 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: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1909.010426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.010426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.010426 (E_RNA) where: Base-Base interactions energy: -1308.165 where: short stacking energy: -561.768 Base-Backbone interact. energy: 1.142 local terms energy: -601.987812 where: bonds (distance) C4'-P energy: -108.537 bonds (distance) P-C4' energy: -126.922 flat angles C4'-P-C4' energy: -140.081 flat angles P-C4'-P energy: -86.192 tors. eta vs tors. theta energy: -140.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1674.797278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.797278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.797278 (E_RNA) where: Base-Base interactions energy: -1127.418 where: short stacking energy: -515.999 Base-Backbone interact. energy: 0.139 local terms energy: -547.518375 where: bonds (distance) C4'-P energy: -110.087 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -123.796 flat angles P-C4'-P energy: -62.475 tors. eta vs tors. theta energy: -116.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1578.175541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.175541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.175541 (E_RNA) where: Base-Base interactions energy: -1053.398 where: short stacking energy: -464.286 Base-Backbone interact. energy: -1.467 local terms energy: -523.310057 where: bonds (distance) C4'-P energy: -96.235 bonds (distance) P-C4' energy: -122.133 flat angles C4'-P-C4' energy: -125.946 flat angles P-C4'-P energy: -83.176 tors. eta vs tors. theta energy: -95.820 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1306.043816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.043816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.043816 (E_RNA) where: Base-Base interactions energy: -813.911 where: short stacking energy: -400.437 Base-Backbone interact. energy: -3.213 local terms energy: -488.920276 where: bonds (distance) C4'-P energy: -104.757 bonds (distance) P-C4' energy: -110.034 flat angles C4'-P-C4' energy: -118.413 flat angles P-C4'-P energy: -69.942 tors. eta vs tors. theta energy: -85.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1267.896766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.896766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.896766 (E_RNA) where: Base-Base interactions energy: -830.840 where: short stacking energy: -379.993 Base-Backbone interact. energy: -0.221 local terms energy: -436.836232 where: bonds (distance) C4'-P energy: -101.590 bonds (distance) P-C4' energy: -101.732 flat angles C4'-P-C4' energy: -107.072 flat angles P-C4'-P energy: -61.281 tors. eta vs tors. theta energy: -65.162 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: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -933.553355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.553355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.553355 (E_RNA) where: Base-Base interactions energy: -560.439 where: short stacking energy: -299.587 Base-Backbone interact. energy: -3.005 local terms energy: -370.108707 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -94.831 flat angles C4'-P-C4' energy: -89.771 flat angles P-C4'-P energy: -59.080 tors. eta vs tors. theta energy: -31.009 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: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -858.087704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.087704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.087704 (E_RNA) where: Base-Base interactions energy: -477.164 where: short stacking energy: -267.683 Base-Backbone interact. energy: -1.122 local terms energy: -379.802105 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -7.842 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: 1, replica: 8 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2102.061639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.061639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.061639 (E_RNA) where: Base-Base interactions energy: -1462.769 where: short stacking energy: -615.925 Base-Backbone interact. energy: -1.999 local terms energy: -637.293261 where: bonds (distance) C4'-P energy: -118.575 bonds (distance) P-C4' energy: -136.482 flat angles C4'-P-C4' energy: -136.865 flat angles P-C4'-P energy: -92.884 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: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2037.982605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.982605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.982605 (E_RNA) where: Base-Base interactions energy: -1381.792 where: short stacking energy: -577.219 Base-Backbone interact. energy: 0.435 local terms energy: -656.625361 where: bonds (distance) C4'-P energy: -138.626 bonds (distance) P-C4' energy: -133.025 flat angles C4'-P-C4' energy: -143.310 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -150.461 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: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1975.072874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.072874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.072874 (E_RNA) where: Base-Base interactions energy: -1353.956 where: short stacking energy: -595.074 Base-Backbone interact. energy: -4.142 local terms energy: -616.975591 where: bonds (distance) C4'-P energy: -121.498 bonds (distance) P-C4' energy: -128.943 flat angles C4'-P-C4' energy: -142.697 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: -154.929 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: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1804.556116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.556116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.556116 (E_RNA) where: Base-Base interactions energy: -1223.315 where: short stacking energy: -528.121 Base-Backbone interact. energy: -1.745 local terms energy: -579.496416 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -127.263 flat angles C4'-P-C4' energy: -127.039 flat angles P-C4'-P energy: -83.677 tors. eta vs tors. theta energy: -127.444 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: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1675.625336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.625336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.625336 (E_RNA) where: Base-Base interactions energy: -1116.804 where: short stacking energy: -506.770 Base-Backbone interact. energy: 4.441 local terms energy: -563.262147 where: bonds (distance) C4'-P energy: -116.480 bonds (distance) P-C4' energy: -130.241 flat angles C4'-P-C4' energy: -124.064 flat angles P-C4'-P energy: -81.073 tors. eta vs tors. theta energy: -111.405 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: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1520.046969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.046969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.046969 (E_RNA) where: Base-Base interactions energy: -999.607 where: short stacking energy: -443.551 Base-Backbone interact. energy: 11.745 local terms energy: -532.185179 where: bonds (distance) C4'-P energy: -117.314 bonds (distance) P-C4' energy: -121.170 flat angles C4'-P-C4' energy: -111.617 flat angles P-C4'-P energy: -71.898 tors. eta vs tors. theta energy: -110.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1311.408037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.408037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.408037 (E_RNA) where: Base-Base interactions energy: -835.226 where: short stacking energy: -382.881 Base-Backbone interact. energy: 0.261 local terms energy: -476.443436 where: bonds (distance) C4'-P energy: -107.464 bonds (distance) P-C4' energy: -115.671 flat angles C4'-P-C4' energy: -107.401 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -70.392 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: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1258.066906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.066906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.066906 (E_RNA) where: Base-Base interactions energy: -809.571 where: short stacking energy: -360.330 Base-Backbone interact. energy: -3.021 local terms energy: -445.474724 where: bonds (distance) C4'-P energy: -92.389 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -98.826 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: -57.685 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: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -951.150630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.150630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.150630 (E_RNA) where: Base-Base interactions energy: -517.399 where: short stacking energy: -277.906 Base-Backbone interact. energy: -3.242 local terms energy: -430.509666 where: bonds (distance) C4'-P energy: -102.825 bonds (distance) P-C4' energy: -117.183 flat angles C4'-P-C4' energy: -105.683 flat angles P-C4'-P energy: -71.370 tors. eta vs tors. theta energy: -33.448 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: 10, replica: 6 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -857.539750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.539750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.539750 (E_RNA) where: Base-Base interactions energy: -480.677 where: short stacking energy: -252.812 Base-Backbone interact. energy: 0.815 local terms energy: -377.677442 where: bonds (distance) C4'-P energy: -104.607 bonds (distance) P-C4' energy: -105.489 flat angles C4'-P-C4' energy: -88.193 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -17.347 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: 8 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2111.717279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.717279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.717279 (E_RNA) where: Base-Base interactions energy: -1432.302 where: short stacking energy: -614.658 Base-Backbone interact. energy: -3.827 local terms energy: -675.588263 where: bonds (distance) C4'-P energy: -135.883 bonds (distance) P-C4' energy: -143.553 flat angles C4'-P-C4' energy: -154.741 flat angles P-C4'-P energy: -81.832 tors. eta vs tors. theta energy: -159.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2050.475330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.475330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.475330 (E_RNA) where: Base-Base interactions energy: -1386.869 where: short stacking energy: -608.349 Base-Backbone interact. energy: -3.454 local terms energy: -660.151523 where: bonds (distance) C4'-P energy: -130.824 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -137.767 flat angles P-C4'-P energy: -90.674 tors. eta vs tors. theta energy: -161.692 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: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1977.322466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.322466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.322466 (E_RNA) where: Base-Base interactions energy: -1361.965 where: short stacking energy: -601.389 Base-Backbone interact. energy: -1.995 local terms energy: -613.362435 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -128.393 flat angles C4'-P-C4' energy: -131.032 flat angles P-C4'-P energy: -75.742 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: 4, replica: 4 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1771.320556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.320556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.320556 (E_RNA) where: Base-Base interactions energy: -1173.121 where: short stacking energy: -521.026 Base-Backbone interact. energy: -1.319 local terms energy: -596.880913 where: bonds (distance) C4'-P energy: -115.182 bonds (distance) P-C4' energy: -127.326 flat angles C4'-P-C4' energy: -142.139 flat angles P-C4'-P energy: -80.234 tors. eta vs tors. theta energy: -132.000 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: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1662.426915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.426915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.426915 (E_RNA) where: Base-Base interactions energy: -1107.661 where: short stacking energy: -487.955 Base-Backbone interact. energy: -2.614 local terms energy: -552.151353 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -139.423 flat angles C4'-P-C4' energy: -138.242 flat angles P-C4'-P energy: -56.593 tors. eta vs tors. theta energy: -114.329 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: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1553.504561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.504561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.504561 (E_RNA) where: Base-Base interactions energy: -1043.736 where: short stacking energy: -452.808 Base-Backbone interact. energy: -2.561 local terms energy: -507.208359 where: bonds (distance) C4'-P energy: -118.557 bonds (distance) P-C4' energy: -98.984 flat angles C4'-P-C4' energy: -118.966 flat angles P-C4'-P energy: -77.544 tors. eta vs tors. theta energy: -93.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1282.207457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.207457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.207457 (E_RNA) where: Base-Base interactions energy: -811.711 where: short stacking energy: -381.083 Base-Backbone interact. energy: -3.007 local terms energy: -467.490241 where: bonds (distance) C4'-P energy: -95.996 bonds (distance) P-C4' energy: -107.116 flat angles C4'-P-C4' energy: -120.651 flat angles P-C4'-P energy: -65.870 tors. eta vs tors. theta energy: -77.858 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1279.283442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.283442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.283442 (E_RNA) where: Base-Base interactions energy: -842.155 where: short stacking energy: -378.344 Base-Backbone interact. energy: -0.677 local terms energy: -436.450907 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -97.103 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -70.739 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: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -858.689517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.689517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.689517 (E_RNA) where: Base-Base interactions energy: -472.629 where: short stacking energy: -247.971 Base-Backbone interact. energy: -0.394 local terms energy: -385.666382 where: bonds (distance) C4'-P energy: -111.628 bonds (distance) P-C4' energy: -109.944 flat angles C4'-P-C4' energy: -92.147 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -15.446 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: 6 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -851.277286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.277286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.277286 (E_RNA) where: Base-Base interactions energy: -473.255 where: short stacking energy: -245.226 Base-Backbone interact. energy: 2.598 local terms energy: -380.620508 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -106.125 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -62.255 tors. eta vs tors. theta energy: -13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2091.437198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.437198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.437198 (E_RNA) where: Base-Base interactions energy: -1458.466 where: short stacking energy: -623.372 Base-Backbone interact. energy: -4.362 local terms energy: -628.609405 where: bonds (distance) C4'-P energy: -133.832 bonds (distance) P-C4' energy: -125.504 flat angles C4'-P-C4' energy: -123.143 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -151.516 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: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2054.255202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.255202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.255202 (E_RNA) where: Base-Base interactions energy: -1382.770 where: short stacking energy: -605.783 Base-Backbone interact. energy: -2.836 local terms energy: -668.648947 where: bonds (distance) C4'-P energy: -125.778 bonds (distance) P-C4' energy: -141.435 flat angles C4'-P-C4' energy: -145.843 flat angles P-C4'-P energy: -95.577 tors. eta vs tors. theta energy: -160.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1941.319233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.319233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.319233 (E_RNA) where: Base-Base interactions energy: -1335.752 where: short stacking energy: -572.811 Base-Backbone interact. energy: -4.833 local terms energy: -600.734404 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -131.023 flat angles C4'-P-C4' energy: -144.457 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -149.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1761.961518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.961518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.961518 (E_RNA) where: Base-Base interactions energy: -1172.807 where: short stacking energy: -535.050 Base-Backbone interact. energy: -3.072 local terms energy: -586.081928 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -126.039 flat angles C4'-P-C4' energy: -144.374 flat angles P-C4'-P energy: -74.855 tors. eta vs tors. theta energy: -116.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1648.528505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.528505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.528505 (E_RNA) where: Base-Base interactions energy: -1136.885 where: short stacking energy: -476.999 Base-Backbone interact. energy: -2.714 local terms energy: -508.929015 where: bonds (distance) C4'-P energy: -116.694 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -112.858 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -106.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1571.915987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.915987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.915987 (E_RNA) where: Base-Base interactions energy: -1043.742 where: short stacking energy: -482.552 Base-Backbone interact. energy: -2.576 local terms energy: -525.597847 where: bonds (distance) C4'-P energy: -122.346 bonds (distance) P-C4' energy: -100.250 flat angles C4'-P-C4' energy: -111.592 flat angles P-C4'-P energy: -78.063 tors. eta vs tors. theta energy: -113.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1373.657391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.657391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.657391 (E_RNA) where: Base-Base interactions energy: -883.270 where: short stacking energy: -386.935 Base-Backbone interact. energy: -3.392 local terms energy: -486.995749 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -121.297 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -69.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1146.096210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.096210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.096210 (E_RNA) where: Base-Base interactions energy: -701.587 where: short stacking energy: -343.090 Base-Backbone interact. energy: 2.833 local terms energy: -447.341860 where: bonds (distance) C4'-P energy: -95.203 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -118.319 flat angles P-C4'-P energy: -57.398 tors. eta vs tors. theta energy: -53.921 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: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -859.648033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.648033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.648033 (E_RNA) where: Base-Base interactions energy: -456.011 where: short stacking energy: -236.918 Base-Backbone interact. energy: -2.588 local terms energy: -401.049000 where: bonds (distance) C4'-P energy: -81.545 bonds (distance) P-C4' energy: -118.585 flat angles C4'-P-C4' energy: -104.300 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -29.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -826.038980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.038980 (E_RNA) where: Base-Base interactions energy: -465.935 where: short stacking energy: -248.317 Base-Backbone interact. energy: 0.724 local terms energy: -360.828841 where: bonds (distance) C4'-P energy: -90.469 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -74.324 flat angles P-C4'-P energy: -73.766 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2140.359726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.359726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.359726 (E_RNA) where: Base-Base interactions energy: -1469.429 where: short stacking energy: -619.957 Base-Backbone interact. energy: -1.817 local terms energy: -669.113573 where: bonds (distance) C4'-P energy: -137.869 bonds (distance) P-C4' energy: -127.052 flat angles C4'-P-C4' energy: -154.907 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -150.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2061.777302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.777302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.777302 (E_RNA) where: Base-Base interactions energy: -1434.625 where: short stacking energy: -615.119 Base-Backbone interact. energy: -2.558 local terms energy: -624.594507 where: bonds (distance) C4'-P energy: -111.222 bonds (distance) P-C4' energy: -126.908 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -88.664 tors. eta vs tors. theta energy: -156.463 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2025.819867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.819867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.819867 (E_RNA) where: Base-Base interactions energy: -1391.260 where: short stacking energy: -590.392 Base-Backbone interact. energy: -4.515 local terms energy: -630.044113 where: bonds (distance) C4'-P energy: -120.888 bonds (distance) P-C4' energy: -116.973 flat angles C4'-P-C4' energy: -150.362 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -154.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1741.493591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.493591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.493591 (E_RNA) where: Base-Base interactions energy: -1160.253 where: short stacking energy: -510.604 Base-Backbone interact. energy: -1.763 local terms energy: -579.477340 where: bonds (distance) C4'-P energy: -122.731 bonds (distance) P-C4' energy: -111.688 flat angles C4'-P-C4' energy: -142.029 flat angles P-C4'-P energy: -80.014 tors. eta vs tors. theta energy: -123.016 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: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1681.025486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.025486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.025486 (E_RNA) where: Base-Base interactions energy: -1120.510 where: short stacking energy: -486.510 Base-Backbone interact. energy: -1.376 local terms energy: -559.138854 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -119.330 flat angles C4'-P-C4' energy: -138.609 flat angles P-C4'-P energy: -79.943 tors. eta vs tors. theta energy: -115.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1496.212871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.212871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.212871 (E_RNA) where: Base-Base interactions energy: -983.723 where: short stacking energy: -452.491 Base-Backbone interact. energy: -0.842 local terms energy: -511.648320 where: bonds (distance) C4'-P energy: -109.646 bonds (distance) P-C4' energy: -118.174 flat angles C4'-P-C4' energy: -122.695 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -96.081 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: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1278.973260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.973260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.973260 (E_RNA) where: Base-Base interactions energy: -800.163 where: short stacking energy: -384.303 Base-Backbone interact. energy: -2.330 local terms energy: -476.480456 where: bonds (distance) C4'-P energy: -105.134 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -78.169 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: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1120.153685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.153685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.153685 (E_RNA) where: Base-Base interactions energy: -675.827 where: short stacking energy: -335.735 Base-Backbone interact. energy: 4.128 local terms energy: -448.455439 where: bonds (distance) C4'-P energy: -103.566 bonds (distance) P-C4' energy: -130.646 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -44.086 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: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -957.576824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.576824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.576824 (E_RNA) where: Base-Base interactions energy: -575.585 where: short stacking energy: -313.606 Base-Backbone interact. energy: 3.100 local terms energy: -385.091132 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -99.811 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -34.413 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: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -789.167943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.167943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.167943 (E_RNA) where: Base-Base interactions energy: -433.924 where: short stacking energy: -244.906 Base-Backbone interact. energy: 1.194 local terms energy: -356.437724 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -119.679 flat angles C4'-P-C4' energy: -82.736 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -8.521 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: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2130.871887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.871887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.871887 (E_RNA) where: Base-Base interactions energy: -1471.979 where: short stacking energy: -614.774 Base-Backbone interact. energy: -4.579 local terms energy: -654.314309 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -146.685 flat angles C4'-P-C4' energy: -144.324 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -143.754 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: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2080.865514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.865514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.865514 (E_RNA) where: Base-Base interactions energy: -1429.693 where: short stacking energy: -619.885 Base-Backbone interact. energy: 3.062 local terms energy: -654.233755 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -139.072 flat angles P-C4'-P energy: -85.906 tors. eta vs tors. theta energy: -162.505 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: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2006.719189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.719189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.719189 (E_RNA) where: Base-Base interactions energy: -1369.827 where: short stacking energy: -579.871 Base-Backbone interact. energy: -2.876 local terms energy: -634.016007 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -135.982 flat angles C4'-P-C4' energy: -129.332 flat angles P-C4'-P energy: -93.814 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: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1717.698860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.698860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.698860 (E_RNA) where: Base-Base interactions energy: -1147.114 where: short stacking energy: -515.657 Base-Backbone interact. energy: -4.215 local terms energy: -566.369619 where: bonds (distance) C4'-P energy: -131.074 bonds (distance) P-C4' energy: -115.473 flat angles C4'-P-C4' energy: -124.631 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -110.005 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: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1649.209688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.209688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.209688 (E_RNA) where: Base-Base interactions energy: -1097.335 where: short stacking energy: -485.402 Base-Backbone interact. energy: 8.924 local terms energy: -560.798169 where: bonds (distance) C4'-P energy: -110.197 bonds (distance) P-C4' energy: -119.944 flat angles C4'-P-C4' energy: -132.470 flat angles P-C4'-P energy: -87.455 tors. eta vs tors. theta energy: -110.732 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: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1483.240920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.240920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.240920 (E_RNA) where: Base-Base interactions energy: -976.299 where: short stacking energy: -425.405 Base-Backbone interact. energy: -3.499 local terms energy: -503.442748 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -116.000 flat angles C4'-P-C4' energy: -117.742 flat angles P-C4'-P energy: -75.127 tors. eta vs tors. theta energy: -89.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1341.169294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.169294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.169294 (E_RNA) where: Base-Base interactions energy: -836.198 where: short stacking energy: -378.293 Base-Backbone interact. energy: -5.720 local terms energy: -499.251132 where: bonds (distance) C4'-P energy: -116.572 bonds (distance) P-C4' energy: -135.442 flat angles C4'-P-C4' energy: -106.071 flat angles P-C4'-P energy: -74.400 tors. eta vs tors. theta energy: -66.767 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: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1133.226903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.226903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.226903 (E_RNA) where: Base-Base interactions energy: -704.357 where: short stacking energy: -348.409 Base-Backbone interact. energy: -0.218 local terms energy: -428.651506 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -106.573 flat angles C4'-P-C4' energy: -115.032 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: -44.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -940.289526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.289526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.289526 (E_RNA) where: Base-Base interactions energy: -538.879 where: short stacking energy: -254.909 Base-Backbone interact. energy: -1.359 local terms energy: -400.051463 where: bonds (distance) C4'-P energy: -94.238 bonds (distance) P-C4' energy: -115.528 flat angles C4'-P-C4' energy: -99.215 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -24.522 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: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -787.119998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.119998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.119998 (E_RNA) where: Base-Base interactions energy: -417.147 where: short stacking energy: -230.786 Base-Backbone interact. energy: 2.539 local terms energy: -372.512669 where: bonds (distance) C4'-P energy: -114.121 bonds (distance) P-C4' energy: -113.064 flat angles C4'-P-C4' energy: -91.570 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: 0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2122.828913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.828913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.828913 (E_RNA) where: Base-Base interactions energy: -1464.319 where: short stacking energy: -633.960 Base-Backbone interact. energy: -3.276 local terms energy: -655.233268 where: bonds (distance) C4'-P energy: -121.168 bonds (distance) P-C4' energy: -135.395 flat angles C4'-P-C4' energy: -150.213 flat angles P-C4'-P energy: -98.955 tors. eta vs tors. theta energy: -149.503 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: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2106.075272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.075272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.075272 (E_RNA) where: Base-Base interactions energy: -1427.954 where: short stacking energy: -596.078 Base-Backbone interact. energy: -8.465 local terms energy: -669.656711 where: bonds (distance) C4'-P energy: -142.453 bonds (distance) P-C4' energy: -131.900 flat angles C4'-P-C4' energy: -143.201 flat angles P-C4'-P energy: -92.738 tors. eta vs tors. theta energy: -159.364 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: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1922.400273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.400273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.400273 (E_RNA) where: Base-Base interactions energy: -1336.995 where: short stacking energy: -577.967 Base-Backbone interact. energy: 0.896 local terms energy: -586.301233 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -111.726 flat angles C4'-P-C4' energy: -137.365 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -137.467 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: 4 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1712.863816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.863816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.863816 (E_RNA) where: Base-Base interactions energy: -1165.532 where: short stacking energy: -504.495 Base-Backbone interact. energy: 1.491 local terms energy: -548.822544 where: bonds (distance) C4'-P energy: -112.419 bonds (distance) P-C4' energy: -116.174 flat angles C4'-P-C4' energy: -119.422 flat angles P-C4'-P energy: -88.458 tors. eta vs tors. theta energy: -112.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1634.200384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.200384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.200384 (E_RNA) where: Base-Base interactions energy: -1105.537 where: short stacking energy: -488.288 Base-Backbone interact. energy: 7.527 local terms energy: -536.191069 where: bonds (distance) C4'-P energy: -118.597 bonds (distance) P-C4' energy: -97.021 flat angles C4'-P-C4' energy: -132.335 flat angles P-C4'-P energy: -80.027 tors. eta vs tors. theta energy: -108.212 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: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1522.285673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.285673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.285673 (E_RNA) where: Base-Base interactions energy: -1025.480 where: short stacking energy: -455.747 Base-Backbone interact. energy: 1.622 local terms energy: -498.428035 where: bonds (distance) C4'-P energy: -97.655 bonds (distance) P-C4' energy: -114.797 flat angles C4'-P-C4' energy: -120.607 flat angles P-C4'-P energy: -69.384 tors. eta vs tors. theta energy: -95.985 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: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1379.548077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.548077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.548077 (E_RNA) where: Base-Base interactions energy: -932.326 where: short stacking energy: -423.005 Base-Backbone interact. energy: -1.322 local terms energy: -445.899745 where: bonds (distance) C4'-P energy: -100.775 bonds (distance) P-C4' energy: -102.263 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -64.165 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: 47 Temperature: 1.250000 Total energy: -1129.598154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.598154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.598154 (E_RNA) where: Base-Base interactions energy: -713.691 where: short stacking energy: -333.011 Base-Backbone interact. energy: 2.246 local terms energy: -418.153205 where: bonds (distance) C4'-P energy: -76.186 bonds (distance) P-C4' energy: -116.874 flat angles C4'-P-C4' energy: -103.303 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -63.288 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: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -914.314443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.314443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.314443 (E_RNA) where: Base-Base interactions energy: -481.141 where: short stacking energy: -235.458 Base-Backbone interact. energy: 2.790 local terms energy: -435.963018 where: bonds (distance) C4'-P energy: -105.204 bonds (distance) P-C4' energy: -127.118 flat angles C4'-P-C4' energy: -106.595 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -33.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -748.740508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.740508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.740508 (E_RNA) where: Base-Base interactions energy: -376.647 where: short stacking energy: -217.855 Base-Backbone interact. energy: -1.008 local terms energy: -371.085381 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -108.967 flat angles C4'-P-C4' energy: -96.594 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: 5.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2145.498364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.498364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.498364 (E_RNA) where: Base-Base interactions energy: -1493.076 where: short stacking energy: -629.950 Base-Backbone interact. energy: -4.299 local terms energy: -648.123499 where: bonds (distance) C4'-P energy: -123.436 bonds (distance) P-C4' energy: -123.525 flat angles C4'-P-C4' energy: -138.192 flat angles P-C4'-P energy: -100.388 tors. eta vs tors. theta energy: -162.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2077.686456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.686456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.686456 (E_RNA) where: Base-Base interactions energy: -1439.239 where: short stacking energy: -594.552 Base-Backbone interact. energy: -2.151 local terms energy: -636.296920 where: bonds (distance) C4'-P energy: -125.338 bonds (distance) P-C4' energy: -124.366 flat angles C4'-P-C4' energy: -132.124 flat angles P-C4'-P energy: -92.882 tors. eta vs tors. theta energy: -161.587 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: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1945.404417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.404417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.404417 (E_RNA) where: Base-Base interactions energy: -1345.921 where: short stacking energy: -589.716 Base-Backbone interact. energy: -0.761 local terms energy: -598.722093 where: bonds (distance) C4'-P energy: -127.081 bonds (distance) P-C4' energy: -114.529 flat angles C4'-P-C4' energy: -138.478 flat angles P-C4'-P energy: -72.919 tors. eta vs tors. theta energy: -145.715 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1753.817924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.817924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.817924 (E_RNA) where: Base-Base interactions energy: -1186.346 where: short stacking energy: -514.653 Base-Backbone interact. energy: 0.242 local terms energy: -567.714554 where: bonds (distance) C4'-P energy: -119.923 bonds (distance) P-C4' energy: -110.024 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -73.807 tors. eta vs tors. theta energy: -119.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1709.541358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.541358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.541358 (E_RNA) where: Base-Base interactions energy: -1129.491 where: short stacking energy: -545.054 Base-Backbone interact. energy: -3.005 local terms energy: -577.045185 where: bonds (distance) C4'-P energy: -114.227 bonds (distance) P-C4' energy: -111.487 flat angles C4'-P-C4' energy: -137.939 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -128.849 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: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1531.279076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.279076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.279076 (E_RNA) where: Base-Base interactions energy: -992.753 where: short stacking energy: -440.183 Base-Backbone interact. energy: -2.068 local terms energy: -536.458120 where: bonds (distance) C4'-P energy: -124.025 bonds (distance) P-C4' energy: -111.665 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -113.762 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: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1366.786713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.786713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.786713 (E_RNA) where: Base-Base interactions energy: -869.136 where: short stacking energy: -412.964 Base-Backbone interact. energy: 2.815 local terms energy: -500.465625 where: bonds (distance) C4'-P energy: -108.361 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -103.283 flat angles P-C4'-P energy: -87.443 tors. eta vs tors. theta energy: -92.147 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: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1104.865208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.865208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.865208 (E_RNA) where: Base-Base interactions energy: -695.429 where: short stacking energy: -324.717 Base-Backbone interact. energy: 0.396 local terms energy: -409.831898 where: bonds (distance) C4'-P energy: -93.221 bonds (distance) P-C4' energy: -114.136 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -54.171 tors. eta vs tors. theta energy: -42.007 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: 9, replica: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1025.145286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.145286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.145286 (E_RNA) where: Base-Base interactions energy: -602.718 where: short stacking energy: -287.313 Base-Backbone interact. energy: 0.465 local terms energy: -422.891354 where: bonds (distance) C4'-P energy: -108.015 bonds (distance) P-C4' energy: -110.615 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -61.119 tors. eta vs tors. theta energy: -39.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -793.648336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.648336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.648336 (E_RNA) where: Base-Base interactions energy: -384.758 where: short stacking energy: -230.573 Base-Backbone interact. energy: 2.487 local terms energy: -411.377614 where: bonds (distance) C4'-P energy: -111.870 bonds (distance) P-C4' energy: -106.110 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -72.648 tors. eta vs tors. theta energy: -16.073 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: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2120.972669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.972669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.972669 (E_RNA) where: Base-Base interactions energy: -1459.924 where: short stacking energy: -625.355 Base-Backbone interact. energy: -3.971 local terms energy: -657.077466 where: bonds (distance) C4'-P energy: -124.827 bonds (distance) P-C4' energy: -133.077 flat angles C4'-P-C4' energy: -149.401 flat angles P-C4'-P energy: -98.109 tors. eta vs tors. theta energy: -151.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2100.097302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.097302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.097302 (E_RNA) where: Base-Base interactions energy: -1453.369 where: short stacking energy: -604.443 Base-Backbone interact. energy: -1.624 local terms energy: -645.104695 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -128.268 flat angles C4'-P-C4' energy: -150.086 flat angles P-C4'-P energy: -91.652 tors. eta vs tors. theta energy: -150.682 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: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2030.826921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.826921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.826921 (E_RNA) where: Base-Base interactions energy: -1381.024 where: short stacking energy: -587.247 Base-Backbone interact. energy: -2.895 local terms energy: -646.907557 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -133.982 flat angles C4'-P-C4' energy: -126.724 flat angles P-C4'-P energy: -91.166 tors. eta vs tors. theta energy: -172.114 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: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1765.841387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.841387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.841387 (E_RNA) where: Base-Base interactions energy: -1163.719 where: short stacking energy: -535.182 Base-Backbone interact. energy: -1.027 local terms energy: -601.095340 where: bonds (distance) C4'-P energy: -118.376 bonds (distance) P-C4' energy: -130.050 flat angles C4'-P-C4' energy: -127.313 flat angles P-C4'-P energy: -90.331 tors. eta vs tors. theta energy: -135.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1699.978830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.978830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.978830 (E_RNA) where: Base-Base interactions energy: -1113.042 where: short stacking energy: -506.660 Base-Backbone interact. energy: -0.437 local terms energy: -586.500083 where: bonds (distance) C4'-P energy: -121.128 bonds (distance) P-C4' energy: -121.687 flat angles C4'-P-C4' energy: -135.057 flat angles P-C4'-P energy: -77.663 tors. eta vs tors. theta energy: -130.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1574.481379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.481379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.481379 (E_RNA) where: Base-Base interactions energy: -1033.269 where: short stacking energy: -445.286 Base-Backbone interact. energy: 2.300 local terms energy: -543.512266 where: bonds (distance) C4'-P energy: -106.761 bonds (distance) P-C4' energy: -123.323 flat angles C4'-P-C4' energy: -129.501 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -109.169 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: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1320.932000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.932000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.932000 (E_RNA) where: Base-Base interactions energy: -855.648 where: short stacking energy: -384.464 Base-Backbone interact. energy: -1.926 local terms energy: -463.357830 where: bonds (distance) C4'-P energy: -91.821 bonds (distance) P-C4' energy: -115.859 flat angles C4'-P-C4' energy: -120.409 flat angles P-C4'-P energy: -70.660 tors. eta vs tors. theta energy: -64.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -996.660165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.660165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.660165 (E_RNA) where: Base-Base interactions energy: -578.246 where: short stacking energy: -312.820 Base-Backbone interact. energy: 1.489 local terms energy: -419.902704 where: bonds (distance) C4'-P energy: -93.372 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -100.465 flat angles P-C4'-P energy: -62.446 tors. eta vs tors. theta energy: -43.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1033.576245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.576245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.576245 (E_RNA) where: Base-Base interactions energy: -622.629 where: short stacking energy: -287.793 Base-Backbone interact. energy: 0.273 local terms energy: -411.220569 where: bonds (distance) C4'-P energy: -85.353 bonds (distance) P-C4' energy: -118.089 flat angles C4'-P-C4' energy: -111.930 flat angles P-C4'-P energy: -72.472 tors. eta vs tors. theta energy: -23.375 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: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -772.986982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.986982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.986982 (E_RNA) where: Base-Base interactions energy: -399.842 where: short stacking energy: -205.587 Base-Backbone interact. energy: 0.546 local terms energy: -373.691167 where: bonds (distance) C4'-P energy: -91.341 bonds (distance) P-C4' energy: -113.789 flat angles C4'-P-C4' energy: -99.087 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -6.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2156.098682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.098682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.098682 (E_RNA) where: Base-Base interactions energy: -1486.994 where: short stacking energy: -622.566 Base-Backbone interact. energy: -7.250 local terms energy: -661.854994 where: bonds (distance) C4'-P energy: -144.393 bonds (distance) P-C4' energy: -136.014 flat angles C4'-P-C4' energy: -134.576 flat angles P-C4'-P energy: -84.044 tors. eta vs tors. theta energy: -162.827 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: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2047.589288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.589288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.589288 (E_RNA) where: Base-Base interactions energy: -1410.855 where: short stacking energy: -619.750 Base-Backbone interact. energy: -2.663 local terms energy: -634.071287 where: bonds (distance) C4'-P energy: -118.945 bonds (distance) P-C4' energy: -134.159 flat angles C4'-P-C4' energy: -137.439 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -153.987 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: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2051.468198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.468198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.468198 (E_RNA) where: Base-Base interactions energy: -1394.951 where: short stacking energy: -610.906 Base-Backbone interact. energy: -3.081 local terms energy: -653.436428 where: bonds (distance) C4'-P energy: -129.524 bonds (distance) P-C4' energy: -126.962 flat angles C4'-P-C4' energy: -143.403 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -162.282 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: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1786.315162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.315162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.315162 (E_RNA) where: Base-Base interactions energy: -1195.798 where: short stacking energy: -528.120 Base-Backbone interact. energy: -3.755 local terms energy: -586.761968 where: bonds (distance) C4'-P energy: -114.545 bonds (distance) P-C4' energy: -122.066 flat angles C4'-P-C4' energy: -133.307 flat angles P-C4'-P energy: -89.196 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: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1667.760005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.760005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.760005 (E_RNA) where: Base-Base interactions energy: -1118.974 where: short stacking energy: -490.526 Base-Backbone interact. energy: 2.661 local terms energy: -551.447336 where: bonds (distance) C4'-P energy: -99.844 bonds (distance) P-C4' energy: -127.999 flat angles C4'-P-C4' energy: -136.567 flat angles P-C4'-P energy: -76.955 tors. eta vs tors. theta energy: -110.083 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: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1626.612053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.612053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.612053 (E_RNA) where: Base-Base interactions energy: -1063.838 where: short stacking energy: -477.816 Base-Backbone interact. energy: 2.050 local terms energy: -564.823797 where: bonds (distance) C4'-P energy: -110.609 bonds (distance) P-C4' energy: -122.560 flat angles C4'-P-C4' energy: -132.964 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -129.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1316.121119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.121119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.121119 (E_RNA) where: Base-Base interactions energy: -834.492 where: short stacking energy: -415.234 Base-Backbone interact. energy: -3.354 local terms energy: -478.274890 where: bonds (distance) C4'-P energy: -101.362 bonds (distance) P-C4' energy: -100.893 flat angles C4'-P-C4' energy: -123.626 flat angles P-C4'-P energy: -76.504 tors. eta vs tors. theta energy: -75.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1045.630712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.630712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.630712 (E_RNA) where: Base-Base interactions energy: -593.751 where: short stacking energy: -313.187 Base-Backbone interact. energy: -0.849 local terms energy: -451.030561 where: bonds (distance) C4'-P energy: -106.760 bonds (distance) P-C4' energy: -118.234 flat angles C4'-P-C4' energy: -115.171 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -49.768 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: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1092.972190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.972190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.972190 (E_RNA) where: Base-Base interactions energy: -680.806 where: short stacking energy: -309.209 Base-Backbone interact. energy: -1.740 local terms energy: -410.425982 where: bonds (distance) C4'-P energy: -97.578 bonds (distance) P-C4' energy: -103.601 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -69.129 tors. eta vs tors. theta energy: -41.722 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: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -647.117789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.117789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.117789 (E_RNA) where: Base-Base interactions energy: -325.833 where: short stacking energy: -197.655 Base-Backbone interact. energy: 8.115 local terms energy: -329.400227 where: bonds (distance) C4'-P energy: -111.634 bonds (distance) P-C4' energy: -96.241 flat angles C4'-P-C4' energy: -103.662 flat angles P-C4'-P energy: -44.588 tors. eta vs tors. theta energy: 26.725 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: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2161.146502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.146502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.146502 (E_RNA) where: Base-Base interactions energy: -1495.416 where: short stacking energy: -614.567 Base-Backbone interact. energy: 1.382 local terms energy: -667.111520 where: bonds (distance) C4'-P energy: -147.657 bonds (distance) P-C4' energy: -120.211 flat angles C4'-P-C4' energy: -133.809 flat angles P-C4'-P energy: -98.369 tors. eta vs tors. theta energy: -167.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2037.580175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.580175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.580175 (E_RNA) where: Base-Base interactions energy: -1410.109 where: short stacking energy: -599.558 Base-Backbone interact. energy: -6.179 local terms energy: -621.292345 where: bonds (distance) C4'-P energy: -115.493 bonds (distance) P-C4' energy: -115.962 flat angles C4'-P-C4' energy: -138.627 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -159.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2023.895385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.895385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.895385 (E_RNA) where: Base-Base interactions energy: -1421.369 where: short stacking energy: -594.771 Base-Backbone interact. energy: -4.165 local terms energy: -598.360742 where: bonds (distance) C4'-P energy: -113.918 bonds (distance) P-C4' energy: -123.809 flat angles C4'-P-C4' energy: -134.906 flat angles P-C4'-P energy: -77.110 tors. eta vs tors. theta energy: -148.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1789.261518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.261518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.261518 (E_RNA) where: Base-Base interactions energy: -1173.664 where: short stacking energy: -519.151 Base-Backbone interact. energy: -3.955 local terms energy: -611.642067 where: bonds (distance) C4'-P energy: -116.954 bonds (distance) P-C4' energy: -120.543 flat angles C4'-P-C4' energy: -134.483 flat angles P-C4'-P energy: -96.094 tors. eta vs tors. theta energy: -143.569 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: 51 Temperature: 1.100000 Total energy: -1741.371518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.371518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.371518 (E_RNA) where: Base-Base interactions energy: -1163.040 where: short stacking energy: -524.082 Base-Backbone interact. energy: -5.054 local terms energy: -573.277962 where: bonds (distance) C4'-P energy: -112.393 bonds (distance) P-C4' energy: -127.745 flat angles C4'-P-C4' energy: -131.055 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -123.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1563.231275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.231275 (E_RNA) where: Base-Base interactions energy: -1011.616 where: short stacking energy: -477.083 Base-Backbone interact. energy: -2.135 local terms energy: -549.480120 where: bonds (distance) C4'-P energy: -123.190 bonds (distance) P-C4' energy: -116.797 flat angles C4'-P-C4' energy: -129.984 flat angles P-C4'-P energy: -63.771 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: 7, replica: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1373.937009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.937009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.937009 (E_RNA) where: Base-Base interactions energy: -864.930 where: short stacking energy: -424.975 Base-Backbone interact. energy: -1.578 local terms energy: -507.429646 where: bonds (distance) C4'-P energy: -121.384 bonds (distance) P-C4' energy: -100.477 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -79.149 tors. eta vs tors. theta energy: -89.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1082.992829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.992829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.992829 (E_RNA) where: Base-Base interactions energy: -649.514 where: short stacking energy: -344.301 Base-Backbone interact. energy: -0.342 local terms energy: -433.137418 where: bonds (distance) C4'-P energy: -98.991 bonds (distance) P-C4' energy: -118.243 flat angles C4'-P-C4' energy: -102.094 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -53.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1034.422451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.422451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.422451 (E_RNA) where: Base-Base interactions energy: -639.782 where: short stacking energy: -315.236 Base-Backbone interact. energy: 0.658 local terms energy: -395.297745 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -120.206 flat angles C4'-P-C4' energy: -100.436 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -39.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -668.361708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.361708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.361708 (E_RNA) where: Base-Base interactions energy: -302.745 where: short stacking energy: -212.365 Base-Backbone interact. energy: -2.660 local terms energy: -362.956672 where: bonds (distance) C4'-P energy: -83.093 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2140.955322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.955322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.955322 (E_RNA) where: Base-Base interactions energy: -1482.234 where: short stacking energy: -622.199 Base-Backbone interact. energy: 2.979 local terms energy: -661.701283 where: bonds (distance) C4'-P energy: -138.656 bonds (distance) P-C4' energy: -131.627 flat angles C4'-P-C4' energy: -134.333 flat angles P-C4'-P energy: -95.468 tors. eta vs tors. theta energy: -161.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2042.095432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.095432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.095432 (E_RNA) where: Base-Base interactions energy: -1430.505 where: short stacking energy: -591.635 Base-Backbone interact. energy: -5.025 local terms energy: -606.565361 where: bonds (distance) C4'-P energy: -115.188 bonds (distance) P-C4' energy: -117.874 flat angles C4'-P-C4' energy: -133.615 flat angles P-C4'-P energy: -88.120 tors. eta vs tors. theta energy: -151.769 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: 9 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2071.167900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.167900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.167900 (E_RNA) where: Base-Base interactions energy: -1421.499 where: short stacking energy: -592.581 Base-Backbone interact. energy: 0.489 local terms energy: -650.158139 where: bonds (distance) C4'-P energy: -127.051 bonds (distance) P-C4' energy: -129.515 flat angles C4'-P-C4' energy: -148.039 flat angles P-C4'-P energy: -91.510 tors. eta vs tors. theta energy: -154.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1833.964203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.964203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.964203 (E_RNA) where: Base-Base interactions energy: -1234.580 where: short stacking energy: -589.960 Base-Backbone interact. energy: 0.204 local terms energy: -599.587318 where: bonds (distance) C4'-P energy: -115.929 bonds (distance) P-C4' energy: -122.095 flat angles C4'-P-C4' energy: -133.055 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -143.120 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: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1718.814940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.814940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.814940 (E_RNA) where: Base-Base interactions energy: -1147.290 where: short stacking energy: -495.613 Base-Backbone interact. energy: -2.047 local terms energy: -569.477639 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -123.115 flat angles C4'-P-C4' energy: -123.364 flat angles P-C4'-P energy: -78.918 tors. eta vs tors. theta energy: -123.328 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: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1544.472198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.472198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.472198 (E_RNA) where: Base-Base interactions energy: -1017.451 where: short stacking energy: -457.076 Base-Backbone interact. energy: -3.243 local terms energy: -523.778075 where: bonds (distance) C4'-P energy: -104.929 bonds (distance) P-C4' energy: -112.786 flat angles C4'-P-C4' energy: -124.684 flat angles P-C4'-P energy: -73.414 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: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1367.578417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.578417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.578417 (E_RNA) where: Base-Base interactions energy: -871.486 where: short stacking energy: -422.815 Base-Backbone interact. energy: 0.538 local terms energy: -496.630077 where: bonds (distance) C4'-P energy: -106.303 bonds (distance) P-C4' energy: -107.752 flat angles C4'-P-C4' energy: -113.801 flat angles P-C4'-P energy: -91.905 tors. eta vs tors. theta energy: -76.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1070.158476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.158476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.158476 (E_RNA) where: Base-Base interactions energy: -656.825 where: short stacking energy: -320.262 Base-Backbone interact. energy: -3.180 local terms energy: -410.153266 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -103.712 flat angles C4'-P-C4' energy: -93.415 flat angles P-C4'-P energy: -73.425 tors. eta vs tors. theta energy: -45.393 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: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1031.747252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.747252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.747252 (E_RNA) where: Base-Base interactions energy: -631.775 where: short stacking energy: -295.201 Base-Backbone interact. energy: 2.662 local terms energy: -402.634103 where: bonds (distance) C4'-P energy: -108.271 bonds (distance) P-C4' energy: -118.499 flat angles C4'-P-C4' energy: -88.951 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -37.557 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: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -628.771641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.771641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.771641 (E_RNA) where: Base-Base interactions energy: -282.808 where: short stacking energy: -164.271 Base-Backbone interact. energy: 0.759 local terms energy: -346.721923 where: bonds (distance) C4'-P energy: -101.778 bonds (distance) P-C4' energy: -100.342 flat angles C4'-P-C4' energy: -94.503 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: 10.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2155.160423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.160423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.160423 (E_RNA) where: Base-Base interactions energy: -1524.904 where: short stacking energy: -631.868 Base-Backbone interact. energy: -3.086 local terms energy: -627.170718 where: bonds (distance) C4'-P energy: -127.158 bonds (distance) P-C4' energy: -118.261 flat angles C4'-P-C4' energy: -130.004 flat angles P-C4'-P energy: -96.746 tors. eta vs tors. theta energy: -155.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2176.194916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.194916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.194916 (E_RNA) where: Base-Base interactions energy: -1501.929 where: short stacking energy: -646.945 Base-Backbone interact. energy: -2.916 local terms energy: -671.349448 where: bonds (distance) C4'-P energy: -128.091 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -146.535 flat angles P-C4'-P energy: -97.333 tors. eta vs tors. theta energy: -168.600 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: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2021.511449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.511449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.511449 (E_RNA) where: Base-Base interactions energy: -1379.168 where: short stacking energy: -582.311 Base-Backbone interact. energy: -5.074 local terms energy: -637.269525 where: bonds (distance) C4'-P energy: -117.652 bonds (distance) P-C4' energy: -131.303 flat angles C4'-P-C4' energy: -135.522 flat angles P-C4'-P energy: -79.347 tors. eta vs tors. theta energy: -173.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1845.214656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.214656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.214656 (E_RNA) where: Base-Base interactions energy: -1226.458 where: short stacking energy: -569.590 Base-Backbone interact. energy: -3.882 local terms energy: -614.874698 where: bonds (distance) C4'-P energy: -120.157 bonds (distance) P-C4' energy: -140.792 flat angles C4'-P-C4' energy: -132.254 flat angles P-C4'-P energy: -84.867 tors. eta vs tors. theta energy: -136.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1723.691395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.691395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.691395 (E_RNA) where: Base-Base interactions energy: -1149.085 where: short stacking energy: -493.501 Base-Backbone interact. energy: 0.084 local terms energy: -574.689953 where: bonds (distance) C4'-P energy: -115.097 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -117.760 flat angles P-C4'-P energy: -94.207 tors. eta vs tors. theta energy: -122.219 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: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1530.514609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.514609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.514609 (E_RNA) where: Base-Base interactions energy: -994.329 where: short stacking energy: -434.201 Base-Backbone interact. energy: 1.817 local terms energy: -538.003146 where: bonds (distance) C4'-P energy: -118.039 bonds (distance) P-C4' energy: -111.778 flat angles C4'-P-C4' energy: -121.614 flat angles P-C4'-P energy: -88.701 tors. eta vs tors. theta energy: -97.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1341.289615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.289615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.289615 (E_RNA) where: Base-Base interactions energy: -864.838 where: short stacking energy: -418.648 Base-Backbone interact. energy: -0.259 local terms energy: -476.193260 where: bonds (distance) C4'-P energy: -111.895 bonds (distance) P-C4' energy: -95.914 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -81.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1028.438311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.438311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.438311 (E_RNA) where: Base-Base interactions energy: -608.187 where: short stacking energy: -273.196 Base-Backbone interact. energy: -0.913 local terms energy: -419.337719 where: bonds (distance) C4'-P energy: -106.255 bonds (distance) P-C4' energy: -111.153 flat angles C4'-P-C4' energy: -95.982 flat angles P-C4'-P energy: -76.905 tors. eta vs tors. theta energy: -29.042 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: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1036.491515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.491515 (E_RNA) where: Base-Base interactions energy: -623.195 where: short stacking energy: -301.172 Base-Backbone interact. energy: -1.771 local terms energy: -411.525262 where: bonds (distance) C4'-P energy: -111.513 bonds (distance) P-C4' energy: -100.299 flat angles C4'-P-C4' energy: -103.651 flat angles P-C4'-P energy: -59.000 tors. eta vs tors. theta energy: -37.062 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: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -693.966556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.966556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.966556 (E_RNA) where: Base-Base interactions energy: -334.371 where: short stacking energy: -226.806 Base-Backbone interact. energy: 2.750 local terms energy: -362.345692 where: bonds (distance) C4'-P energy: -80.577 bonds (distance) P-C4' energy: -113.332 flat angles C4'-P-C4' energy: -98.305 flat angles P-C4'-P energy: -67.517 tors. eta vs tors. theta energy: -2.614 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: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2175.558519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.558519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.558519 (E_RNA) where: Base-Base interactions energy: -1505.551 where: short stacking energy: -633.628 Base-Backbone interact. energy: -1.376 local terms energy: -668.632036 where: bonds (distance) C4'-P energy: -137.410 bonds (distance) P-C4' energy: -134.933 flat angles C4'-P-C4' energy: -151.385 flat angles P-C4'-P energy: -87.648 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: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2111.672437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.672437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.672437 (E_RNA) where: Base-Base interactions energy: -1494.208 where: short stacking energy: -607.900 Base-Backbone interact. energy: 1.528 local terms energy: -618.992019 where: bonds (distance) C4'-P energy: -114.976 bonds (distance) P-C4' energy: -126.513 flat angles C4'-P-C4' energy: -133.584 flat angles P-C4'-P energy: -87.951 tors. eta vs tors. theta energy: -155.968 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: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2013.913829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.913829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.913829 (E_RNA) where: Base-Base interactions energy: -1357.750 where: short stacking energy: -590.639 Base-Backbone interact. energy: 1.477 local terms energy: -657.640443 where: bonds (distance) C4'-P energy: -122.925 bonds (distance) P-C4' energy: -136.761 flat angles C4'-P-C4' energy: -134.089 flat angles P-C4'-P energy: -94.058 tors. eta vs tors. theta energy: -169.809 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: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1851.894057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.894057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.894057 (E_RNA) where: Base-Base interactions energy: -1265.195 where: short stacking energy: -541.115 Base-Backbone interact. energy: -5.836 local terms energy: -580.863263 where: bonds (distance) C4'-P energy: -122.877 bonds (distance) P-C4' energy: -117.177 flat angles C4'-P-C4' energy: -126.414 flat angles P-C4'-P energy: -86.383 tors. eta vs tors. theta energy: -128.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1686.257781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.257781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.257781 (E_RNA) where: Base-Base interactions energy: -1109.284 where: short stacking energy: -482.713 Base-Backbone interact. energy: -4.192 local terms energy: -572.781813 where: bonds (distance) C4'-P energy: -122.557 bonds (distance) P-C4' energy: -123.155 flat angles C4'-P-C4' energy: -141.595 flat angles P-C4'-P energy: -81.643 tors. eta vs tors. theta energy: -103.833 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: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1458.418037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.418037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.418037 (E_RNA) where: Base-Base interactions energy: -979.550 where: short stacking energy: -463.221 Base-Backbone interact. energy: 0.754 local terms energy: -479.622091 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -103.619 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -59.869 tors. eta vs tors. theta energy: -102.581 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: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1336.146829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.146829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.146829 (E_RNA) where: Base-Base interactions energy: -825.694 where: short stacking energy: -425.487 Base-Backbone interact. energy: -3.675 local terms energy: -506.777976 where: bonds (distance) C4'-P energy: -113.646 bonds (distance) P-C4' energy: -114.876 flat angles C4'-P-C4' energy: -115.493 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -81.983 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: 54 Temperature: 1.250000 Total energy: -1095.531158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.531158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.531158 (E_RNA) where: Base-Base interactions energy: -660.648 where: short stacking energy: -357.347 Base-Backbone interact. energy: 2.676 local terms energy: -437.558560 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -109.868 flat angles C4'-P-C4' energy: -104.553 flat angles P-C4'-P energy: -60.074 tors. eta vs tors. theta energy: -66.535 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: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1032.374512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.374512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.374512 (E_RNA) where: Base-Base interactions energy: -626.949 where: short stacking energy: -290.538 Base-Backbone interact. energy: 2.113 local terms energy: -407.539294 where: bonds (distance) C4'-P energy: -104.239 bonds (distance) P-C4' energy: -111.188 flat angles C4'-P-C4' energy: -96.036 flat angles P-C4'-P energy: -59.370 tors. eta vs tors. theta energy: -36.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -646.365850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.365850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.365850 (E_RNA) where: Base-Base interactions energy: -304.781 where: short stacking energy: -166.003 Base-Backbone interact. energy: 1.628 local terms energy: -343.212531 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -113.328 flat angles C4'-P-C4' energy: -81.183 flat angles P-C4'-P energy: -62.003 tors. eta vs tors. theta energy: 6.075 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: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2194.279829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.279829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.279829 (E_RNA) where: Base-Base interactions energy: -1537.579 where: short stacking energy: -629.042 Base-Backbone interact. energy: -0.664 local terms energy: -656.036757 where: bonds (distance) C4'-P energy: -120.632 bonds (distance) P-C4' energy: -131.004 flat angles C4'-P-C4' energy: -133.400 flat angles P-C4'-P energy: -100.630 tors. eta vs tors. theta energy: -170.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2102.456194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.456194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.456194 (E_RNA) where: Base-Base interactions energy: -1452.898 where: short stacking energy: -610.743 Base-Backbone interact. energy: -2.550 local terms energy: -647.008377 where: bonds (distance) C4'-P energy: -135.609 bonds (distance) P-C4' energy: -127.285 flat angles C4'-P-C4' energy: -136.565 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -156.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2013.294669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.294669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.294669 (E_RNA) where: Base-Base interactions energy: -1391.893 where: short stacking energy: -598.030 Base-Backbone interact. energy: -1.936 local terms energy: -619.465375 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -143.151 flat angles P-C4'-P energy: -78.602 tors. eta vs tors. theta energy: -159.054 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: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1859.871704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.871704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.871704 (E_RNA) where: Base-Base interactions energy: -1251.626 where: short stacking energy: -541.125 Base-Backbone interact. energy: -4.083 local terms energy: -604.163296 where: bonds (distance) C4'-P energy: -129.405 bonds (distance) P-C4' energy: -139.259 flat angles C4'-P-C4' energy: -128.115 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -142.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1689.840987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.840987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.840987 (E_RNA) where: Base-Base interactions energy: -1161.024 where: short stacking energy: -505.347 Base-Backbone interact. energy: 0.932 local terms energy: -529.748870 where: bonds (distance) C4'-P energy: -99.416 bonds (distance) P-C4' energy: -126.783 flat angles C4'-P-C4' energy: -120.897 flat angles P-C4'-P energy: -76.830 tors. eta vs tors. theta energy: -105.823 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: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1531.190277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.190277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.190277 (E_RNA) where: Base-Base interactions energy: -960.319 where: short stacking energy: -457.108 Base-Backbone interact. energy: -2.253 local terms energy: -568.618120 where: bonds (distance) C4'-P energy: -117.668 bonds (distance) P-C4' energy: -113.675 flat angles C4'-P-C4' energy: -139.882 flat angles P-C4'-P energy: -83.286 tors. eta vs tors. theta energy: -114.107 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: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1338.425095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.425095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.425095 (E_RNA) where: Base-Base interactions energy: -846.165 where: short stacking energy: -399.804 Base-Backbone interact. energy: -0.966 local terms energy: -491.293644 where: bonds (distance) C4'-P energy: -109.348 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -81.815 tors. eta vs tors. theta energy: -76.245 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: 55 Temperature: 1.250000 Total energy: -1144.199143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.199143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.199143 (E_RNA) where: Base-Base interactions energy: -712.332 where: short stacking energy: -351.247 Base-Backbone interact. energy: 3.172 local terms energy: -435.038912 where: bonds (distance) C4'-P energy: -97.643 bonds (distance) P-C4' energy: -123.424 flat angles C4'-P-C4' energy: -106.833 flat angles P-C4'-P energy: -55.736 tors. eta vs tors. theta energy: -51.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1048.550735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.550735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.550735 (E_RNA) where: Base-Base interactions energy: -631.957 where: short stacking energy: -326.771 Base-Backbone interact. energy: -2.194 local terms energy: -414.399058 where: bonds (distance) C4'-P energy: -102.559 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -106.911 flat angles P-C4'-P energy: -48.033 tors. eta vs tors. theta energy: -50.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -635.755842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.755842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.755842 (E_RNA) where: Base-Base interactions energy: -311.025 where: short stacking energy: -198.398 Base-Backbone interact. energy: 3.230 local terms energy: -327.961266 where: bonds (distance) C4'-P energy: -91.925 bonds (distance) P-C4' energy: -105.601 flat angles C4'-P-C4' energy: -83.659 flat angles P-C4'-P energy: -48.336 tors. eta vs tors. theta energy: 1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2178.493922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.493922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.493922 (E_RNA) where: Base-Base interactions energy: -1516.924 where: short stacking energy: -624.144 Base-Backbone interact. energy: -2.133 local terms energy: -659.436663 where: bonds (distance) C4'-P energy: -137.770 bonds (distance) P-C4' energy: -128.371 flat angles C4'-P-C4' energy: -128.311 flat angles P-C4'-P energy: -96.281 tors. eta vs tors. theta energy: -168.704 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: 10 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2112.935957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.935957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.935957 (E_RNA) where: Base-Base interactions energy: -1490.127 where: short stacking energy: -616.849 Base-Backbone interact. energy: -3.101 local terms energy: -619.707935 where: bonds (distance) C4'-P energy: -118.767 bonds (distance) P-C4' energy: -115.719 flat angles C4'-P-C4' energy: -138.880 flat angles P-C4'-P energy: -87.645 tors. eta vs tors. theta energy: -158.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2042.941477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.941477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.941477 (E_RNA) where: Base-Base interactions energy: -1383.833 where: short stacking energy: -607.776 Base-Backbone interact. energy: -3.896 local terms energy: -655.212794 where: bonds (distance) C4'-P energy: -123.411 bonds (distance) P-C4' energy: -129.905 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -89.457 tors. eta vs tors. theta energy: -175.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1847.313019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.313019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.313019 (E_RNA) where: Base-Base interactions energy: -1222.881 where: short stacking energy: -564.255 Base-Backbone interact. energy: -4.720 local terms energy: -619.712290 where: bonds (distance) C4'-P energy: -112.401 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -138.911 flat angles P-C4'-P energy: -91.661 tors. eta vs tors. theta energy: -143.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1724.423886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.423886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.423886 (E_RNA) where: Base-Base interactions energy: -1178.840 where: short stacking energy: -502.932 Base-Backbone interact. energy: -1.386 local terms energy: -544.197824 where: bonds (distance) C4'-P energy: -100.465 bonds (distance) P-C4' energy: -122.057 flat angles C4'-P-C4' energy: -137.221 flat angles P-C4'-P energy: -63.221 tors. eta vs tors. theta energy: -121.235 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1561.548350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.548350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.548350 (E_RNA) where: Base-Base interactions energy: -1022.633 where: short stacking energy: -462.497 Base-Backbone interact. energy: 0.088 local terms energy: -539.002480 where: bonds (distance) C4'-P energy: -112.073 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -140.291 flat angles P-C4'-P energy: -70.021 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: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1324.808052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.808052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.808052 (E_RNA) where: Base-Base interactions energy: -864.937 where: short stacking energy: -373.643 Base-Backbone interact. energy: -3.157 local terms energy: -456.714435 where: bonds (distance) C4'-P energy: -116.953 bonds (distance) P-C4' energy: -95.242 flat angles C4'-P-C4' energy: -111.503 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -61.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1195.729748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.729748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.729748 (E_RNA) where: Base-Base interactions energy: -752.230 where: short stacking energy: -366.202 Base-Backbone interact. energy: 6.564 local terms energy: -450.063431 where: bonds (distance) C4'-P energy: -92.869 bonds (distance) P-C4' energy: -115.989 flat angles C4'-P-C4' energy: -115.686 flat angles P-C4'-P energy: -66.491 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: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -962.867813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.867813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.867813 (E_RNA) where: Base-Base interactions energy: -582.997 where: short stacking energy: -249.465 Base-Backbone interact. energy: -0.676 local terms energy: -379.195332 where: bonds (distance) C4'-P energy: -87.812 bonds (distance) P-C4' energy: -103.526 flat angles C4'-P-C4' energy: -97.841 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -43.687 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: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -653.951715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.951715 (E_RNA) where: Base-Base interactions energy: -274.210 where: short stacking energy: -180.391 Base-Backbone interact. energy: -1.515 local terms energy: -378.226674 where: bonds (distance) C4'-P energy: -118.577 bonds (distance) P-C4' energy: -116.339 flat angles C4'-P-C4' energy: -96.284 flat angles P-C4'-P energy: -44.836 tors. eta vs tors. theta energy: -2.191 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: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2196.111234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.111234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.111234 (E_RNA) where: Base-Base interactions energy: -1515.889 where: short stacking energy: -642.113 Base-Backbone interact. energy: -1.525 local terms energy: -678.697406 where: bonds (distance) C4'-P energy: -136.878 bonds (distance) P-C4' energy: -128.887 flat angles C4'-P-C4' energy: -130.886 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -180.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2129.408779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.408779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.408779 (E_RNA) where: Base-Base interactions energy: -1490.466 where: short stacking energy: -629.887 Base-Backbone interact. energy: 0.968 local terms energy: -639.910450 where: bonds (distance) C4'-P energy: -123.939 bonds (distance) P-C4' energy: -134.348 flat angles C4'-P-C4' energy: -133.343 flat angles P-C4'-P energy: -87.794 tors. eta vs tors. theta energy: -160.486 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: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1999.538721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.538721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.538721 (E_RNA) where: Base-Base interactions energy: -1372.182 where: short stacking energy: -612.365 Base-Backbone interact. energy: -3.940 local terms energy: -623.416593 where: bonds (distance) C4'-P energy: -109.066 bonds (distance) P-C4' energy: -127.651 flat angles C4'-P-C4' energy: -146.683 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -155.928 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: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1858.496749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.496749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.496749 (E_RNA) where: Base-Base interactions energy: -1262.404 where: short stacking energy: -585.975 Base-Backbone interact. energy: -1.633 local terms energy: -594.460391 where: bonds (distance) C4'-P energy: -111.605 bonds (distance) P-C4' energy: -119.914 flat angles C4'-P-C4' energy: -130.720 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -160.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1754.583321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.583321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.583321 (E_RNA) where: Base-Base interactions energy: -1206.123 where: short stacking energy: -523.946 Base-Backbone interact. energy: -2.894 local terms energy: -545.566373 where: bonds (distance) C4'-P energy: -103.401 bonds (distance) P-C4' energy: -124.327 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -65.991 tors. eta vs tors. theta energy: -122.569 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: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1530.781482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.781482 (E_RNA) where: Base-Base interactions energy: -1008.583 where: short stacking energy: -464.119 Base-Backbone interact. energy: 1.013 local terms energy: -523.210772 where: bonds (distance) C4'-P energy: -104.675 bonds (distance) P-C4' energy: -125.752 flat angles C4'-P-C4' energy: -126.506 flat angles P-C4'-P energy: -75.744 tors. eta vs tors. theta energy: -90.534 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: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1398.409432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.409432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.409432 (E_RNA) where: Base-Base interactions energy: -874.732 where: short stacking energy: -424.067 Base-Backbone interact. energy: -1.343 local terms energy: -522.334638 where: bonds (distance) C4'-P energy: -103.514 bonds (distance) P-C4' energy: -110.437 flat angles C4'-P-C4' energy: -119.095 flat angles P-C4'-P energy: -84.114 tors. eta vs tors. theta energy: -105.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1164.593166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.593166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.593166 (E_RNA) where: Base-Base interactions energy: -705.214 where: short stacking energy: -342.421 Base-Backbone interact. energy: 0.925 local terms energy: -460.304093 where: bonds (distance) C4'-P energy: -92.155 bonds (distance) P-C4' energy: -131.574 flat angles C4'-P-C4' energy: -107.865 flat angles P-C4'-P energy: -74.968 tors. eta vs tors. theta energy: -53.742 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: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -922.928675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.928675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.928675 (E_RNA) where: Base-Base interactions energy: -512.068 where: short stacking energy: -254.805 Base-Backbone interact. energy: 4.047 local terms energy: -414.906803 where: bonds (distance) C4'-P energy: -105.569 bonds (distance) P-C4' energy: -113.779 flat angles C4'-P-C4' energy: -108.134 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -23.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -631.126990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.126990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.126990 (E_RNA) where: Base-Base interactions energy: -256.690 where: short stacking energy: -167.725 Base-Backbone interact. energy: -3.157 local terms energy: -371.279989 where: bonds (distance) C4'-P energy: -90.083 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -84.400 flat angles P-C4'-P energy: -83.927 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2190.961945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.961945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.961945 (E_RNA) where: Base-Base interactions energy: -1537.979 where: short stacking energy: -648.965 Base-Backbone interact. energy: -3.070 local terms energy: -649.913328 where: bonds (distance) C4'-P energy: -112.592 bonds (distance) P-C4' energy: -128.920 flat angles C4'-P-C4' energy: -147.810 flat angles P-C4'-P energy: -71.036 tors. eta vs tors. theta energy: -189.556 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: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2132.697573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.697573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.697573 (E_RNA) where: Base-Base interactions energy: -1479.114 where: short stacking energy: -631.124 Base-Backbone interact. energy: -4.224 local terms energy: -649.359601 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -144.188 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -82.251 tors. eta vs tors. theta energy: -149.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1985.835144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.835144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.835144 (E_RNA) where: Base-Base interactions energy: -1344.309 where: short stacking energy: -565.973 Base-Backbone interact. energy: -3.129 local terms energy: -638.396939 where: bonds (distance) C4'-P energy: -114.873 bonds (distance) P-C4' energy: -125.379 flat angles C4'-P-C4' energy: -148.809 flat angles P-C4'-P energy: -101.063 tors. eta vs tors. theta energy: -148.272 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: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1891.732562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.732562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.732562 (E_RNA) where: Base-Base interactions energy: -1310.127 where: short stacking energy: -577.529 Base-Backbone interact. energy: -0.179 local terms energy: -581.426910 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -126.672 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -148.550 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: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1722.386130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.386130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.386130 (E_RNA) where: Base-Base interactions energy: -1157.954 where: short stacking energy: -484.450 Base-Backbone interact. energy: -3.436 local terms energy: -560.996489 where: bonds (distance) C4'-P energy: -111.818 bonds (distance) P-C4' energy: -128.074 flat angles C4'-P-C4' energy: -119.927 flat angles P-C4'-P energy: -83.980 tors. eta vs tors. theta energy: -117.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1508.113848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.113848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.113848 (E_RNA) where: Base-Base interactions energy: -992.341 where: short stacking energy: -453.430 Base-Backbone interact. energy: -2.723 local terms energy: -513.049685 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -130.002 flat angles C4'-P-C4' energy: -120.250 flat angles P-C4'-P energy: -57.302 tors. eta vs tors. theta energy: -96.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1410.022347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.022347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.022347 (E_RNA) where: Base-Base interactions energy: -908.840 where: short stacking energy: -414.845 Base-Backbone interact. energy: -3.920 local terms energy: -497.262890 where: bonds (distance) C4'-P energy: -101.665 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -124.082 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -79.640 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: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1157.980413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.980413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.980413 (E_RNA) where: Base-Base interactions energy: -731.465 where: short stacking energy: -357.261 Base-Backbone interact. energy: 9.068 local terms energy: -435.583806 where: bonds (distance) C4'-P energy: -104.651 bonds (distance) P-C4' energy: -108.276 flat angles C4'-P-C4' energy: -103.394 flat angles P-C4'-P energy: -53.032 tors. eta vs tors. theta energy: -66.231 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: 58 Temperature: 1.300000 Total energy: -896.947919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.947919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.947919 (E_RNA) where: Base-Base interactions energy: -515.056 where: short stacking energy: -268.521 Base-Backbone interact. energy: -2.466 local terms energy: -379.425716 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -114.725 flat angles C4'-P-C4' energy: -91.878 flat angles P-C4'-P energy: -55.595 tors. eta vs tors. theta energy: -13.832 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: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -657.652502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.652502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.652502 (E_RNA) where: Base-Base interactions energy: -332.107 where: short stacking energy: -174.958 Base-Backbone interact. energy: -1.572 local terms energy: -323.973426 where: bonds (distance) C4'-P energy: -102.077 bonds (distance) P-C4' energy: -99.027 flat angles C4'-P-C4' energy: -92.855 flat angles P-C4'-P energy: -44.953 tors. eta vs tors. theta energy: 14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2223.929184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.929184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.929184 (E_RNA) where: Base-Base interactions energy: -1528.186 where: short stacking energy: -648.581 Base-Backbone interact. energy: -2.864 local terms energy: -692.879378 where: bonds (distance) C4'-P energy: -121.102 bonds (distance) P-C4' energy: -134.945 flat angles C4'-P-C4' energy: -144.034 flat angles P-C4'-P energy: -103.853 tors. eta vs tors. theta energy: -188.945 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: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2142.784062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.784062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.784062 (E_RNA) where: Base-Base interactions energy: -1470.896 where: short stacking energy: -624.807 Base-Backbone interact. energy: -3.601 local terms energy: -668.287060 where: bonds (distance) C4'-P energy: -131.834 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -139.769 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -158.273 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1964.845796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.845796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.845796 (E_RNA) where: Base-Base interactions energy: -1341.892 where: short stacking energy: -569.353 Base-Backbone interact. energy: 0.062 local terms energy: -623.015982 where: bonds (distance) C4'-P energy: -123.953 bonds (distance) P-C4' energy: -123.245 flat angles C4'-P-C4' energy: -137.953 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -148.082 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: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1926.454432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.454432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.454432 (E_RNA) where: Base-Base interactions energy: -1303.403 where: short stacking energy: -580.575 Base-Backbone interact. energy: -2.855 local terms energy: -620.196535 where: bonds (distance) C4'-P energy: -137.189 bonds (distance) P-C4' energy: -136.374 flat angles C4'-P-C4' energy: -142.269 flat angles P-C4'-P energy: -73.836 tors. eta vs tors. theta energy: -130.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1731.226460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.226460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.226460 (E_RNA) where: Base-Base interactions energy: -1188.772 where: short stacking energy: -541.205 Base-Backbone interact. energy: 1.078 local terms energy: -543.532848 where: bonds (distance) C4'-P energy: -106.301 bonds (distance) P-C4' energy: -97.917 flat angles C4'-P-C4' energy: -135.006 flat angles P-C4'-P energy: -70.221 tors. eta vs tors. theta energy: -134.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1547.427639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.427639 (E_RNA) where: Base-Base interactions energy: -1007.534 where: short stacking energy: -467.871 Base-Backbone interact. energy: -1.984 local terms energy: -537.910223 where: bonds (distance) C4'-P energy: -105.805 bonds (distance) P-C4' energy: -130.396 flat angles C4'-P-C4' energy: -114.657 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -117.280 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1424.619713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.619713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.619713 (E_RNA) where: Base-Base interactions energy: -919.113 where: short stacking energy: -421.759 Base-Backbone interact. energy: -2.421 local terms energy: -503.085811 where: bonds (distance) C4'-P energy: -104.310 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -120.888 flat angles P-C4'-P energy: -76.813 tors. eta vs tors. theta energy: -86.856 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: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1144.932328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.932328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.932328 (E_RNA) where: Base-Base interactions energy: -713.372 where: short stacking energy: -335.966 Base-Backbone interact. energy: 2.013 local terms energy: -433.573491 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -119.226 flat angles C4'-P-C4' energy: -110.273 flat angles P-C4'-P energy: -53.318 tors. eta vs tors. theta energy: -64.781 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: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -953.029396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.029396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.029396 (E_RNA) where: Base-Base interactions energy: -531.239 where: short stacking energy: -288.482 Base-Backbone interact. energy: -0.350 local terms energy: -421.440180 where: bonds (distance) C4'-P energy: -113.787 bonds (distance) P-C4' energy: -107.569 flat angles C4'-P-C4' energy: -99.400 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: -39.490 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: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -639.371187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.371187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.371187 (E_RNA) where: Base-Base interactions energy: -295.767 where: short stacking energy: -199.459 Base-Backbone interact. energy: 5.859 local terms energy: -349.463318 where: bonds (distance) C4'-P energy: -97.678 bonds (distance) P-C4' energy: -111.616 flat angles C4'-P-C4' energy: -83.520 flat angles P-C4'-P energy: -52.097 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2236.355452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.355452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.355452 (E_RNA) where: Base-Base interactions energy: -1538.009 where: short stacking energy: -683.459 Base-Backbone interact. energy: -3.843 local terms energy: -694.503701 where: bonds (distance) C4'-P energy: -131.884 bonds (distance) P-C4' energy: -124.896 flat angles C4'-P-C4' energy: -146.166 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -189.856 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: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2121.100377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.100377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.100377 (E_RNA) where: Base-Base interactions energy: -1483.885 where: short stacking energy: -612.470 Base-Backbone interact. energy: -0.892 local terms energy: -636.323903 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -122.673 flat angles C4'-P-C4' energy: -152.054 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -163.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2003.767757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.767757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.767757 (E_RNA) where: Base-Base interactions energy: -1364.564 where: short stacking energy: -586.292 Base-Backbone interact. energy: -0.826 local terms energy: -638.377767 where: bonds (distance) C4'-P energy: -134.935 bonds (distance) P-C4' energy: -131.028 flat angles C4'-P-C4' energy: -142.272 flat angles P-C4'-P energy: -80.032 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: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1963.503832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.503832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.503832 (E_RNA) where: Base-Base interactions energy: -1389.765 where: short stacking energy: -574.438 Base-Backbone interact. energy: -0.994 local terms energy: -572.745136 where: bonds (distance) C4'-P energy: -111.235 bonds (distance) P-C4' energy: -104.653 flat angles C4'-P-C4' energy: -123.592 flat angles P-C4'-P energy: -80.094 tors. eta vs tors. theta energy: -153.170 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: 5, replica: 4 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1662.986457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.986457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.986457 (E_RNA) where: Base-Base interactions energy: -1136.616 where: short stacking energy: -455.314 Base-Backbone interact. energy: -1.895 local terms energy: -524.476066 where: bonds (distance) C4'-P energy: -123.111 bonds (distance) P-C4' energy: -116.355 flat angles C4'-P-C4' energy: -111.846 flat angles P-C4'-P energy: -63.426 tors. eta vs tors. theta energy: -109.737 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: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1518.581500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.581500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.581500 (E_RNA) where: Base-Base interactions energy: -999.858 where: short stacking energy: -457.787 Base-Backbone interact. energy: -3.409 local terms energy: -515.314966 where: bonds (distance) C4'-P energy: -113.970 bonds (distance) P-C4' energy: -105.975 flat angles C4'-P-C4' energy: -114.676 flat angles P-C4'-P energy: -67.508 tors. eta vs tors. theta energy: -113.186 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: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1442.661729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.661729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.661729 (E_RNA) where: Base-Base interactions energy: -949.912 where: short stacking energy: -444.671 Base-Backbone interact. energy: -1.461 local terms energy: -491.287823 where: bonds (distance) C4'-P energy: -116.262 bonds (distance) P-C4' energy: -118.342 flat angles C4'-P-C4' energy: -107.700 flat angles P-C4'-P energy: -71.087 tors. eta vs tors. theta energy: -77.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1182.170889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.170889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.170889 (E_RNA) where: Base-Base interactions energy: -752.741 where: short stacking energy: -357.808 Base-Backbone interact. energy: -1.208 local terms energy: -428.222110 where: bonds (distance) C4'-P energy: -102.672 bonds (distance) P-C4' energy: -94.083 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -71.327 tors. eta vs tors. theta energy: -57.249 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: 60 Temperature: 1.300000 Total energy: -922.331250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.331250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.331250 (E_RNA) where: Base-Base interactions energy: -528.480 where: short stacking energy: -269.292 Base-Backbone interact. energy: 3.237 local terms energy: -397.088080 where: bonds (distance) C4'-P energy: -102.719 bonds (distance) P-C4' energy: -107.392 flat angles C4'-P-C4' energy: -110.898 flat angles P-C4'-P energy: -57.541 tors. eta vs tors. theta energy: -18.538 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: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -594.588830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.588830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.588830 (E_RNA) where: Base-Base interactions energy: -250.774 where: short stacking energy: -173.100 Base-Backbone interact. energy: -1.619 local terms energy: -342.195838 where: bonds (distance) C4'-P energy: -105.855 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -91.641 flat angles P-C4'-P energy: -40.532 tors. eta vs tors. theta energy: 19.822 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: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2200.166490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.166490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.166490 (E_RNA) where: Base-Base interactions energy: -1500.280 where: short stacking energy: -659.982 Base-Backbone interact. energy: -1.492 local terms energy: -698.394529 where: bonds (distance) C4'-P energy: -141.412 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -138.841 flat angles P-C4'-P energy: -90.133 tors. eta vs tors. theta energy: -180.324 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: 2, replica: 10 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2121.822293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.822293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.822293 (E_RNA) where: Base-Base interactions energy: -1467.363 where: short stacking energy: -622.744 Base-Backbone interact. energy: -2.851 local terms energy: -651.608289 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -143.987 flat angles C4'-P-C4' energy: -136.930 flat angles P-C4'-P energy: -88.247 tors. eta vs tors. theta energy: -150.637 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: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1989.861521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.861521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.861521 (E_RNA) where: Base-Base interactions energy: -1367.865 where: short stacking energy: -590.099 Base-Backbone interact. energy: -3.882 local terms energy: -618.114239 where: bonds (distance) C4'-P energy: -120.293 bonds (distance) P-C4' energy: -141.300 flat angles C4'-P-C4' energy: -135.314 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -150.819 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: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1946.609412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.609412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.609412 (E_RNA) where: Base-Base interactions energy: -1340.200 where: short stacking energy: -561.493 Base-Backbone interact. energy: -2.624 local terms energy: -603.784797 where: bonds (distance) C4'-P energy: -114.683 bonds (distance) P-C4' energy: -110.602 flat angles C4'-P-C4' energy: -146.778 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -151.762 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: 4 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1720.269543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.269543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.269543 (E_RNA) where: Base-Base interactions energy: -1171.826 where: short stacking energy: -519.436 Base-Backbone interact. energy: -3.381 local terms energy: -545.063123 where: bonds (distance) C4'-P energy: -118.319 bonds (distance) P-C4' energy: -110.481 flat angles C4'-P-C4' energy: -130.994 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: -116.338 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: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1510.998473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.998473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.998473 (E_RNA) where: Base-Base interactions energy: -977.678 where: short stacking energy: -463.605 Base-Backbone interact. energy: -4.163 local terms energy: -529.157529 where: bonds (distance) C4'-P energy: -103.896 bonds (distance) P-C4' energy: -123.178 flat angles C4'-P-C4' energy: -119.614 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -115.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1491.139582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.139582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.139582 (E_RNA) where: Base-Base interactions energy: -1006.138 where: short stacking energy: -438.940 Base-Backbone interact. energy: -1.464 local terms energy: -483.537507 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -95.641 flat angles C4'-P-C4' energy: -111.497 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: -91.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1232.747836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.747836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.747836 (E_RNA) where: Base-Base interactions energy: -764.149 where: short stacking energy: -355.708 Base-Backbone interact. energy: 5.606 local terms energy: -474.204968 where: bonds (distance) C4'-P energy: -100.173 bonds (distance) P-C4' energy: -110.758 flat angles C4'-P-C4' energy: -123.123 flat angles P-C4'-P energy: -79.588 tors. eta vs tors. theta energy: -60.562 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: 61 Temperature: 1.300000 Total energy: -987.459230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.459230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.459230 (E_RNA) where: Base-Base interactions energy: -572.602 where: short stacking energy: -299.315 Base-Backbone interact. energy: 0.595 local terms energy: -415.451533 where: bonds (distance) C4'-P energy: -89.027 bonds (distance) P-C4' energy: -124.829 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -60.176 tors. eta vs tors. theta energy: -35.375 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: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -557.132222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.132222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.132222 (E_RNA) where: Base-Base interactions energy: -228.684 where: short stacking energy: -191.282 Base-Backbone interact. energy: 0.317 local terms energy: -328.765910 where: bonds (distance) C4'-P energy: -114.499 bonds (distance) P-C4' energy: -104.163 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: 5.713 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: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2229.399314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.399314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.399314 (E_RNA) where: Base-Base interactions energy: -1561.445 where: short stacking energy: -647.472 Base-Backbone interact. energy: -1.719 local terms energy: -666.235640 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -137.227 flat angles P-C4'-P energy: -102.747 tors. eta vs tors. theta energy: -179.597 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: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2121.304366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.304366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.304366 (E_RNA) where: Base-Base interactions energy: -1459.635 where: short stacking energy: -621.009 Base-Backbone interact. energy: -3.141 local terms energy: -658.527575 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -127.996 flat angles C4'-P-C4' energy: -135.675 flat angles P-C4'-P energy: -104.149 tors. eta vs tors. theta energy: -158.695 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: 3 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1991.602676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.602676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.602676 (E_RNA) where: Base-Base interactions energy: -1387.052 where: short stacking energy: -581.008 Base-Backbone interact. energy: -6.830 local terms energy: -597.720447 where: bonds (distance) C4'-P energy: -106.375 bonds (distance) P-C4' energy: -126.043 flat angles C4'-P-C4' energy: -129.699 flat angles P-C4'-P energy: -84.898 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: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1918.117405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.117405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.117405 (E_RNA) where: Base-Base interactions energy: -1293.074 where: short stacking energy: -558.672 Base-Backbone interact. energy: -3.431 local terms energy: -621.612988 where: bonds (distance) C4'-P energy: -105.096 bonds (distance) P-C4' energy: -134.481 flat angles C4'-P-C4' energy: -152.771 flat angles P-C4'-P energy: -78.693 tors. eta vs tors. theta energy: -150.571 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: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1626.549575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.549575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.549575 (E_RNA) where: Base-Base interactions energy: -1057.540 where: short stacking energy: -471.702 Base-Backbone interact. energy: -3.976 local terms energy: -565.033846 where: bonds (distance) C4'-P energy: -113.991 bonds (distance) P-C4' energy: -114.154 flat angles C4'-P-C4' energy: -126.262 flat angles P-C4'-P energy: -91.407 tors. eta vs tors. theta energy: -119.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1619.907498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.907498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.907498 (E_RNA) where: Base-Base interactions energy: -1084.379 where: short stacking energy: -471.668 Base-Backbone interact. energy: -4.213 local terms energy: -531.315198 where: bonds (distance) C4'-P energy: -102.316 bonds (distance) P-C4' energy: -100.300 flat angles C4'-P-C4' energy: -133.427 flat angles P-C4'-P energy: -78.059 tors. eta vs tors. theta energy: -117.212 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: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1447.208903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.208903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.208903 (E_RNA) where: Base-Base interactions energy: -934.356 where: short stacking energy: -398.442 Base-Backbone interact. energy: -1.620 local terms energy: -511.233246 where: bonds (distance) C4'-P energy: -97.923 bonds (distance) P-C4' energy: -115.391 flat angles C4'-P-C4' energy: -126.748 flat angles P-C4'-P energy: -82.359 tors. eta vs tors. theta energy: -88.812 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: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1248.202804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.202804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.202804 (E_RNA) where: Base-Base interactions energy: -806.950 where: short stacking energy: -361.922 Base-Backbone interact. energy: -1.541 local terms energy: -439.711515 where: bonds (distance) C4'-P energy: -94.530 bonds (distance) P-C4' energy: -118.075 flat angles C4'-P-C4' energy: -104.714 flat angles P-C4'-P energy: -58.527 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: 62 Temperature: 1.300000 Total energy: -1005.518184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.518184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.518184 (E_RNA) where: Base-Base interactions energy: -613.542 where: short stacking energy: -289.396 Base-Backbone interact. energy: -0.214 local terms energy: -391.762158 where: bonds (distance) C4'-P energy: -115.683 bonds (distance) P-C4' energy: -102.398 flat angles C4'-P-C4' energy: -105.259 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -16.714 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: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -571.252412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.252412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.252412 (E_RNA) where: Base-Base interactions energy: -241.661 where: short stacking energy: -181.077 Base-Backbone interact. energy: 1.782 local terms energy: -331.373405 where: bonds (distance) C4'-P energy: -89.367 bonds (distance) P-C4' energy: -118.362 flat angles C4'-P-C4' energy: -99.520 flat angles P-C4'-P energy: -35.664 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: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2233.611895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.611895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.611895 (E_RNA) where: Base-Base interactions energy: -1548.746 where: short stacking energy: -675.708 Base-Backbone interact. energy: -0.895 local terms energy: -683.971071 where: bonds (distance) C4'-P energy: -132.827 bonds (distance) P-C4' energy: -140.271 flat angles C4'-P-C4' energy: -133.780 flat angles P-C4'-P energy: -95.173 tors. eta vs tors. theta energy: -181.921 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: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2105.231345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.231345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.231345 (E_RNA) where: Base-Base interactions energy: -1474.023 where: short stacking energy: -615.043 Base-Backbone interact. energy: -5.687 local terms energy: -625.521495 where: bonds (distance) C4'-P energy: -115.525 bonds (distance) P-C4' energy: -133.398 flat angles C4'-P-C4' energy: -138.907 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -153.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2015.108444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.108444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.108444 (E_RNA) where: Base-Base interactions energy: -1363.233 where: short stacking energy: -585.898 Base-Backbone interact. energy: -2.077 local terms energy: -649.799107 where: bonds (distance) C4'-P energy: -130.565 bonds (distance) P-C4' energy: -139.010 flat angles C4'-P-C4' energy: -141.051 flat angles P-C4'-P energy: -80.251 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: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1891.556096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.556096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.556096 (E_RNA) where: Base-Base interactions energy: -1279.785 where: short stacking energy: -568.374 Base-Backbone interact. energy: 0.105 local terms energy: -611.875312 where: bonds (distance) C4'-P energy: -118.762 bonds (distance) P-C4' energy: -130.884 flat angles C4'-P-C4' energy: -134.745 flat angles P-C4'-P energy: -85.947 tors. eta vs tors. theta energy: -141.537 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: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1634.055335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.055335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.055335 (E_RNA) where: Base-Base interactions energy: -1096.085 where: short stacking energy: -483.591 Base-Backbone interact. energy: 1.119 local terms energy: -539.090036 where: bonds (distance) C4'-P energy: -107.444 bonds (distance) P-C4' energy: -120.865 flat angles C4'-P-C4' energy: -120.404 flat angles P-C4'-P energy: -77.470 tors. eta vs tors. theta energy: -112.907 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1626.892829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.892829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.892829 (E_RNA) where: Base-Base interactions energy: -1102.445 where: short stacking energy: -482.947 Base-Backbone interact. energy: -1.633 local terms energy: -522.813954 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -121.967 flat angles C4'-P-C4' energy: -121.046 flat angles P-C4'-P energy: -69.626 tors. eta vs tors. theta energy: -97.828 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: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1461.344146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.344146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.344146 (E_RNA) where: Base-Base interactions energy: -971.459 where: short stacking energy: -423.492 Base-Backbone interact. energy: -0.372 local terms energy: -489.513410 where: bonds (distance) C4'-P energy: -116.251 bonds (distance) P-C4' energy: -107.630 flat angles C4'-P-C4' energy: -112.148 flat angles P-C4'-P energy: -72.089 tors. eta vs tors. theta energy: -81.395 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: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1198.854611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.854611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.854611 (E_RNA) where: Base-Base interactions energy: -765.521 where: short stacking energy: -358.656 Base-Backbone interact. energy: 1.427 local terms energy: -434.760643 where: bonds (distance) C4'-P energy: -114.373 bonds (distance) P-C4' energy: -114.268 flat angles C4'-P-C4' energy: -87.774 flat angles P-C4'-P energy: -57.240 tors. eta vs tors. theta energy: -61.107 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: 63 Temperature: 1.300000 Total energy: -1099.572434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.572434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.572434 (E_RNA) where: Base-Base interactions energy: -666.238 where: short stacking energy: -313.670 Base-Backbone interact. energy: 2.080 local terms energy: -435.415004 where: bonds (distance) C4'-P energy: -106.898 bonds (distance) P-C4' energy: -113.018 flat angles C4'-P-C4' energy: -112.666 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -34.601 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: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -547.600100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.600100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.600100 (E_RNA) where: Base-Base interactions energy: -206.972 where: short stacking energy: -150.660 Base-Backbone interact. energy: 2.394 local terms energy: -343.021691 where: bonds (distance) C4'-P energy: -113.788 bonds (distance) P-C4' energy: -102.822 flat angles C4'-P-C4' energy: -97.558 flat angles P-C4'-P energy: -55.633 tors. eta vs tors. theta energy: 26.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2249.737925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.737925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.737925 (E_RNA) where: Base-Base interactions energy: -1564.899 where: short stacking energy: -651.341 Base-Backbone interact. energy: -1.557 local terms energy: -683.282127 where: bonds (distance) C4'-P energy: -126.875 bonds (distance) P-C4' energy: -126.683 flat angles C4'-P-C4' energy: -146.162 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -189.269 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: 64 Temperature: 0.950000 Total energy: -2124.946202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.946202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.946202 (E_RNA) where: Base-Base interactions energy: -1485.347 where: short stacking energy: -619.055 Base-Backbone interact. energy: -0.445 local terms energy: -639.153460 where: bonds (distance) C4'-P energy: -108.357 bonds (distance) P-C4' energy: -136.108 flat angles C4'-P-C4' energy: -142.034 flat angles P-C4'-P energy: -95.523 tors. eta vs tors. theta energy: -157.131 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: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1988.127988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.127988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.127988 (E_RNA) where: Base-Base interactions energy: -1357.898 where: short stacking energy: -607.191 Base-Backbone interact. energy: -2.460 local terms energy: -627.769859 where: bonds (distance) C4'-P energy: -103.196 bonds (distance) P-C4' energy: -127.072 flat angles C4'-P-C4' energy: -145.211 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -170.958 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: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1865.731118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.731118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.731118 (E_RNA) where: Base-Base interactions energy: -1260.161 where: short stacking energy: -538.442 Base-Backbone interact. energy: 0.327 local terms energy: -605.897524 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -124.232 flat angles C4'-P-C4' energy: -135.512 flat angles P-C4'-P energy: -78.559 tors. eta vs tors. theta energy: -147.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1719.306704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.306704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.306704 (E_RNA) where: Base-Base interactions energy: -1175.747 where: short stacking energy: -479.802 Base-Backbone interact. energy: -2.467 local terms energy: -541.093188 where: bonds (distance) C4'-P energy: -112.592 bonds (distance) P-C4' energy: -127.961 flat angles C4'-P-C4' energy: -115.490 flat angles P-C4'-P energy: -70.982 tors. eta vs tors. theta energy: -114.069 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: 64 Temperature: 1.150000 Total energy: -1609.394960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.394960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.394960 (E_RNA) where: Base-Base interactions energy: -1064.243 where: short stacking energy: -476.089 Base-Backbone interact. energy: -1.589 local terms energy: -543.562651 where: bonds (distance) C4'-P energy: -118.014 bonds (distance) P-C4' energy: -115.177 flat angles C4'-P-C4' energy: -133.730 flat angles P-C4'-P energy: -69.948 tors. eta vs tors. theta energy: -106.693 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: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1517.312551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.312551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.312551 (E_RNA) where: Base-Base interactions energy: -1002.815 where: short stacking energy: -451.315 Base-Backbone interact. energy: 0.499 local terms energy: -514.996392 where: bonds (distance) C4'-P energy: -117.545 bonds (distance) P-C4' energy: -107.418 flat angles C4'-P-C4' energy: -122.233 flat angles P-C4'-P energy: -72.656 tors. eta vs tors. theta energy: -95.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1182.297993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.297993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.297993 (E_RNA) where: Base-Base interactions energy: -757.442 where: short stacking energy: -349.964 Base-Backbone interact. energy: -1.504 local terms energy: -423.351749 where: bonds (distance) C4'-P energy: -102.885 bonds (distance) P-C4' energy: -119.491 flat angles C4'-P-C4' energy: -98.858 flat angles P-C4'-P energy: -68.886 tors. eta vs tors. theta energy: -33.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1062.468127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.468127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.468127 (E_RNA) where: Base-Base interactions energy: -682.321 where: short stacking energy: -278.924 Base-Backbone interact. energy: 4.368 local terms energy: -384.514710 where: bonds (distance) C4'-P energy: -89.838 bonds (distance) P-C4' energy: -107.363 flat angles C4'-P-C4' energy: -101.075 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -36.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -523.926272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.926272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.926272 (E_RNA) where: Base-Base interactions energy: -214.586 where: short stacking energy: -176.453 Base-Backbone interact. energy: 4.846 local terms energy: -314.186480 where: bonds (distance) C4'-P energy: -92.731 bonds (distance) P-C4' energy: -106.450 flat angles C4'-P-C4' energy: -86.726 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: 14.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2251.927327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.927327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.927327 (E_RNA) where: Base-Base interactions energy: -1566.150 where: short stacking energy: -661.360 Base-Backbone interact. energy: -2.504 local terms energy: -683.272902 where: bonds (distance) C4'-P energy: -140.134 bonds (distance) P-C4' energy: -129.731 flat angles C4'-P-C4' energy: -152.812 flat angles P-C4'-P energy: -84.148 tors. eta vs tors. theta energy: -176.447 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: 2, replica: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2167.064387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.064387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.064387 (E_RNA) where: Base-Base interactions energy: -1518.836 where: short stacking energy: -644.936 Base-Backbone interact. energy: -2.135 local terms energy: -646.094155 where: bonds (distance) C4'-P energy: -130.666 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -136.026 flat angles P-C4'-P energy: -83.528 tors. eta vs tors. theta energy: -160.109 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: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2002.985814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.985814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.985814 (E_RNA) where: Base-Base interactions energy: -1363.808 where: short stacking energy: -601.697 Base-Backbone interact. energy: -5.347 local terms energy: -633.830425 where: bonds (distance) C4'-P energy: -120.622 bonds (distance) P-C4' energy: -116.842 flat angles C4'-P-C4' energy: -139.458 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: -172.892 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: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1890.151459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.151459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.151459 (E_RNA) where: Base-Base interactions energy: -1281.024 where: short stacking energy: -547.212 Base-Backbone interact. energy: -3.475 local terms energy: -605.652628 where: bonds (distance) C4'-P energy: -125.359 bonds (distance) P-C4' energy: -114.287 flat angles C4'-P-C4' energy: -143.124 flat angles P-C4'-P energy: -82.654 tors. eta vs tors. theta energy: -140.229 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: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1719.464570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.464570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.464570 (E_RNA) where: Base-Base interactions energy: -1162.351 where: short stacking energy: -507.566 Base-Backbone interact. energy: -1.314 local terms energy: -555.799835 where: bonds (distance) C4'-P energy: -109.217 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -119.128 flat angles P-C4'-P energy: -68.753 tors. eta vs tors. theta energy: -128.314 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: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1668.178066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.178066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.178066 (E_RNA) where: Base-Base interactions energy: -1130.761 where: short stacking energy: -506.119 Base-Backbone interact. energy: -3.467 local terms energy: -533.949953 where: bonds (distance) C4'-P energy: -109.752 bonds (distance) P-C4' energy: -131.038 flat angles C4'-P-C4' energy: -105.003 flat angles P-C4'-P energy: -64.938 tors. eta vs tors. theta energy: -123.219 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: 1 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1442.918864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.918864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.918864 (E_RNA) where: Base-Base interactions energy: -937.413 where: short stacking energy: -412.442 Base-Backbone interact. energy: -2.751 local terms energy: -502.754670 where: bonds (distance) C4'-P energy: -99.401 bonds (distance) P-C4' energy: -116.068 flat angles C4'-P-C4' energy: -131.976 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: -92.563 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: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1195.286811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.286811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.286811 (E_RNA) where: Base-Base interactions energy: -757.463 where: short stacking energy: -343.904 Base-Backbone interact. energy: 1.004 local terms energy: -438.827935 where: bonds (distance) C4'-P energy: -93.759 bonds (distance) P-C4' energy: -113.685 flat angles C4'-P-C4' energy: -112.776 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -61.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1053.986039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.986039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.986039 (E_RNA) where: Base-Base interactions energy: -648.929 where: short stacking energy: -310.531 Base-Backbone interact. energy: -2.760 local terms energy: -402.297086 where: bonds (distance) C4'-P energy: -109.355 bonds (distance) P-C4' energy: -116.256 flat angles C4'-P-C4' energy: -93.639 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -29.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -526.741187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.741187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.741187 (E_RNA) where: Base-Base interactions energy: -211.679 where: short stacking energy: -143.152 Base-Backbone interact. energy: 0.164 local terms energy: -315.226459 where: bonds (distance) C4'-P energy: -98.267 bonds (distance) P-C4' energy: -106.970 flat angles C4'-P-C4' energy: -79.212 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: 34.636 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: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2269.449892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.449892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.449892 (E_RNA) where: Base-Base interactions energy: -1577.120 where: short stacking energy: -659.705 Base-Backbone interact. energy: -1.219 local terms energy: -691.111140 where: bonds (distance) C4'-P energy: -132.468 bonds (distance) P-C4' energy: -141.609 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -180.608 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: 66 Temperature: 0.950000 Total energy: -2103.626520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.626520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.626520 (E_RNA) where: Base-Base interactions energy: -1458.582 where: short stacking energy: -626.893 Base-Backbone interact. energy: -2.978 local terms energy: -642.066684 where: bonds (distance) C4'-P energy: -122.100 bonds (distance) P-C4' energy: -121.977 flat angles C4'-P-C4' energy: -147.180 flat angles P-C4'-P energy: -92.065 tors. eta vs tors. theta energy: -158.744 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: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2036.757082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.757082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.757082 (E_RNA) where: Base-Base interactions energy: -1395.334 where: short stacking energy: -613.534 Base-Backbone interact. energy: 3.991 local terms energy: -645.413982 where: bonds (distance) C4'-P energy: -128.228 bonds (distance) P-C4' energy: -125.626 flat angles C4'-P-C4' energy: -142.597 flat angles P-C4'-P energy: -97.165 tors. eta vs tors. theta energy: -151.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1888.328803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.328803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.328803 (E_RNA) where: Base-Base interactions energy: -1286.100 where: short stacking energy: -560.408 Base-Backbone interact. energy: -2.548 local terms energy: -599.681038 where: bonds (distance) C4'-P energy: -106.533 bonds (distance) P-C4' energy: -132.787 flat angles C4'-P-C4' energy: -139.670 flat angles P-C4'-P energy: -85.074 tors. eta vs tors. theta energy: -135.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1770.740476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.740476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.740476 (E_RNA) where: Base-Base interactions energy: -1210.138 where: short stacking energy: -524.680 Base-Backbone interact. energy: 0.363 local terms energy: -560.965585 where: bonds (distance) C4'-P energy: -99.962 bonds (distance) P-C4' energy: -121.250 flat angles C4'-P-C4' energy: -127.643 flat angles P-C4'-P energy: -76.801 tors. eta vs tors. theta energy: -135.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1616.703072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.703072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.703072 (E_RNA) where: Base-Base interactions energy: -1087.918 where: short stacking energy: -486.650 Base-Backbone interact. energy: 0.116 local terms energy: -528.900871 where: bonds (distance) C4'-P energy: -109.973 bonds (distance) P-C4' energy: -113.728 flat angles C4'-P-C4' energy: -127.480 flat angles P-C4'-P energy: -78.401 tors. eta vs tors. theta energy: -99.319 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: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1434.358794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.358794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.358794 (E_RNA) where: Base-Base interactions energy: -940.604 where: short stacking energy: -421.532 Base-Backbone interact. energy: -6.104 local terms energy: -487.650795 where: bonds (distance) C4'-P energy: -96.279 bonds (distance) P-C4' energy: -110.197 flat angles C4'-P-C4' energy: -105.395 flat angles P-C4'-P energy: -82.471 tors. eta vs tors. theta energy: -93.309 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: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1160.092417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.092417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.092417 (E_RNA) where: Base-Base interactions energy: -719.777 where: short stacking energy: -340.160 Base-Backbone interact. energy: -2.045 local terms energy: -438.270276 where: bonds (distance) C4'-P energy: -111.085 bonds (distance) P-C4' energy: -113.830 flat angles C4'-P-C4' energy: -110.494 flat angles P-C4'-P energy: -53.535 tors. eta vs tors. theta energy: -49.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1121.818391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.818391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.818391 (E_RNA) where: Base-Base interactions energy: -705.846 where: short stacking energy: -337.527 Base-Backbone interact. energy: -0.008 local terms energy: -415.965095 where: bonds (distance) C4'-P energy: -104.261 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -97.893 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -50.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -622.957131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.957131 (E_RNA) where: Base-Base interactions energy: -307.619 where: short stacking energy: -193.440 Base-Backbone interact. energy: -1.676 local terms energy: -313.662143 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -91.504 flat angles C4'-P-C4' energy: -88.559 flat angles P-C4'-P energy: -51.157 tors. eta vs tors. theta energy: 7.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2256.908293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.908293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.908293 (E_RNA) where: Base-Base interactions energy: -1551.885 where: short stacking energy: -666.422 Base-Backbone interact. energy: -3.831 local terms energy: -701.192853 where: bonds (distance) C4'-P energy: -129.830 bonds (distance) P-C4' energy: -144.157 flat angles C4'-P-C4' energy: -148.334 flat angles P-C4'-P energy: -95.657 tors. eta vs tors. theta energy: -183.215 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: 67 Temperature: 0.950000 Total energy: -2132.272565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.272565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.272565 (E_RNA) where: Base-Base interactions energy: -1495.664 where: short stacking energy: -610.716 Base-Backbone interact. energy: -2.135 local terms energy: -634.473030 where: bonds (distance) C4'-P energy: -120.480 bonds (distance) P-C4' energy: -126.406 flat angles C4'-P-C4' energy: -140.732 flat angles P-C4'-P energy: -95.205 tors. eta vs tors. theta energy: -151.650 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: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2074.678056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.678056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.678056 (E_RNA) where: Base-Base interactions energy: -1413.908 where: short stacking energy: -616.519 Base-Backbone interact. energy: -2.850 local terms energy: -657.920967 where: bonds (distance) C4'-P energy: -122.454 bonds (distance) P-C4' energy: -132.103 flat angles C4'-P-C4' energy: -138.238 flat angles P-C4'-P energy: -98.740 tors. eta vs tors. theta energy: -166.386 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: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1889.114197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.114197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.114197 (E_RNA) where: Base-Base interactions energy: -1322.664 where: short stacking energy: -559.232 Base-Backbone interact. energy: -0.028 local terms energy: -566.421957 where: bonds (distance) C4'-P energy: -102.496 bonds (distance) P-C4' energy: -122.076 flat angles C4'-P-C4' energy: -132.787 flat angles P-C4'-P energy: -63.823 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1750.053697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.053697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.053697 (E_RNA) where: Base-Base interactions energy: -1195.264 where: short stacking energy: -513.454 Base-Backbone interact. energy: -4.079 local terms energy: -550.710039 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -115.115 flat angles C4'-P-C4' energy: -123.559 flat angles P-C4'-P energy: -95.344 tors. eta vs tors. theta energy: -106.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1613.516359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.516359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.516359 (E_RNA) where: Base-Base interactions energy: -1087.038 where: short stacking energy: -462.069 Base-Backbone interact. energy: -2.430 local terms energy: -524.048018 where: bonds (distance) C4'-P energy: -95.233 bonds (distance) P-C4' energy: -124.870 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -103.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1472.355237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.355237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.355237 (E_RNA) where: Base-Base interactions energy: -962.756 where: short stacking energy: -449.521 Base-Backbone interact. energy: -0.660 local terms energy: -508.939249 where: bonds (distance) C4'-P energy: -105.522 bonds (distance) P-C4' energy: -117.631 flat angles C4'-P-C4' energy: -124.710 flat angles P-C4'-P energy: -45.354 tors. eta vs tors. theta energy: -115.721 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: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1124.811453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.811453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.811453 (E_RNA) where: Base-Base interactions energy: -698.806 where: short stacking energy: -314.680 Base-Backbone interact. energy: 3.024 local terms energy: -429.028997 where: bonds (distance) C4'-P energy: -103.310 bonds (distance) P-C4' energy: -109.354 flat angles C4'-P-C4' energy: -120.533 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -44.980 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: 67 Temperature: 1.300000 Total energy: -1206.193833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.193833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.193833 (E_RNA) where: Base-Base interactions energy: -767.908 where: short stacking energy: -359.847 Base-Backbone interact. energy: -1.527 local terms energy: -436.759141 where: bonds (distance) C4'-P energy: -101.319 bonds (distance) P-C4' energy: -95.870 flat angles C4'-P-C4' energy: -109.100 flat angles P-C4'-P energy: -71.518 tors. eta vs tors. theta energy: -58.952 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: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -617.096920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.096920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.096920 (E_RNA) where: Base-Base interactions energy: -253.728 where: short stacking energy: -176.021 Base-Backbone interact. energy: 0.048 local terms energy: -363.417171 where: bonds (distance) C4'-P energy: -104.342 bonds (distance) P-C4' energy: -117.250 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -56.754 tors. eta vs tors. theta energy: 13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2237.726228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.726228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.726228 (E_RNA) where: Base-Base interactions energy: -1558.130 where: short stacking energy: -632.545 Base-Backbone interact. energy: -3.678 local terms energy: -675.918620 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -140.693 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -88.866 tors. eta vs tors. theta energy: -179.214 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: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2101.196825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.196825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.196825 (E_RNA) where: Base-Base interactions energy: -1476.315 where: short stacking energy: -623.021 Base-Backbone interact. energy: 0.151 local terms energy: -625.033451 where: bonds (distance) C4'-P energy: -115.085 bonds (distance) P-C4' energy: -125.520 flat angles C4'-P-C4' energy: -133.631 flat angles P-C4'-P energy: -83.288 tors. eta vs tors. theta energy: -167.509 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: 68 Temperature: 1.000000 Total energy: -2100.168354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.168354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.168354 (E_RNA) where: Base-Base interactions energy: -1467.006 where: short stacking energy: -644.134 Base-Backbone interact. energy: -3.458 local terms energy: -629.704375 where: bonds (distance) C4'-P energy: -120.465 bonds (distance) P-C4' energy: -122.104 flat angles C4'-P-C4' energy: -134.212 flat angles P-C4'-P energy: -91.260 tors. eta vs tors. theta energy: -161.662 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: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1942.614712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.614712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.614712 (E_RNA) where: Base-Base interactions energy: -1335.070 where: short stacking energy: -571.648 Base-Backbone interact. energy: 2.165 local terms energy: -609.710497 where: bonds (distance) C4'-P energy: -114.053 bonds (distance) P-C4' energy: -128.405 flat angles C4'-P-C4' energy: -130.064 flat angles P-C4'-P energy: -83.558 tors. eta vs tors. theta energy: -153.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1748.774133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.774133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.774133 (E_RNA) where: Base-Base interactions energy: -1214.902 where: short stacking energy: -495.179 Base-Backbone interact. energy: -3.186 local terms energy: -530.686382 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -113.705 flat angles C4'-P-C4' energy: -124.852 flat angles P-C4'-P energy: -87.086 tors. eta vs tors. theta energy: -108.607 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: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1634.622936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.622936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.622936 (E_RNA) where: Base-Base interactions energy: -1127.772 where: short stacking energy: -491.253 Base-Backbone interact. energy: 1.125 local terms energy: -507.975420 where: bonds (distance) C4'-P energy: -109.255 bonds (distance) P-C4' energy: -102.096 flat angles C4'-P-C4' energy: -124.087 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -109.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1454.315408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.315408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.315408 (E_RNA) where: Base-Base interactions energy: -950.132 where: short stacking energy: -383.786 Base-Backbone interact. energy: 2.940 local terms energy: -507.123288 where: bonds (distance) C4'-P energy: -105.650 bonds (distance) P-C4' energy: -121.416 flat angles C4'-P-C4' energy: -134.016 flat angles P-C4'-P energy: -60.609 tors. eta vs tors. theta energy: -85.432 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: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1183.158624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.158624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.158624 (E_RNA) where: Base-Base interactions energy: -746.020 where: short stacking energy: -379.208 Base-Backbone interact. energy: -1.343 local terms energy: -435.795570 where: bonds (distance) C4'-P energy: -98.587 bonds (distance) P-C4' energy: -94.262 flat angles C4'-P-C4' energy: -104.631 flat angles P-C4'-P energy: -78.305 tors. eta vs tors. theta energy: -60.011 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: 68 Temperature: 1.300000 Total energy: -1212.472764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.472764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.472764 (E_RNA) where: Base-Base interactions energy: -771.529 where: short stacking energy: -359.272 Base-Backbone interact. energy: -0.110 local terms energy: -440.832908 where: bonds (distance) C4'-P energy: -101.370 bonds (distance) P-C4' energy: -108.860 flat angles C4'-P-C4' energy: -108.511 flat angles P-C4'-P energy: -62.550 tors. eta vs tors. theta energy: -59.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -596.420009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.420009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.420009 (E_RNA) where: Base-Base interactions energy: -277.955 where: short stacking energy: -165.635 Base-Backbone interact. energy: -0.858 local terms energy: -317.606542 where: bonds (distance) C4'-P energy: -92.635 bonds (distance) P-C4' energy: -93.357 flat angles C4'-P-C4' energy: -88.826 flat angles P-C4'-P energy: -59.670 tors. eta vs tors. theta energy: 16.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2269.743776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.743776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.743776 (E_RNA) where: Base-Base interactions energy: -1581.335 where: short stacking energy: -661.881 Base-Backbone interact. energy: -3.709 local terms energy: -684.699634 where: bonds (distance) C4'-P energy: -115.093 bonds (distance) P-C4' energy: -132.809 flat angles C4'-P-C4' energy: -154.755 flat angles P-C4'-P energy: -98.449 tors. eta vs tors. theta energy: -183.594 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: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2113.847653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.847653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.847653 (E_RNA) where: Base-Base interactions energy: -1488.988 where: short stacking energy: -624.979 Base-Backbone interact. energy: -0.634 local terms energy: -624.224941 where: bonds (distance) C4'-P energy: -127.101 bonds (distance) P-C4' energy: -130.123 flat angles C4'-P-C4' energy: -125.982 flat angles P-C4'-P energy: -85.383 tors. eta vs tors. theta energy: -155.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2093.373500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.373500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.373500 (E_RNA) where: Base-Base interactions energy: -1470.030 where: short stacking energy: -625.558 Base-Backbone interact. energy: -4.022 local terms energy: -619.322119 where: bonds (distance) C4'-P energy: -122.785 bonds (distance) P-C4' energy: -115.166 flat angles C4'-P-C4' energy: -136.094 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -165.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1944.706486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.706486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.706486 (E_RNA) where: Base-Base interactions energy: -1334.553 where: short stacking energy: -599.605 Base-Backbone interact. energy: -1.924 local terms energy: -608.230064 where: bonds (distance) C4'-P energy: -104.347 bonds (distance) P-C4' energy: -119.622 flat angles C4'-P-C4' energy: -134.638 flat angles P-C4'-P energy: -87.077 tors. eta vs tors. theta energy: -162.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1750.763435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.763435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.763435 (E_RNA) where: Base-Base interactions energy: -1199.393 where: short stacking energy: -504.375 Base-Backbone interact. energy: -2.761 local terms energy: -548.609783 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -123.127 flat angles C4'-P-C4' energy: -135.866 flat angles P-C4'-P energy: -75.299 tors. eta vs tors. theta energy: -114.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1672.868959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.868959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.868959 (E_RNA) where: Base-Base interactions energy: -1150.785 where: short stacking energy: -501.412 Base-Backbone interact. energy: -1.031 local terms energy: -521.052656 where: bonds (distance) C4'-P energy: -107.052 bonds (distance) P-C4' energy: -89.946 flat angles C4'-P-C4' energy: -118.072 flat angles P-C4'-P energy: -85.527 tors. eta vs tors. theta energy: -120.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1400.367076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.367076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.367076 (E_RNA) where: Base-Base interactions energy: -883.760 where: short stacking energy: -405.259 Base-Backbone interact. energy: -2.208 local terms energy: -514.398523 where: bonds (distance) C4'-P energy: -105.140 bonds (distance) P-C4' energy: -110.369 flat angles C4'-P-C4' energy: -125.401 flat angles P-C4'-P energy: -79.416 tors. eta vs tors. theta energy: -94.072 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: 8, replica: 6 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1301.291397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.291397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.291397 (E_RNA) where: Base-Base interactions energy: -813.759 where: short stacking energy: -375.185 Base-Backbone interact. energy: -3.895 local terms energy: -483.637227 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -114.329 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -71.921 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: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1079.234675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.234675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.234675 (E_RNA) where: Base-Base interactions energy: -649.224 where: short stacking energy: -292.316 Base-Backbone interact. energy: -1.721 local terms energy: -428.289904 where: bonds (distance) C4'-P energy: -94.799 bonds (distance) P-C4' energy: -113.603 flat angles C4'-P-C4' energy: -111.656 flat angles P-C4'-P energy: -79.704 tors. eta vs tors. theta energy: -28.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -639.443059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.443059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.443059 (E_RNA) where: Base-Base interactions energy: -262.320 where: short stacking energy: -183.547 Base-Backbone interact. energy: 0.607 local terms energy: -377.730109 where: bonds (distance) C4'-P energy: -120.824 bonds (distance) P-C4' energy: -115.967 flat angles C4'-P-C4' energy: -86.018 flat angles P-C4'-P energy: -51.438 tors. eta vs tors. theta energy: -3.483 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: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2284.943798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.943798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.943798 (E_RNA) where: Base-Base interactions energy: -1589.051 where: short stacking energy: -664.145 Base-Backbone interact. energy: 2.775 local terms energy: -698.667821 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -143.995 flat angles C4'-P-C4' energy: -140.963 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -190.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2110.108824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.108824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.108824 (E_RNA) where: Base-Base interactions energy: -1472.148 where: short stacking energy: -631.959 Base-Backbone interact. energy: -3.562 local terms energy: -634.398204 where: bonds (distance) C4'-P energy: -117.278 bonds (distance) P-C4' energy: -127.217 flat angles C4'-P-C4' energy: -153.210 flat angles P-C4'-P energy: -82.796 tors. eta vs tors. theta energy: -153.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2094.979545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.979545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.979545 (E_RNA) where: Base-Base interactions energy: -1433.673 where: short stacking energy: -635.635 Base-Backbone interact. energy: -2.842 local terms energy: -658.464510 where: bonds (distance) C4'-P energy: -128.018 bonds (distance) P-C4' energy: -130.607 flat angles C4'-P-C4' energy: -140.288 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -178.548 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: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1956.479457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.479457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.479457 (E_RNA) where: Base-Base interactions energy: -1312.059 where: short stacking energy: -560.242 Base-Backbone interact. energy: -3.349 local terms energy: -641.071441 where: bonds (distance) C4'-P energy: -140.439 bonds (distance) P-C4' energy: -135.733 flat angles C4'-P-C4' energy: -125.992 flat angles P-C4'-P energy: -85.790 tors. eta vs tors. theta energy: -153.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1792.611410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.611410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.611410 (E_RNA) where: Base-Base interactions energy: -1223.222 where: short stacking energy: -527.805 Base-Backbone interact. energy: -1.665 local terms energy: -567.724286 where: bonds (distance) C4'-P energy: -124.845 bonds (distance) P-C4' energy: -110.548 flat angles C4'-P-C4' energy: -136.862 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -123.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1686.802858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.802858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.802858 (E_RNA) where: Base-Base interactions energy: -1152.364 where: short stacking energy: -480.059 Base-Backbone interact. energy: 0.201 local terms energy: -534.639627 where: bonds (distance) C4'-P energy: -100.397 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -117.248 flat angles P-C4'-P energy: -82.627 tors. eta vs tors. theta energy: -108.477 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: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1390.573237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.573237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.573237 (E_RNA) where: Base-Base interactions energy: -878.496 where: short stacking energy: -386.333 Base-Backbone interact. energy: -2.503 local terms energy: -509.574296 where: bonds (distance) C4'-P energy: -124.368 bonds (distance) P-C4' energy: -120.087 flat angles C4'-P-C4' energy: -121.768 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -78.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1302.681745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.681745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.681745 (E_RNA) where: Base-Base interactions energy: -837.021 where: short stacking energy: -388.707 Base-Backbone interact. energy: 2.973 local terms energy: -468.633021 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -111.295 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -66.885 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: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1106.308626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.308626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.308626 (E_RNA) where: Base-Base interactions energy: -694.476 where: short stacking energy: -315.591 Base-Backbone interact. energy: -0.293 local terms energy: -411.539047 where: bonds (distance) C4'-P energy: -102.251 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -115.254 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -47.038 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: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -661.965352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.965352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.965352 (E_RNA) where: Base-Base interactions energy: -321.996 where: short stacking energy: -202.239 Base-Backbone interact. energy: -1.923 local terms energy: -338.045724 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -104.932 flat angles C4'-P-C4' energy: -81.777 flat angles P-C4'-P energy: -54.628 tors. eta vs tors. theta energy: -6.348 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2262.799161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.799161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.799161 (E_RNA) where: Base-Base interactions energy: -1576.319 where: short stacking energy: -661.799 Base-Backbone interact. energy: -4.081 local terms energy: -682.399002 where: bonds (distance) C4'-P energy: -126.138 bonds (distance) P-C4' energy: -144.331 flat angles C4'-P-C4' energy: -135.294 flat angles P-C4'-P energy: -86.858 tors. eta vs tors. theta energy: -189.777 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2125.567431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.567431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.567431 (E_RNA) where: Base-Base interactions energy: -1477.828 where: short stacking energy: -645.607 Base-Backbone interact. energy: 0.826 local terms energy: -648.565496 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -147.943 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -163.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2123.006128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.006128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.006128 (E_RNA) where: Base-Base interactions energy: -1428.562 where: short stacking energy: -638.888 Base-Backbone interact. energy: -4.874 local terms energy: -689.570212 where: bonds (distance) C4'-P energy: -128.390 bonds (distance) P-C4' energy: -143.126 flat angles C4'-P-C4' energy: -144.591 flat angles P-C4'-P energy: -99.274 tors. eta vs tors. theta energy: -174.189 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: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1941.340815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.340815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.340815 (E_RNA) where: Base-Base interactions energy: -1326.574 where: short stacking energy: -587.761 Base-Backbone interact. energy: -1.437 local terms energy: -613.330123 where: bonds (distance) C4'-P energy: -131.675 bonds (distance) P-C4' energy: -117.481 flat angles C4'-P-C4' energy: -132.419 flat angles P-C4'-P energy: -72.979 tors. eta vs tors. theta energy: -158.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1757.762384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.762384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.762384 (E_RNA) where: Base-Base interactions energy: -1196.544 where: short stacking energy: -539.633 Base-Backbone interact. energy: 4.479 local terms energy: -565.696945 where: bonds (distance) C4'-P energy: -100.225 bonds (distance) P-C4' energy: -116.981 flat angles C4'-P-C4' energy: -141.311 flat angles P-C4'-P energy: -85.556 tors. eta vs tors. theta energy: -121.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1750.598271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.598271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.598271 (E_RNA) where: Base-Base interactions energy: -1177.462 where: short stacking energy: -533.303 Base-Backbone interact. energy: -3.236 local terms energy: -569.900121 where: bonds (distance) C4'-P energy: -120.380 bonds (distance) P-C4' energy: -120.892 flat angles C4'-P-C4' energy: -131.860 flat angles P-C4'-P energy: -64.916 tors. eta vs tors. theta energy: -131.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1439.893456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.893456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.893456 (E_RNA) where: Base-Base interactions energy: -943.696 where: short stacking energy: -439.674 Base-Backbone interact. energy: -3.301 local terms energy: -492.896119 where: bonds (distance) C4'-P energy: -103.808 bonds (distance) P-C4' energy: -117.929 flat angles C4'-P-C4' energy: -116.781 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: -100.954 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: 8, replica: 6 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1305.920083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.920083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.920083 (E_RNA) where: Base-Base interactions energy: -824.896 where: short stacking energy: -360.352 Base-Backbone interact. energy: -2.918 local terms energy: -478.106420 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -122.847 flat angles C4'-P-C4' energy: -113.821 flat angles P-C4'-P energy: -61.436 tors. eta vs tors. theta energy: -70.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1150.143563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.143563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.143563 (E_RNA) where: Base-Base interactions energy: -722.219 where: short stacking energy: -362.274 Base-Backbone interact. energy: -1.388 local terms energy: -426.536067 where: bonds (distance) C4'-P energy: -84.605 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -96.209 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -57.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -678.875995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.875995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.875995 (E_RNA) where: Base-Base interactions energy: -333.236 where: short stacking energy: -210.865 Base-Backbone interact. energy: -1.055 local terms energy: -344.585347 where: bonds (distance) C4'-P energy: -86.043 bonds (distance) P-C4' energy: -107.377 flat angles C4'-P-C4' energy: -88.435 flat angles P-C4'-P energy: -66.264 tors. eta vs tors. theta energy: 3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2269.532935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.532935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.532935 (E_RNA) where: Base-Base interactions energy: -1606.331 where: short stacking energy: -661.278 Base-Backbone interact. energy: -5.649 local terms energy: -657.553201 where: bonds (distance) C4'-P energy: -112.389 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -141.545 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -186.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2136.535722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.535722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.535722 (E_RNA) where: Base-Base interactions energy: -1492.879 where: short stacking energy: -646.434 Base-Backbone interact. energy: 0.142 local terms energy: -643.798688 where: bonds (distance) C4'-P energy: -124.734 bonds (distance) P-C4' energy: -126.673 flat angles C4'-P-C4' energy: -130.663 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -167.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2166.679218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.679218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.679218 (E_RNA) where: Base-Base interactions energy: -1480.220 where: short stacking energy: -647.336 Base-Backbone interact. energy: -3.983 local terms energy: -682.475309 where: bonds (distance) C4'-P energy: -126.852 bonds (distance) P-C4' energy: -124.616 flat angles C4'-P-C4' energy: -153.230 flat angles P-C4'-P energy: -98.054 tors. eta vs tors. theta energy: -179.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1893.283853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.283853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.283853 (E_RNA) where: Base-Base interactions energy: -1243.859 where: short stacking energy: -566.568 Base-Backbone interact. energy: 1.806 local terms energy: -651.231364 where: bonds (distance) C4'-P energy: -130.305 bonds (distance) P-C4' energy: -133.180 flat angles C4'-P-C4' energy: -147.302 flat angles P-C4'-P energy: -88.978 tors. eta vs tors. theta energy: -151.467 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: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1844.879634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.879634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.879634 (E_RNA) where: Base-Base interactions energy: -1269.320 where: short stacking energy: -554.499 Base-Backbone interact. energy: -0.659 local terms energy: -574.901025 where: bonds (distance) C4'-P energy: -97.462 bonds (distance) P-C4' energy: -113.268 flat angles C4'-P-C4' energy: -133.197 flat angles P-C4'-P energy: -88.312 tors. eta vs tors. theta energy: -142.661 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: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1711.329658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.329658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.329658 (E_RNA) where: Base-Base interactions energy: -1145.673 where: short stacking energy: -498.097 Base-Backbone interact. energy: 10.446 local terms energy: -576.102532 where: bonds (distance) C4'-P energy: -97.363 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -135.569 flat angles P-C4'-P energy: -87.315 tors. eta vs tors. theta energy: -115.004 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: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1467.332435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.332435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.332435 (E_RNA) where: Base-Base interactions energy: -930.716 where: short stacking energy: -402.112 Base-Backbone interact. energy: -2.130 local terms energy: -534.486944 where: bonds (distance) C4'-P energy: -113.309 bonds (distance) P-C4' energy: -129.801 flat angles C4'-P-C4' energy: -116.927 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -103.441 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: 8, replica: 6 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1284.257724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.257724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.257724 (E_RNA) where: Base-Base interactions energy: -830.300 where: short stacking energy: -376.522 Base-Backbone interact. energy: -0.340 local terms energy: -453.617486 where: bonds (distance) C4'-P energy: -97.850 bonds (distance) P-C4' energy: -99.369 flat angles C4'-P-C4' energy: -124.479 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -64.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1098.399525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.399525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.399525 (E_RNA) where: Base-Base interactions energy: -684.072 where: short stacking energy: -317.177 Base-Backbone interact. energy: 3.290 local terms energy: -417.617464 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -104.885 flat angles C4'-P-C4' energy: -97.638 flat angles P-C4'-P energy: -64.703 tors. eta vs tors. theta energy: -35.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -694.900037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.900037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.900037 (E_RNA) where: Base-Base interactions energy: -367.864 where: short stacking energy: -182.057 Base-Backbone interact. energy: 5.941 local terms energy: -332.976916 where: bonds (distance) C4'-P energy: -99.968 bonds (distance) P-C4' energy: -105.249 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -53.231 tors. eta vs tors. theta energy: 12.481 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: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2271.142324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.142324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.142324 (E_RNA) where: Base-Base interactions energy: -1561.430 where: short stacking energy: -636.806 Base-Backbone interact. energy: -5.746 local terms energy: -703.965746 where: bonds (distance) C4'-P energy: -135.570 bonds (distance) P-C4' energy: -138.008 flat angles C4'-P-C4' energy: -150.160 flat angles P-C4'-P energy: -86.599 tors. eta vs tors. theta energy: -193.629 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: 2, replica: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2213.913405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.913405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.913405 (E_RNA) where: Base-Base interactions energy: -1547.515 where: short stacking energy: -682.821 Base-Backbone interact. energy: -3.948 local terms energy: -662.450393 where: bonds (distance) C4'-P energy: -124.261 bonds (distance) P-C4' energy: -128.780 flat angles C4'-P-C4' energy: -149.844 flat angles P-C4'-P energy: -83.213 tors. eta vs tors. theta energy: -176.352 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: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2111.380745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.380745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.380745 (E_RNA) where: Base-Base interactions energy: -1477.435 where: short stacking energy: -606.498 Base-Backbone interact. energy: 2.119 local terms energy: -636.064337 where: bonds (distance) C4'-P energy: -123.583 bonds (distance) P-C4' energy: -119.719 flat angles C4'-P-C4' energy: -135.241 flat angles P-C4'-P energy: -92.147 tors. eta vs tors. theta energy: -165.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1933.380110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.380110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.380110 (E_RNA) where: Base-Base interactions energy: -1297.242 where: short stacking energy: -593.395 Base-Backbone interact. energy: 1.962 local terms energy: -638.100332 where: bonds (distance) C4'-P energy: -112.092 bonds (distance) P-C4' energy: -133.680 flat angles C4'-P-C4' energy: -153.719 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -159.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1832.801376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.801376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.801376 (E_RNA) where: Base-Base interactions energy: -1261.388 where: short stacking energy: -556.947 Base-Backbone interact. energy: -0.883 local terms energy: -570.531278 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -122.192 flat angles C4'-P-C4' energy: -126.948 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -140.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1685.538213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.538213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.538213 (E_RNA) where: Base-Base interactions energy: -1174.517 where: short stacking energy: -491.723 Base-Backbone interact. energy: -2.947 local terms energy: -508.074084 where: bonds (distance) C4'-P energy: -87.087 bonds (distance) P-C4' energy: -107.217 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -78.022 tors. eta vs tors. theta energy: -113.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1523.916520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.916520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.916520 (E_RNA) where: Base-Base interactions energy: -1000.077 where: short stacking energy: -447.399 Base-Backbone interact. energy: 2.212 local terms energy: -526.051407 where: bonds (distance) C4'-P energy: -124.162 bonds (distance) P-C4' energy: -99.898 flat angles C4'-P-C4' energy: -116.214 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -117.725 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: 73 Temperature: 1.250000 Total energy: -1295.139097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.139097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.139097 (E_RNA) where: Base-Base interactions energy: -832.079 where: short stacking energy: -368.048 Base-Backbone interact. energy: -3.889 local terms energy: -459.170908 where: bonds (distance) C4'-P energy: -103.674 bonds (distance) P-C4' energy: -108.782 flat angles C4'-P-C4' energy: -114.607 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -65.510 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1071.336455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.336455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.336455 (E_RNA) where: Base-Base interactions energy: -648.488 where: short stacking energy: -317.218 Base-Backbone interact. energy: -1.303 local terms energy: -421.545080 where: bonds (distance) C4'-P energy: -97.977 bonds (distance) P-C4' energy: -119.895 flat angles C4'-P-C4' energy: -109.622 flat angles P-C4'-P energy: -59.426 tors. eta vs tors. theta energy: -34.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -741.058544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.058544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.058544 (E_RNA) where: Base-Base interactions energy: -383.083 where: short stacking energy: -221.940 Base-Backbone interact. energy: 4.287 local terms energy: -362.262597 where: bonds (distance) C4'-P energy: -107.637 bonds (distance) P-C4' energy: -113.662 flat angles C4'-P-C4' energy: -100.955 flat angles P-C4'-P energy: -39.832 tors. eta vs tors. theta energy: -0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2276.494503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.494503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.494503 (E_RNA) where: Base-Base interactions energy: -1586.464 where: short stacking energy: -650.776 Base-Backbone interact. energy: -1.189 local terms energy: -688.841376 where: bonds (distance) C4'-P energy: -132.136 bonds (distance) P-C4' energy: -139.829 flat angles C4'-P-C4' energy: -149.158 flat angles P-C4'-P energy: -93.819 tors. eta vs tors. theta energy: -173.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2227.477815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.477815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.477815 (E_RNA) where: Base-Base interactions energy: -1540.878 where: short stacking energy: -665.895 Base-Backbone interact. energy: -6.152 local terms energy: -680.447633 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -141.311 flat angles C4'-P-C4' energy: -144.124 flat angles P-C4'-P energy: -90.015 tors. eta vs tors. theta energy: -184.878 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: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2049.922521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.922521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.922521 (E_RNA) where: Base-Base interactions energy: -1430.293 where: short stacking energy: -605.868 Base-Backbone interact. energy: -0.661 local terms energy: -618.968271 where: bonds (distance) C4'-P energy: -129.479 bonds (distance) P-C4' energy: -122.681 flat angles C4'-P-C4' energy: -130.855 flat angles P-C4'-P energy: -82.095 tors. eta vs tors. theta energy: -153.859 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: 4, replica: 8 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1913.129983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.129983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.129983 (E_RNA) where: Base-Base interactions energy: -1300.688 where: short stacking energy: -589.282 Base-Backbone interact. energy: -2.077 local terms energy: -610.364572 where: bonds (distance) C4'-P energy: -115.269 bonds (distance) P-C4' energy: -120.691 flat angles C4'-P-C4' energy: -130.858 flat angles P-C4'-P energy: -84.678 tors. eta vs tors. theta energy: -158.869 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: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1834.359045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.359045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.359045 (E_RNA) where: Base-Base interactions energy: -1231.477 where: short stacking energy: -565.943 Base-Backbone interact. energy: -1.060 local terms energy: -601.822263 where: bonds (distance) C4'-P energy: -116.622 bonds (distance) P-C4' energy: -131.273 flat angles C4'-P-C4' energy: -131.546 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -148.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1694.635183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.635183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.635183 (E_RNA) where: Base-Base interactions energy: -1167.685 where: short stacking energy: -516.583 Base-Backbone interact. energy: -0.353 local terms energy: -526.597677 where: bonds (distance) C4'-P energy: -102.997 bonds (distance) P-C4' energy: -112.581 flat angles C4'-P-C4' energy: -108.818 flat angles P-C4'-P energy: -76.536 tors. eta vs tors. theta energy: -125.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1579.791018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.791018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.791018 (E_RNA) where: Base-Base interactions energy: -1020.255 where: short stacking energy: -439.144 Base-Backbone interact. energy: 3.866 local terms energy: -563.401864 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -137.575 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -108.364 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: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1231.948921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.948921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.948921 (E_RNA) where: Base-Base interactions energy: -765.401 where: short stacking energy: -364.124 Base-Backbone interact. energy: 0.365 local terms energy: -466.912593 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -117.357 flat angles C4'-P-C4' energy: -100.549 flat angles P-C4'-P energy: -73.523 tors. eta vs tors. theta energy: -64.195 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: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1009.638631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.638631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.638631 (E_RNA) where: Base-Base interactions energy: -623.042 where: short stacking energy: -316.978 Base-Backbone interact. energy: 3.723 local terms energy: -390.319974 where: bonds (distance) C4'-P energy: -100.693 bonds (distance) P-C4' energy: -101.617 flat angles C4'-P-C4' energy: -96.936 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -27.872 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: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -723.153987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.153987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.153987 (E_RNA) where: Base-Base interactions energy: -382.130 where: short stacking energy: -219.534 Base-Backbone interact. energy: 12.616 local terms energy: -353.640377 where: bonds (distance) C4'-P energy: -105.419 bonds (distance) P-C4' energy: -117.068 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -61.368 tors. eta vs tors. theta energy: 2.449 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: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2282.152295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.152295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.152295 (E_RNA) where: Base-Base interactions energy: -1578.375 where: short stacking energy: -628.854 Base-Backbone interact. energy: -4.066 local terms energy: -699.711414 where: bonds (distance) C4'-P energy: -128.057 bonds (distance) P-C4' energy: -135.289 flat angles C4'-P-C4' energy: -147.949 flat angles P-C4'-P energy: -108.408 tors. eta vs tors. theta energy: -180.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2204.679810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.679810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.679810 (E_RNA) where: Base-Base interactions energy: -1550.841 where: short stacking energy: -665.259 Base-Backbone interact. energy: -5.854 local terms energy: -647.984879 where: bonds (distance) C4'-P energy: -118.056 bonds (distance) P-C4' energy: -120.390 flat angles C4'-P-C4' energy: -145.196 flat angles P-C4'-P energy: -89.509 tors. eta vs tors. theta energy: -174.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2024.696805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.696805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.696805 (E_RNA) where: Base-Base interactions energy: -1421.271 where: short stacking energy: -599.123 Base-Backbone interact. energy: -1.549 local terms energy: -601.877047 where: bonds (distance) C4'-P energy: -112.152 bonds (distance) P-C4' energy: -127.631 flat angles C4'-P-C4' energy: -133.470 flat angles P-C4'-P energy: -91.454 tors. eta vs tors. theta energy: -137.170 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: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1912.120331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.120331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.120331 (E_RNA) where: Base-Base interactions energy: -1316.955 where: short stacking energy: -547.102 Base-Backbone interact. energy: -2.214 local terms energy: -592.951159 where: bonds (distance) C4'-P energy: -114.394 bonds (distance) P-C4' energy: -130.303 flat angles C4'-P-C4' energy: -127.636 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -150.841 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: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1831.666281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.666281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.666281 (E_RNA) where: Base-Base interactions energy: -1220.548 where: short stacking energy: -538.717 Base-Backbone interact. energy: 2.068 local terms energy: -613.185898 where: bonds (distance) C4'-P energy: -124.369 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -136.983 flat angles P-C4'-P energy: -91.849 tors. eta vs tors. theta energy: -148.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1744.398795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.398795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.398795 (E_RNA) where: Base-Base interactions energy: -1195.391 where: short stacking energy: -511.133 Base-Backbone interact. energy: -1.052 local terms energy: -547.955097 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -107.610 flat angles C4'-P-C4' energy: -129.038 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -116.971 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: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1591.273955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.273955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.273955 (E_RNA) where: Base-Base interactions energy: -1070.705 where: short stacking energy: -456.119 Base-Backbone interact. energy: -0.415 local terms energy: -520.154380 where: bonds (distance) C4'-P energy: -119.248 bonds (distance) P-C4' energy: -112.358 flat angles C4'-P-C4' energy: -104.017 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -107.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1256.601805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.601805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.601805 (E_RNA) where: Base-Base interactions energy: -841.880 where: short stacking energy: -374.340 Base-Backbone interact. energy: 1.169 local terms energy: -415.890502 where: bonds (distance) C4'-P energy: -101.369 bonds (distance) P-C4' energy: -103.715 flat angles C4'-P-C4' energy: -96.266 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -65.444 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: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1055.142346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.142346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.142346 (E_RNA) where: Base-Base interactions energy: -622.509 where: short stacking energy: -289.303 Base-Backbone interact. energy: -0.328 local terms energy: -432.304899 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -104.004 flat angles C4'-P-C4' energy: -107.551 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -48.975 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: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -684.972169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.972169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.972169 (E_RNA) where: Base-Base interactions energy: -349.825 where: short stacking energy: -210.007 Base-Backbone interact. energy: 1.501 local terms energy: -336.648012 where: bonds (distance) C4'-P energy: -100.996 bonds (distance) P-C4' energy: -102.617 flat angles C4'-P-C4' energy: -88.214 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: 11.251 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: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2277.695884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.695884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.695884 (E_RNA) where: Base-Base interactions energy: -1575.824 where: short stacking energy: -663.709 Base-Backbone interact. energy: -2.668 local terms energy: -699.204002 where: bonds (distance) C4'-P energy: -123.843 bonds (distance) P-C4' energy: -141.015 flat angles C4'-P-C4' energy: -147.134 flat angles P-C4'-P energy: -106.129 tors. eta vs tors. theta energy: -181.082 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: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2199.438110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.438110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.438110 (E_RNA) where: Base-Base interactions energy: -1511.451 where: short stacking energy: -633.809 Base-Backbone interact. energy: -1.413 local terms energy: -686.573743 where: bonds (distance) C4'-P energy: -134.354 bonds (distance) P-C4' energy: -121.613 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -108.731 tors. eta vs tors. theta energy: -173.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1997.839818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.839818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.839818 (E_RNA) where: Base-Base interactions energy: -1399.910 where: short stacking energy: -558.271 Base-Backbone interact. energy: -1.618 local terms energy: -596.311394 where: bonds (distance) C4'-P energy: -99.340 bonds (distance) P-C4' energy: -130.493 flat angles C4'-P-C4' energy: -138.358 flat angles P-C4'-P energy: -95.775 tors. eta vs tors. theta energy: -132.346 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: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1954.621662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.621662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.621662 (E_RNA) where: Base-Base interactions energy: -1324.956 where: short stacking energy: -549.083 Base-Backbone interact. energy: 3.422 local terms energy: -633.087285 where: bonds (distance) C4'-P energy: -130.138 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -133.589 flat angles P-C4'-P energy: -90.443 tors. eta vs tors. theta energy: -150.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1840.587539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.587539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.587539 (E_RNA) where: Base-Base interactions energy: -1249.327 where: short stacking energy: -528.072 Base-Backbone interact. energy: 0.263 local terms energy: -591.522801 where: bonds (distance) C4'-P energy: -117.666 bonds (distance) P-C4' energy: -127.914 flat angles C4'-P-C4' energy: -136.077 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -126.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1757.843614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.843614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.843614 (E_RNA) where: Base-Base interactions energy: -1180.863 where: short stacking energy: -549.086 Base-Backbone interact. energy: -2.505 local terms energy: -574.476080 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -121.637 flat angles C4'-P-C4' energy: -132.868 flat angles P-C4'-P energy: -75.293 tors. eta vs tors. theta energy: -130.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1520.854374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.854374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.854374 (E_RNA) where: Base-Base interactions energy: -998.782 where: short stacking energy: -446.928 Base-Backbone interact. energy: -0.722 local terms energy: -521.351078 where: bonds (distance) C4'-P energy: -109.892 bonds (distance) P-C4' energy: -122.636 flat angles C4'-P-C4' energy: -108.491 flat angles P-C4'-P energy: -80.447 tors. eta vs tors. theta energy: -99.885 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: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1310.284569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.284569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.284569 (E_RNA) where: Base-Base interactions energy: -877.816 where: short stacking energy: -399.440 Base-Backbone interact. energy: -4.231 local terms energy: -428.237208 where: bonds (distance) C4'-P energy: -106.153 bonds (distance) P-C4' energy: -101.870 flat angles C4'-P-C4' energy: -78.746 flat angles P-C4'-P energy: -70.916 tors. eta vs tors. theta energy: -70.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1127.322541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.322541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.322541 (E_RNA) where: Base-Base interactions energy: -714.398 where: short stacking energy: -302.715 Base-Backbone interact. energy: -0.206 local terms energy: -412.718453 where: bonds (distance) C4'-P energy: -109.540 bonds (distance) P-C4' energy: -107.120 flat angles C4'-P-C4' energy: -91.373 flat angles P-C4'-P energy: -57.188 tors. eta vs tors. theta energy: -47.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -593.913089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.913089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.913089 (E_RNA) where: Base-Base interactions energy: -256.133 where: short stacking energy: -179.166 Base-Backbone interact. energy: 0.272 local terms energy: -338.052307 where: bonds (distance) C4'-P energy: -110.357 bonds (distance) P-C4' energy: -110.320 flat angles C4'-P-C4' energy: -83.663 flat angles P-C4'-P energy: -56.748 tors. eta vs tors. theta energy: 23.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2279.730259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.730259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.730259 (E_RNA) where: Base-Base interactions energy: -1597.886 where: short stacking energy: -655.941 Base-Backbone interact. energy: -1.661 local terms energy: -680.183905 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -142.431 flat angles C4'-P-C4' energy: -145.685 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -173.221 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: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2207.933955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.933955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.933955 (E_RNA) where: Base-Base interactions energy: -1548.249 where: short stacking energy: -634.891 Base-Backbone interact. energy: 0.008 local terms energy: -659.693180 where: bonds (distance) C4'-P energy: -127.892 bonds (distance) P-C4' energy: -125.254 flat angles C4'-P-C4' energy: -139.199 flat angles P-C4'-P energy: -92.135 tors. eta vs tors. theta energy: -175.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2026.032813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.032813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.032813 (E_RNA) where: Base-Base interactions energy: -1418.832 where: short stacking energy: -571.853 Base-Backbone interact. energy: -6.342 local terms energy: -600.858512 where: bonds (distance) C4'-P energy: -127.521 bonds (distance) P-C4' energy: -127.148 flat angles C4'-P-C4' energy: -138.487 flat angles P-C4'-P energy: -79.239 tors. eta vs tors. theta energy: -128.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1929.201323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.201323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.201323 (E_RNA) where: Base-Base interactions energy: -1323.947 where: short stacking energy: -586.618 Base-Backbone interact. energy: -1.372 local terms energy: -603.882343 where: bonds (distance) C4'-P energy: -120.906 bonds (distance) P-C4' energy: -116.135 flat angles C4'-P-C4' energy: -123.251 flat angles P-C4'-P energy: -96.185 tors. eta vs tors. theta energy: -147.405 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: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1811.432135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.432135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.432135 (E_RNA) where: Base-Base interactions energy: -1236.675 where: short stacking energy: -554.881 Base-Backbone interact. energy: -2.722 local terms energy: -572.035278 where: bonds (distance) C4'-P energy: -101.683 bonds (distance) P-C4' energy: -122.248 flat angles C4'-P-C4' energy: -133.098 flat angles P-C4'-P energy: -80.569 tors. eta vs tors. theta energy: -134.437 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: 77 Temperature: 1.150000 Total energy: -1740.805780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.805780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.805780 (E_RNA) where: Base-Base interactions energy: -1153.938 where: short stacking energy: -518.093 Base-Backbone interact. energy: -2.686 local terms energy: -584.181129 where: bonds (distance) C4'-P energy: -106.045 bonds (distance) P-C4' energy: -117.832 flat angles C4'-P-C4' energy: -128.423 flat angles P-C4'-P energy: -97.067 tors. eta vs tors. theta energy: -134.814 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: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1553.817572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.817572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.817572 (E_RNA) where: Base-Base interactions energy: -1029.944 where: short stacking energy: -458.253 Base-Backbone interact. energy: -2.225 local terms energy: -521.648174 where: bonds (distance) C4'-P energy: -99.400 bonds (distance) P-C4' energy: -112.189 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -107.565 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: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1304.927239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.927239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.927239 (E_RNA) where: Base-Base interactions energy: -835.458 where: short stacking energy: -382.230 Base-Backbone interact. energy: -1.506 local terms energy: -467.962883 where: bonds (distance) C4'-P energy: -104.362 bonds (distance) P-C4' energy: -114.705 flat angles C4'-P-C4' energy: -104.764 flat angles P-C4'-P energy: -67.127 tors. eta vs tors. theta energy: -77.005 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: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1097.436394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.436394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.436394 (E_RNA) where: Base-Base interactions energy: -676.272 where: short stacking energy: -342.005 Base-Backbone interact. energy: -1.464 local terms energy: -419.699845 where: bonds (distance) C4'-P energy: -110.327 bonds (distance) P-C4' energy: -117.000 flat angles C4'-P-C4' energy: -111.959 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: -32.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -570.277616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.277616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.277616 (E_RNA) where: Base-Base interactions energy: -243.257 where: short stacking energy: -148.906 Base-Backbone interact. energy: -0.505 local terms energy: -326.515504 where: bonds (distance) C4'-P energy: -103.511 bonds (distance) P-C4' energy: -114.898 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -47.700 tors. eta vs tors. theta energy: 9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2286.674657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.674657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.674657 (E_RNA) where: Base-Base interactions energy: -1592.330 where: short stacking energy: -656.643 Base-Backbone interact. energy: -3.713 local terms energy: -690.631652 where: bonds (distance) C4'-P energy: -125.472 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -141.463 flat angles P-C4'-P energy: -106.548 tors. eta vs tors. theta energy: -178.373 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: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2199.285565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.285565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.285565 (E_RNA) where: Base-Base interactions energy: -1522.071 where: short stacking energy: -643.498 Base-Backbone interact. energy: -4.082 local terms energy: -673.132759 where: bonds (distance) C4'-P energy: -131.013 bonds (distance) P-C4' energy: -125.815 flat angles C4'-P-C4' energy: -149.973 flat angles P-C4'-P energy: -91.060 tors. eta vs tors. theta energy: -175.271 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: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1999.734820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.734820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.734820 (E_RNA) where: Base-Base interactions energy: -1412.522 where: short stacking energy: -585.238 Base-Backbone interact. energy: -2.703 local terms energy: -584.509747 where: bonds (distance) C4'-P energy: -130.820 bonds (distance) P-C4' energy: -121.002 flat angles C4'-P-C4' energy: -121.903 flat angles P-C4'-P energy: -74.106 tors. eta vs tors. theta energy: -136.679 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: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1950.705347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.705347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.705347 (E_RNA) where: Base-Base interactions energy: -1344.054 where: short stacking energy: -604.223 Base-Backbone interact. energy: 1.589 local terms energy: -608.239992 where: bonds (distance) C4'-P energy: -114.039 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -148.731 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -149.521 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: 4 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1825.639657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.639657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.639657 (E_RNA) where: Base-Base interactions energy: -1254.405 where: short stacking energy: -509.364 Base-Backbone interact. energy: -0.325 local terms energy: -570.909924 where: bonds (distance) C4'-P energy: -113.849 bonds (distance) P-C4' energy: -118.496 flat angles C4'-P-C4' energy: -133.141 flat angles P-C4'-P energy: -80.999 tors. eta vs tors. theta energy: -124.425 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: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1738.817641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.817641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.817641 (E_RNA) where: Base-Base interactions energy: -1170.335 where: short stacking energy: -514.461 Base-Backbone interact. energy: -2.605 local terms energy: -565.878480 where: bonds (distance) C4'-P energy: -104.983 bonds (distance) P-C4' energy: -115.110 flat angles C4'-P-C4' energy: -126.282 flat angles P-C4'-P energy: -81.869 tors. eta vs tors. theta energy: -137.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1562.188453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.188453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.188453 (E_RNA) where: Base-Base interactions energy: -1048.933 where: short stacking energy: -434.994 Base-Backbone interact. energy: 3.338 local terms energy: -516.593805 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -123.234 flat angles C4'-P-C4' energy: -115.524 flat angles P-C4'-P energy: -64.646 tors. eta vs tors. theta energy: -116.756 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: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1317.297401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.297401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.297401 (E_RNA) where: Base-Base interactions energy: -830.655 where: short stacking energy: -388.417 Base-Backbone interact. energy: 0.164 local terms energy: -486.806304 where: bonds (distance) C4'-P energy: -100.097 bonds (distance) P-C4' energy: -98.871 flat angles C4'-P-C4' energy: -134.490 flat angles P-C4'-P energy: -80.445 tors. eta vs tors. theta energy: -72.902 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: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1063.909674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.909674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.909674 (E_RNA) where: Base-Base interactions energy: -647.944 where: short stacking energy: -330.738 Base-Backbone interact. energy: 1.643 local terms energy: -417.609076 where: bonds (distance) C4'-P energy: -90.268 bonds (distance) P-C4' energy: -109.156 flat angles C4'-P-C4' energy: -113.929 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -56.382 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: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -593.432584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.432584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.432584 (E_RNA) where: Base-Base interactions energy: -265.710 where: short stacking energy: -172.118 Base-Backbone interact. energy: -0.498 local terms energy: -327.224112 where: bonds (distance) C4'-P energy: -94.288 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -100.613 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: 15.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2320.169610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.169610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.169610 (E_RNA) where: Base-Base interactions energy: -1640.246 where: short stacking energy: -673.754 Base-Backbone interact. energy: -4.008 local terms energy: -675.915112 where: bonds (distance) C4'-P energy: -128.069 bonds (distance) P-C4' energy: -116.661 flat angles C4'-P-C4' energy: -152.742 flat angles P-C4'-P energy: -92.520 tors. eta vs tors. theta energy: -185.923 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: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2269.273833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.273833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.273833 (E_RNA) where: Base-Base interactions energy: -1587.119 where: short stacking energy: -691.206 Base-Backbone interact. energy: -1.780 local terms energy: -680.375031 where: bonds (distance) C4'-P energy: -127.824 bonds (distance) P-C4' energy: -131.566 flat angles C4'-P-C4' energy: -141.797 flat angles P-C4'-P energy: -99.126 tors. eta vs tors. theta energy: -180.062 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: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2005.227495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.227495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.227495 (E_RNA) where: Base-Base interactions energy: -1380.799 where: short stacking energy: -573.593 Base-Backbone interact. energy: -6.184 local terms energy: -618.244220 where: bonds (distance) C4'-P energy: -114.023 bonds (distance) P-C4' energy: -126.956 flat angles C4'-P-C4' energy: -142.863 flat angles P-C4'-P energy: -89.477 tors. eta vs tors. theta energy: -144.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1970.148772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.148772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.148772 (E_RNA) where: Base-Base interactions energy: -1353.079 where: short stacking energy: -593.330 Base-Backbone interact. energy: -2.232 local terms energy: -614.837984 where: bonds (distance) C4'-P energy: -129.131 bonds (distance) P-C4' energy: -128.083 flat angles C4'-P-C4' energy: -124.594 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -153.054 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: 5, replica: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1837.870803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.870803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.870803 (E_RNA) where: Base-Base interactions energy: -1264.159 where: short stacking energy: -526.990 Base-Backbone interact. energy: -3.935 local terms energy: -569.776254 where: bonds (distance) C4'-P energy: -115.538 bonds (distance) P-C4' energy: -116.050 flat angles C4'-P-C4' energy: -121.236 flat angles P-C4'-P energy: -89.390 tors. eta vs tors. theta energy: -127.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1686.014599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.014599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.014599 (E_RNA) where: Base-Base interactions energy: -1124.359 where: short stacking energy: -497.446 Base-Backbone interact. energy: -0.682 local terms energy: -560.973728 where: bonds (distance) C4'-P energy: -115.320 bonds (distance) P-C4' energy: -127.710 flat angles C4'-P-C4' energy: -119.400 flat angles P-C4'-P energy: -70.964 tors. eta vs tors. theta energy: -127.580 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: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1524.496870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.496870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.496870 (E_RNA) where: Base-Base interactions energy: -1013.110 where: short stacking energy: -454.239 Base-Backbone interact. energy: -2.319 local terms energy: -509.067819 where: bonds (distance) C4'-P energy: -111.837 bonds (distance) P-C4' energy: -102.346 flat angles C4'-P-C4' energy: -111.488 flat angles P-C4'-P energy: -68.952 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: 8, replica: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1407.473085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.473085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.473085 (E_RNA) where: Base-Base interactions energy: -932.054 where: short stacking energy: -397.507 Base-Backbone interact. energy: -1.400 local terms energy: -474.019175 where: bonds (distance) C4'-P energy: -117.716 bonds (distance) P-C4' energy: -102.727 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -67.533 tors. eta vs tors. theta energy: -87.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1054.283292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.283292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.283292 (E_RNA) where: Base-Base interactions energy: -622.502 where: short stacking energy: -290.961 Base-Backbone interact. energy: 5.000 local terms energy: -436.781630 where: bonds (distance) C4'-P energy: -109.022 bonds (distance) P-C4' energy: -106.090 flat angles C4'-P-C4' energy: -105.941 flat angles P-C4'-P energy: -55.195 tors. eta vs tors. theta energy: -60.534 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: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -537.822409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.822409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.822409 (E_RNA) where: Base-Base interactions energy: -201.812 where: short stacking energy: -154.875 Base-Backbone interact. energy: 4.538 local terms energy: -340.548255 where: bonds (distance) C4'-P energy: -89.832 bonds (distance) P-C4' energy: -124.725 flat angles C4'-P-C4' energy: -89.414 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: 21.622 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: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2304.227206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.227206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.227206 (E_RNA) where: Base-Base interactions energy: -1606.906 where: short stacking energy: -695.851 Base-Backbone interact. energy: -2.284 local terms energy: -695.037323 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -136.282 flat angles C4'-P-C4' energy: -160.606 flat angles P-C4'-P energy: -87.852 tors. eta vs tors. theta energy: -186.269 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2221.553323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.553323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.553323 (E_RNA) where: Base-Base interactions energy: -1549.204 where: short stacking energy: -662.909 Base-Backbone interact. energy: -3.042 local terms energy: -669.307297 where: bonds (distance) C4'-P energy: -125.982 bonds (distance) P-C4' energy: -116.194 flat angles C4'-P-C4' energy: -153.101 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -175.176 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: 10 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1986.510606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.510606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.510606 (E_RNA) where: Base-Base interactions energy: -1363.917 where: short stacking energy: -555.471 Base-Backbone interact. energy: -5.534 local terms energy: -617.059973 where: bonds (distance) C4'-P energy: -130.838 bonds (distance) P-C4' energy: -126.106 flat angles C4'-P-C4' energy: -127.766 flat angles P-C4'-P energy: -86.467 tors. eta vs tors. theta energy: -145.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1966.530118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.530118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.530118 (E_RNA) where: Base-Base interactions energy: -1350.503 where: short stacking energy: -596.275 Base-Backbone interact. energy: -0.867 local terms energy: -615.160002 where: bonds (distance) C4'-P energy: -123.579 bonds (distance) P-C4' energy: -126.776 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -80.874 tors. eta vs tors. theta energy: -153.676 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: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1845.760689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.760689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.760689 (E_RNA) where: Base-Base interactions energy: -1245.154 where: short stacking energy: -525.051 Base-Backbone interact. energy: -2.879 local terms energy: -597.728401 where: bonds (distance) C4'-P energy: -122.895 bonds (distance) P-C4' energy: -139.265 flat angles C4'-P-C4' energy: -119.968 flat angles P-C4'-P energy: -81.591 tors. eta vs tors. theta energy: -134.011 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: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1595.385474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.385474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.385474 (E_RNA) where: Base-Base interactions energy: -1057.034 where: short stacking energy: -473.520 Base-Backbone interact. energy: 0.786 local terms energy: -539.136951 where: bonds (distance) C4'-P energy: -106.064 bonds (distance) P-C4' energy: -122.653 flat angles C4'-P-C4' energy: -130.208 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -105.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1516.119949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.119949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.119949 (E_RNA) where: Base-Base interactions energy: -1012.527 where: short stacking energy: -459.855 Base-Backbone interact. energy: 1.972 local terms energy: -505.565237 where: bonds (distance) C4'-P energy: -96.408 bonds (distance) P-C4' energy: -121.715 flat angles C4'-P-C4' energy: -117.610 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -93.370 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: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1375.495342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.495342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.495342 (E_RNA) where: Base-Base interactions energy: -909.665 where: short stacking energy: -397.945 Base-Backbone interact. energy: -2.221 local terms energy: -463.609240 where: bonds (distance) C4'-P energy: -128.524 bonds (distance) P-C4' energy: -105.729 flat angles C4'-P-C4' energy: -111.896 flat angles P-C4'-P energy: -48.480 tors. eta vs tors. theta energy: -68.980 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: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -943.022098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.022098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.022098 (E_RNA) where: Base-Base interactions energy: -560.765 where: short stacking energy: -270.822 Base-Backbone interact. energy: -0.427 local terms energy: -381.829811 where: bonds (distance) C4'-P energy: -101.988 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -97.008 flat angles P-C4'-P energy: -65.930 tors. eta vs tors. theta energy: -22.796 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: 7 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -541.422758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.422758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.422758 (E_RNA) where: Base-Base interactions energy: -203.535 where: short stacking energy: -163.703 Base-Backbone interact. energy: -2.755 local terms energy: -335.132673 where: bonds (distance) C4'-P energy: -117.047 bonds (distance) P-C4' energy: -94.113 flat angles C4'-P-C4' energy: -97.126 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: 22.561 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: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2303.801343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.801343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.801343 (E_RNA) where: Base-Base interactions energy: -1616.092 where: short stacking energy: -674.878 Base-Backbone interact. energy: 4.028 local terms energy: -691.738083 where: bonds (distance) C4'-P energy: -127.885 bonds (distance) P-C4' energy: -122.455 flat angles C4'-P-C4' energy: -157.610 flat angles P-C4'-P energy: -98.458 tors. eta vs tors. theta energy: -185.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2214.238900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.238900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.238900 (E_RNA) where: Base-Base interactions energy: -1547.411 where: short stacking energy: -663.800 Base-Backbone interact. energy: -3.465 local terms energy: -663.363581 where: bonds (distance) C4'-P energy: -119.262 bonds (distance) P-C4' energy: -126.803 flat angles C4'-P-C4' energy: -147.026 flat angles P-C4'-P energy: -92.211 tors. eta vs tors. theta energy: -178.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2041.971837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.971837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.971837 (E_RNA) where: Base-Base interactions energy: -1407.690 where: short stacking energy: -592.144 Base-Backbone interact. energy: -2.625 local terms energy: -631.656941 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -122.834 flat angles C4'-P-C4' energy: -141.706 flat angles P-C4'-P energy: -89.110 tors. eta vs tors. theta energy: -152.830 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: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1979.427312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.427312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.427312 (E_RNA) where: Base-Base interactions energy: -1340.034 where: short stacking energy: -570.649 Base-Backbone interact. energy: -2.448 local terms energy: -636.944680 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -129.504 flat angles C4'-P-C4' energy: -143.805 flat angles P-C4'-P energy: -79.748 tors. eta vs tors. theta energy: -161.398 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: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1865.464346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.464346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.464346 (E_RNA) where: Base-Base interactions energy: -1253.755 where: short stacking energy: -533.755 Base-Backbone interact. energy: -0.002 local terms energy: -611.707318 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -118.162 flat angles C4'-P-C4' energy: -142.028 flat angles P-C4'-P energy: -93.797 tors. eta vs tors. theta energy: -134.602 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: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1675.922605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.922605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.922605 (E_RNA) where: Base-Base interactions energy: -1124.985 where: short stacking energy: -509.572 Base-Backbone interact. energy: -1.798 local terms energy: -549.139904 where: bonds (distance) C4'-P energy: -129.269 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -62.230 tors. eta vs tors. theta energy: -124.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1520.923133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.923133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.923133 (E_RNA) where: Base-Base interactions energy: -1019.443 where: short stacking energy: -453.724 Base-Backbone interact. energy: -1.791 local terms energy: -499.689218 where: bonds (distance) C4'-P energy: -107.082 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -118.243 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -100.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1389.762053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.762053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.762053 (E_RNA) where: Base-Base interactions energy: -904.888 where: short stacking energy: -418.834 Base-Backbone interact. energy: -4.565 local terms energy: -480.309179 where: bonds (distance) C4'-P energy: -103.722 bonds (distance) P-C4' energy: -121.312 flat angles C4'-P-C4' energy: -110.970 flat angles P-C4'-P energy: -73.668 tors. eta vs tors. theta energy: -70.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -974.501640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.501640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.501640 (E_RNA) where: Base-Base interactions energy: -565.419 where: short stacking energy: -270.757 Base-Backbone interact. energy: -1.153 local terms energy: -407.929928 where: bonds (distance) C4'-P energy: -109.864 bonds (distance) P-C4' energy: -110.716 flat angles C4'-P-C4' energy: -102.507 flat angles P-C4'-P energy: -51.998 tors. eta vs tors. theta energy: -32.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -510.771979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.771979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.771979 (E_RNA) where: Base-Base interactions energy: -197.865 where: short stacking energy: -117.401 Base-Backbone interact. energy: 1.619 local terms energy: -314.525984 where: bonds (distance) C4'-P energy: -100.360 bonds (distance) P-C4' energy: -124.669 flat angles C4'-P-C4' energy: -81.573 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: 38.749 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: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2311.137628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.137628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.137628 (E_RNA) where: Base-Base interactions energy: -1608.093 where: short stacking energy: -677.046 Base-Backbone interact. energy: -2.874 local terms energy: -700.170537 where: bonds (distance) C4'-P energy: -131.250 bonds (distance) P-C4' energy: -128.485 flat angles C4'-P-C4' energy: -155.796 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -179.337 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: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2250.186809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.186809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.186809 (E_RNA) where: Base-Base interactions energy: -1555.094 where: short stacking energy: -654.463 Base-Backbone interact. energy: -1.842 local terms energy: -693.250829 where: bonds (distance) C4'-P energy: -135.760 bonds (distance) P-C4' energy: -135.780 flat angles C4'-P-C4' energy: -147.417 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -181.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1983.306261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.306261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.306261 (E_RNA) where: Base-Base interactions energy: -1359.685 where: short stacking energy: -564.455 Base-Backbone interact. energy: -2.898 local terms energy: -620.724238 where: bonds (distance) C4'-P energy: -116.886 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -143.534 flat angles P-C4'-P energy: -88.283 tors. eta vs tors. theta energy: -133.466 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: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1966.124605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.124605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.124605 (E_RNA) where: Base-Base interactions energy: -1366.056 where: short stacking energy: -598.169 Base-Backbone interact. energy: -2.000 local terms energy: -598.068045 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -127.894 flat angles C4'-P-C4' energy: -136.629 flat angles P-C4'-P energy: -75.200 tors. eta vs tors. theta energy: -144.272 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: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1875.242309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.242309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.242309 (E_RNA) where: Base-Base interactions energy: -1293.847 where: short stacking energy: -541.234 Base-Backbone interact. energy: -2.550 local terms energy: -578.845686 where: bonds (distance) C4'-P energy: -108.536 bonds (distance) P-C4' energy: -129.102 flat angles C4'-P-C4' energy: -130.634 flat angles P-C4'-P energy: -88.643 tors. eta vs tors. theta energy: -121.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1675.682775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.682775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.682775 (E_RNA) where: Base-Base interactions energy: -1125.703 where: short stacking energy: -491.728 Base-Backbone interact. energy: -4.010 local terms energy: -545.969799 where: bonds (distance) C4'-P energy: -113.652 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -123.311 flat angles P-C4'-P energy: -69.140 tors. eta vs tors. theta energy: -126.622 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: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1425.254376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.254376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.254376 (E_RNA) where: Base-Base interactions energy: -918.019 where: short stacking energy: -429.137 Base-Backbone interact. energy: 2.860 local terms energy: -510.095612 where: bonds (distance) C4'-P energy: -108.816 bonds (distance) P-C4' energy: -109.981 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -75.022 tors. eta vs tors. theta energy: -108.228 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: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1366.561560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.561560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.561560 (E_RNA) where: Base-Base interactions energy: -895.003 where: short stacking energy: -364.603 Base-Backbone interact. energy: -1.738 local terms energy: -469.820325 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -122.555 flat angles C4'-P-C4' energy: -108.655 flat angles P-C4'-P energy: -82.465 tors. eta vs tors. theta energy: -62.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1013.157712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.157712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.157712 (E_RNA) where: Base-Base interactions energy: -604.329 where: short stacking energy: -278.933 Base-Backbone interact. energy: 2.405 local terms energy: -411.234474 where: bonds (distance) C4'-P energy: -109.954 bonds (distance) P-C4' energy: -104.760 flat angles C4'-P-C4' energy: -101.115 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -28.632 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: 7 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -569.161173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.161173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.161173 (E_RNA) where: Base-Base interactions energy: -247.960 where: short stacking energy: -174.597 Base-Backbone interact. energy: 4.447 local terms energy: -325.648460 where: bonds (distance) C4'-P energy: -95.492 bonds (distance) P-C4' energy: -103.245 flat angles C4'-P-C4' energy: -99.137 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: 31.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2300.608186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.608186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.608186 (E_RNA) where: Base-Base interactions energy: -1612.360 where: short stacking energy: -686.787 Base-Backbone interact. energy: -3.484 local terms energy: -684.763718 where: bonds (distance) C4'-P energy: -115.399 bonds (distance) P-C4' energy: -144.595 flat angles C4'-P-C4' energy: -145.133 flat angles P-C4'-P energy: -83.232 tors. eta vs tors. theta energy: -196.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2215.662746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.662746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.662746 (E_RNA) where: Base-Base interactions energy: -1565.409 where: short stacking energy: -654.320 Base-Backbone interact. energy: 1.212 local terms energy: -651.464839 where: bonds (distance) C4'-P energy: -121.056 bonds (distance) P-C4' energy: -113.655 flat angles C4'-P-C4' energy: -149.205 flat angles P-C4'-P energy: -89.492 tors. eta vs tors. theta energy: -178.056 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: 3, replica: 10 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1960.837351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.837351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.837351 (E_RNA) where: Base-Base interactions energy: -1343.718 where: short stacking energy: -555.054 Base-Backbone interact. energy: -1.510 local terms energy: -615.609755 where: bonds (distance) C4'-P energy: -120.165 bonds (distance) P-C4' energy: -116.192 flat angles C4'-P-C4' energy: -147.372 flat angles P-C4'-P energy: -88.426 tors. eta vs tors. theta energy: -143.455 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: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1957.961203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.961203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.961203 (E_RNA) where: Base-Base interactions energy: -1344.614 where: short stacking energy: -580.997 Base-Backbone interact. energy: -5.250 local terms energy: -608.097548 where: bonds (distance) C4'-P energy: -116.887 bonds (distance) P-C4' energy: -109.297 flat angles C4'-P-C4' energy: -136.474 flat angles P-C4'-P energy: -88.327 tors. eta vs tors. theta energy: -157.112 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: 4 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1854.598634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.598634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.598634 (E_RNA) where: Base-Base interactions energy: -1279.198 where: short stacking energy: -525.557 Base-Backbone interact. energy: -5.264 local terms energy: -570.136853 where: bonds (distance) C4'-P energy: -119.392 bonds (distance) P-C4' energy: -106.267 flat angles C4'-P-C4' energy: -121.606 flat angles P-C4'-P energy: -93.385 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: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1678.556718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.556718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.556718 (E_RNA) where: Base-Base interactions energy: -1108.312 where: short stacking energy: -480.809 Base-Backbone interact. energy: -2.510 local terms energy: -567.733863 where: bonds (distance) C4'-P energy: -118.940 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -121.842 flat angles P-C4'-P energy: -78.684 tors. eta vs tors. theta energy: -130.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1457.448903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.448903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.448903 (E_RNA) where: Base-Base interactions energy: -949.026 where: short stacking energy: -410.115 Base-Backbone interact. energy: 4.074 local terms energy: -512.496975 where: bonds (distance) C4'-P energy: -107.858 bonds (distance) P-C4' energy: -107.784 flat angles C4'-P-C4' energy: -116.116 flat angles P-C4'-P energy: -68.665 tors. eta vs tors. theta energy: -112.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1427.045305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.045305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.045305 (E_RNA) where: Base-Base interactions energy: -926.926 where: short stacking energy: -415.770 Base-Backbone interact. energy: -1.449 local terms energy: -498.669803 where: bonds (distance) C4'-P energy: -106.839 bonds (distance) P-C4' energy: -126.311 flat angles C4'-P-C4' energy: -106.619 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -88.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1017.075182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.075182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.075182 (E_RNA) where: Base-Base interactions energy: -636.378 where: short stacking energy: -326.881 Base-Backbone interact. energy: -0.138 local terms energy: -380.559136 where: bonds (distance) C4'-P energy: -98.076 bonds (distance) P-C4' energy: -80.714 flat angles C4'-P-C4' energy: -118.443 flat angles P-C4'-P energy: -50.887 tors. eta vs tors. theta energy: -32.439 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: 7 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -533.627720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.627720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.627720 (E_RNA) where: Base-Base interactions energy: -209.764 where: short stacking energy: -152.762 Base-Backbone interact. energy: 1.951 local terms energy: -325.815189 where: bonds (distance) C4'-P energy: -108.560 bonds (distance) P-C4' energy: -111.017 flat angles C4'-P-C4' energy: -66.622 flat angles P-C4'-P energy: -59.589 tors. eta vs tors. theta energy: 19.973 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: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2298.153621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.153621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.153621 (E_RNA) where: Base-Base interactions energy: -1598.833 where: short stacking energy: -672.517 Base-Backbone interact. energy: -5.498 local terms energy: -693.822686 where: bonds (distance) C4'-P energy: -134.645 bonds (distance) P-C4' energy: -139.924 flat angles C4'-P-C4' energy: -144.234 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -188.707 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: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2217.565659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.565659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.565659 (E_RNA) where: Base-Base interactions energy: -1531.802 where: short stacking energy: -670.897 Base-Backbone interact. energy: -3.188 local terms energy: -682.576305 where: bonds (distance) C4'-P energy: -127.832 bonds (distance) P-C4' energy: -126.284 flat angles C4'-P-C4' energy: -148.746 flat angles P-C4'-P energy: -91.416 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: 3, replica: 10 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1950.487678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.487678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.487678 (E_RNA) where: Base-Base interactions energy: -1363.563 where: short stacking energy: -563.554 Base-Backbone interact. energy: -5.186 local terms energy: -581.738552 where: bonds (distance) C4'-P energy: -118.498 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -125.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2013.094557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.094557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.094557 (E_RNA) where: Base-Base interactions energy: -1351.493 where: short stacking energy: -599.646 Base-Backbone interact. energy: -1.902 local terms energy: -659.699706 where: bonds (distance) C4'-P energy: -132.880 bonds (distance) P-C4' energy: -135.766 flat angles C4'-P-C4' energy: -142.935 flat angles P-C4'-P energy: -87.838 tors. eta vs tors. theta energy: -160.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1843.123638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.123638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.123638 (E_RNA) where: Base-Base interactions energy: -1260.712 where: short stacking energy: -567.497 Base-Backbone interact. energy: -1.204 local terms energy: -581.207747 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -122.934 flat angles C4'-P-C4' energy: -119.788 flat angles P-C4'-P energy: -93.423 tors. eta vs tors. theta energy: -136.193 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: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1709.266147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.266147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.266147 (E_RNA) where: Base-Base interactions energy: -1127.688 where: short stacking energy: -501.519 Base-Backbone interact. energy: -4.682 local terms energy: -576.896728 where: bonds (distance) C4'-P energy: -108.879 bonds (distance) P-C4' energy: -121.559 flat angles C4'-P-C4' energy: -139.767 flat angles P-C4'-P energy: -75.055 tors. eta vs tors. theta energy: -131.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1556.010321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.010321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.010321 (E_RNA) where: Base-Base interactions energy: -1042.817 where: short stacking energy: -468.698 Base-Backbone interact. energy: -2.770 local terms energy: -510.423937 where: bonds (distance) C4'-P energy: -125.803 bonds (distance) P-C4' energy: -108.177 flat angles C4'-P-C4' energy: -108.563 flat angles P-C4'-P energy: -67.575 tors. eta vs tors. theta energy: -100.305 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: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1456.716085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.716085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.716085 (E_RNA) where: Base-Base interactions energy: -926.106 where: short stacking energy: -385.836 Base-Backbone interact. energy: 1.992 local terms energy: -532.602188 where: bonds (distance) C4'-P energy: -110.452 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -117.242 flat angles P-C4'-P energy: -82.864 tors. eta vs tors. theta energy: -96.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1049.878783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.878783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.878783 (E_RNA) where: Base-Base interactions energy: -645.001 where: short stacking energy: -314.126 Base-Backbone interact. energy: -1.572 local terms energy: -403.305413 where: bonds (distance) C4'-P energy: -111.573 bonds (distance) P-C4' energy: -102.376 flat angles C4'-P-C4' energy: -96.383 flat angles P-C4'-P energy: -57.743 tors. eta vs tors. theta energy: -35.231 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: 7 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -525.831277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.831277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.831277 (E_RNA) where: Base-Base interactions energy: -191.537 where: short stacking energy: -138.224 Base-Backbone interact. energy: 3.399 local terms energy: -337.692698 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -107.685 flat angles C4'-P-C4' energy: -97.156 flat angles P-C4'-P energy: -46.968 tors. eta vs tors. theta energy: 18.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2280.337943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.337943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.337943 (E_RNA) where: Base-Base interactions energy: -1581.562 where: short stacking energy: -666.494 Base-Backbone interact. energy: -0.628 local terms energy: -698.147963 where: bonds (distance) C4'-P energy: -126.069 bonds (distance) P-C4' energy: -133.606 flat angles C4'-P-C4' energy: -156.569 flat angles P-C4'-P energy: -101.919 tors. eta vs tors. theta energy: -179.984 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: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2212.518756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.518756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.518756 (E_RNA) where: Base-Base interactions energy: -1555.143 where: short stacking energy: -668.839 Base-Backbone interact. energy: -4.071 local terms energy: -653.305000 where: bonds (distance) C4'-P energy: -125.386 bonds (distance) P-C4' energy: -127.444 flat angles C4'-P-C4' energy: -132.221 flat angles P-C4'-P energy: -98.380 tors. eta vs tors. theta energy: -169.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1969.255076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.255076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.255076 (E_RNA) where: Base-Base interactions energy: -1342.143 where: short stacking energy: -546.555 Base-Backbone interact. energy: -1.433 local terms energy: -625.679919 where: bonds (distance) C4'-P energy: -117.038 bonds (distance) P-C4' energy: -133.883 flat angles C4'-P-C4' energy: -139.215 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -143.958 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: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1995.609740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.609740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.609740 (E_RNA) where: Base-Base interactions energy: -1342.235 where: short stacking energy: -584.102 Base-Backbone interact. energy: -0.719 local terms energy: -652.655260 where: bonds (distance) C4'-P energy: -143.887 bonds (distance) P-C4' energy: -126.516 flat angles C4'-P-C4' energy: -120.047 flat angles P-C4'-P energy: -95.730 tors. eta vs tors. theta energy: -166.476 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: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1858.233390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.233390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.233390 (E_RNA) where: Base-Base interactions energy: -1269.868 where: short stacking energy: -553.050 Base-Backbone interact. energy: -1.383 local terms energy: -586.982320 where: bonds (distance) C4'-P energy: -112.187 bonds (distance) P-C4' energy: -123.343 flat angles C4'-P-C4' energy: -139.094 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -141.982 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: 85 Temperature: 1.150000 Total energy: -1603.344229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.344229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.344229 (E_RNA) where: Base-Base interactions energy: -1077.737 where: short stacking energy: -497.417 Base-Backbone interact. energy: -3.562 local terms energy: -522.045507 where: bonds (distance) C4'-P energy: -101.865 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -128.857 flat angles P-C4'-P energy: -75.537 tors. eta vs tors. theta energy: -114.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1477.064061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.064061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.064061 (E_RNA) where: Base-Base interactions energy: -991.638 where: short stacking energy: -420.715 Base-Backbone interact. energy: 3.011 local terms energy: -488.436916 where: bonds (distance) C4'-P energy: -106.445 bonds (distance) P-C4' energy: -110.488 flat angles C4'-P-C4' energy: -114.512 flat angles P-C4'-P energy: -65.104 tors. eta vs tors. theta energy: -91.888 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: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1464.191500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.191500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.191500 (E_RNA) where: Base-Base interactions energy: -945.558 where: short stacking energy: -390.396 Base-Backbone interact. energy: 1.950 local terms energy: -520.584106 where: bonds (distance) C4'-P energy: -114.181 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -116.920 flat angles P-C4'-P energy: -84.541 tors. eta vs tors. theta energy: -91.284 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: 2 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1013.208631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.208631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.208631 (E_RNA) where: Base-Base interactions energy: -591.710 where: short stacking energy: -289.781 Base-Backbone interact. energy: 3.032 local terms energy: -424.530146 where: bonds (distance) C4'-P energy: -113.335 bonds (distance) P-C4' energy: -99.270 flat angles C4'-P-C4' energy: -102.716 flat angles P-C4'-P energy: -64.874 tors. eta vs tors. theta energy: -44.334 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: 7 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -661.494653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.494653 (E_RNA) where: Base-Base interactions energy: -306.182 where: short stacking energy: -204.766 Base-Backbone interact. energy: 0.275 local terms energy: -355.588371 where: bonds (distance) C4'-P energy: -90.155 bonds (distance) P-C4' energy: -113.223 flat angles C4'-P-C4' energy: -89.205 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2280.033401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.033401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.033401 (E_RNA) where: Base-Base interactions energy: -1579.291 where: short stacking energy: -669.201 Base-Backbone interact. energy: -6.391 local terms energy: -694.351612 where: bonds (distance) C4'-P energy: -128.466 bonds (distance) P-C4' energy: -131.932 flat angles C4'-P-C4' energy: -152.578 flat angles P-C4'-P energy: -98.346 tors. eta vs tors. theta energy: -183.030 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: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2251.456200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.456200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.456200 (E_RNA) where: Base-Base interactions energy: -1575.148 where: short stacking energy: -663.562 Base-Backbone interact. energy: -2.568 local terms energy: -673.740053 where: bonds (distance) C4'-P energy: -116.034 bonds (distance) P-C4' energy: -134.132 flat angles C4'-P-C4' energy: -144.690 flat angles P-C4'-P energy: -94.912 tors. eta vs tors. theta energy: -183.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2045.821087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.821087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.821087 (E_RNA) where: Base-Base interactions energy: -1406.373 where: short stacking energy: -613.811 Base-Backbone interact. energy: -1.603 local terms energy: -637.844748 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -130.784 flat angles C4'-P-C4' energy: -134.685 flat angles P-C4'-P energy: -99.644 tors. eta vs tors. theta energy: -160.333 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: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1946.205395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.205395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.205395 (E_RNA) where: Base-Base interactions energy: -1326.690 where: short stacking energy: -566.898 Base-Backbone interact. energy: -2.902 local terms energy: -616.613784 where: bonds (distance) C4'-P energy: -111.924 bonds (distance) P-C4' energy: -122.283 flat angles C4'-P-C4' energy: -144.043 flat angles P-C4'-P energy: -90.548 tors. eta vs tors. theta energy: -147.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1873.491332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.491332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.491332 (E_RNA) where: Base-Base interactions energy: -1270.524 where: short stacking energy: -529.686 Base-Backbone interact. energy: -6.250 local terms energy: -596.717426 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -118.688 flat angles C4'-P-C4' energy: -134.050 flat angles P-C4'-P energy: -88.066 tors. eta vs tors. theta energy: -138.580 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: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1638.393798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.393798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.393798 (E_RNA) where: Base-Base interactions energy: -1087.231 where: short stacking energy: -486.743 Base-Backbone interact. energy: 0.261 local terms energy: -551.423933 where: bonds (distance) C4'-P energy: -129.677 bonds (distance) P-C4' energy: -107.357 flat angles C4'-P-C4' energy: -121.096 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -106.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1496.184113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.184113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.184113 (E_RNA) where: Base-Base interactions energy: -972.945 where: short stacking energy: -429.403 Base-Backbone interact. energy: 0.675 local terms energy: -523.914588 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -125.093 flat angles C4'-P-C4' energy: -121.236 flat angles P-C4'-P energy: -78.907 tors. eta vs tors. theta energy: -89.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1524.873246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.873246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.873246 (E_RNA) where: Base-Base interactions energy: -1004.161 where: short stacking energy: -424.638 Base-Backbone interact. energy: -3.044 local terms energy: -517.668236 where: bonds (distance) C4'-P energy: -105.906 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -108.459 flat angles P-C4'-P energy: -71.171 tors. eta vs tors. theta energy: -111.806 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: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -996.581850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.581850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.581850 (E_RNA) where: Base-Base interactions energy: -596.518 where: short stacking energy: -279.544 Base-Backbone interact. energy: 1.223 local terms energy: -401.286618 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -112.391 flat angles P-C4'-P energy: -31.684 tors. eta vs tors. theta energy: -41.592 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: 10, replica: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -647.242641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.242641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.242641 (E_RNA) where: Base-Base interactions energy: -319.946 where: short stacking energy: -176.101 Base-Backbone interact. energy: -0.294 local terms energy: -327.003060 where: bonds (distance) C4'-P energy: -117.376 bonds (distance) P-C4' energy: -110.532 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -50.164 tors. eta vs tors. theta energy: 18.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2267.745806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.745806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.745806 (E_RNA) where: Base-Base interactions energy: -1616.465 where: short stacking energy: -658.154 Base-Backbone interact. energy: -0.714 local terms energy: -650.566444 where: bonds (distance) C4'-P energy: -125.661 bonds (distance) P-C4' energy: -118.244 flat angles C4'-P-C4' energy: -138.225 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -173.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2251.025295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.025295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.025295 (E_RNA) where: Base-Base interactions energy: -1558.307 where: short stacking energy: -666.318 Base-Backbone interact. energy: -4.123 local terms energy: -688.594991 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -134.949 flat angles C4'-P-C4' energy: -150.291 flat angles P-C4'-P energy: -90.971 tors. eta vs tors. theta energy: -179.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2060.041319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.041319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.041319 (E_RNA) where: Base-Base interactions energy: -1421.444 where: short stacking energy: -616.992 Base-Backbone interact. energy: -3.110 local terms energy: -635.486692 where: bonds (distance) C4'-P energy: -130.820 bonds (distance) P-C4' energy: -116.911 flat angles C4'-P-C4' energy: -142.170 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: -161.659 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1914.602738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.602738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.602738 (E_RNA) where: Base-Base interactions energy: -1287.070 where: short stacking energy: -568.244 Base-Backbone interact. energy: -2.998 local terms energy: -624.534721 where: bonds (distance) C4'-P energy: -119.207 bonds (distance) P-C4' energy: -124.801 flat angles C4'-P-C4' energy: -140.106 flat angles P-C4'-P energy: -81.787 tors. eta vs tors. theta energy: -158.634 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: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1813.109394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.109394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.109394 (E_RNA) where: Base-Base interactions energy: -1255.298 where: short stacking energy: -514.289 Base-Backbone interact. energy: 1.872 local terms energy: -559.683646 where: bonds (distance) C4'-P energy: -119.642 bonds (distance) P-C4' energy: -112.577 flat angles C4'-P-C4' energy: -120.829 flat angles P-C4'-P energy: -77.992 tors. eta vs tors. theta energy: -128.644 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: 87 Temperature: 1.150000 Total energy: -1574.156712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.156712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.156712 (E_RNA) where: Base-Base interactions energy: -1033.007 where: short stacking energy: -479.483 Base-Backbone interact. energy: 0.586 local terms energy: -541.736074 where: bonds (distance) C4'-P energy: -104.878 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -143.759 flat angles P-C4'-P energy: -83.783 tors. eta vs tors. theta energy: -98.946 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: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1498.529127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.529127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.529127 (E_RNA) where: Base-Base interactions energy: -1024.202 where: short stacking energy: -433.757 Base-Backbone interact. energy: 3.278 local terms energy: -477.604653 where: bonds (distance) C4'-P energy: -112.246 bonds (distance) P-C4' energy: -115.631 flat angles C4'-P-C4' energy: -96.645 flat angles P-C4'-P energy: -64.994 tors. eta vs tors. theta energy: -88.089 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: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1537.381400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.381400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.381400 (E_RNA) where: Base-Base interactions energy: -1044.890 where: short stacking energy: -489.268 Base-Backbone interact. energy: -0.147 local terms energy: -492.345151 where: bonds (distance) C4'-P energy: -90.602 bonds (distance) P-C4' energy: -104.027 flat angles C4'-P-C4' energy: -127.478 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -111.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -986.232757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.232757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.232757 (E_RNA) where: Base-Base interactions energy: -561.530 where: short stacking energy: -284.638 Base-Backbone interact. energy: 0.970 local terms energy: -425.672991 where: bonds (distance) C4'-P energy: -111.336 bonds (distance) P-C4' energy: -92.385 flat angles C4'-P-C4' energy: -111.367 flat angles P-C4'-P energy: -65.046 tors. eta vs tors. theta energy: -45.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -618.670166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.670166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.670166 (E_RNA) where: Base-Base interactions energy: -286.638 where: short stacking energy: -190.963 Base-Backbone interact. energy: -1.862 local terms energy: -330.170509 where: bonds (distance) C4'-P energy: -107.243 bonds (distance) P-C4' energy: -98.277 flat angles C4'-P-C4' energy: -90.001 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: 16.873 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: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2287.144455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.144455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.144455 (E_RNA) where: Base-Base interactions energy: -1602.261 where: short stacking energy: -659.070 Base-Backbone interact. energy: -2.773 local terms energy: -682.110580 where: bonds (distance) C4'-P energy: -130.431 bonds (distance) P-C4' energy: -132.179 flat angles C4'-P-C4' energy: -157.090 flat angles P-C4'-P energy: -90.574 tors. eta vs tors. theta energy: -171.837 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: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2220.536821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.536821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.536821 (E_RNA) where: Base-Base interactions energy: -1570.626 where: short stacking energy: -661.070 Base-Backbone interact. energy: -0.777 local terms energy: -649.133916 where: bonds (distance) C4'-P energy: -119.258 bonds (distance) P-C4' energy: -121.771 flat angles C4'-P-C4' energy: -143.786 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -181.556 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: 5 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2071.445370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.445370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.445370 (E_RNA) where: Base-Base interactions energy: -1438.110 where: short stacking energy: -636.678 Base-Backbone interact. energy: -0.844 local terms energy: -632.491598 where: bonds (distance) C4'-P energy: -116.679 bonds (distance) P-C4' energy: -111.880 flat angles C4'-P-C4' energy: -148.143 flat angles P-C4'-P energy: -85.666 tors. eta vs tors. theta energy: -170.123 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: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1893.113738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.113738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.113738 (E_RNA) where: Base-Base interactions energy: -1283.232 where: short stacking energy: -538.836 Base-Backbone interact. energy: -1.387 local terms energy: -608.494731 where: bonds (distance) C4'-P energy: -127.872 bonds (distance) P-C4' energy: -137.107 flat angles C4'-P-C4' energy: -130.680 flat angles P-C4'-P energy: -75.024 tors. eta vs tors. theta energy: -137.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1847.025583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.025583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.025583 (E_RNA) where: Base-Base interactions energy: -1241.431 where: short stacking energy: -530.037 Base-Backbone interact. energy: -4.866 local terms energy: -600.728615 where: bonds (distance) C4'-P energy: -128.426 bonds (distance) P-C4' energy: -121.160 flat angles C4'-P-C4' energy: -135.278 flat angles P-C4'-P energy: -83.920 tors. eta vs tors. theta energy: -131.945 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: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1620.961916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.961916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.961916 (E_RNA) where: Base-Base interactions energy: -1043.403 where: short stacking energy: -454.907 Base-Backbone interact. energy: -1.703 local terms energy: -575.856007 where: bonds (distance) C4'-P energy: -128.048 bonds (distance) P-C4' energy: -123.714 flat angles C4'-P-C4' energy: -131.604 flat angles P-C4'-P energy: -65.903 tors. eta vs tors. theta energy: -126.587 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: 7, replica: 1 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1617.387622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.387622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.387622 (E_RNA) where: Base-Base interactions energy: -1115.187 where: short stacking energy: -467.644 Base-Backbone interact. energy: 3.335 local terms energy: -505.534920 where: bonds (distance) C4'-P energy: -91.383 bonds (distance) P-C4' energy: -109.959 flat angles C4'-P-C4' energy: -123.345 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -98.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1529.137409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.137409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.137409 (E_RNA) where: Base-Base interactions energy: -1024.432 where: short stacking energy: -419.216 Base-Backbone interact. energy: -2.418 local terms energy: -502.287392 where: bonds (distance) C4'-P energy: -95.972 bonds (distance) P-C4' energy: -113.948 flat angles C4'-P-C4' energy: -121.336 flat angles P-C4'-P energy: -81.511 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: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -984.187169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.187169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.187169 (E_RNA) where: Base-Base interactions energy: -550.063 where: short stacking energy: -271.330 Base-Backbone interact. energy: 0.065 local terms energy: -434.189632 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -102.752 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -76.616 tors. eta vs tors. theta energy: -34.452 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -577.127296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.127296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.127296 (E_RNA) where: Base-Base interactions energy: -254.621 where: short stacking energy: -182.443 Base-Backbone interact. energy: 2.082 local terms energy: -324.588747 where: bonds (distance) C4'-P energy: -94.239 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: 11.150 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: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2294.177716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.177716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.177716 (E_RNA) where: Base-Base interactions energy: -1601.796 where: short stacking energy: -676.005 Base-Backbone interact. energy: -3.319 local terms energy: -689.063092 where: bonds (distance) C4'-P energy: -125.485 bonds (distance) P-C4' energy: -131.635 flat angles C4'-P-C4' energy: -155.533 flat angles P-C4'-P energy: -101.996 tors. eta vs tors. theta energy: -174.414 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: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2241.620887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.620887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.620887 (E_RNA) where: Base-Base interactions energy: -1553.160 where: short stacking energy: -645.928 Base-Backbone interact. energy: -3.462 local terms energy: -684.999371 where: bonds (distance) C4'-P energy: -135.333 bonds (distance) P-C4' energy: -128.345 flat angles C4'-P-C4' energy: -158.376 flat angles P-C4'-P energy: -94.723 tors. eta vs tors. theta energy: -168.223 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: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2054.479530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.479530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.479530 (E_RNA) where: Base-Base interactions energy: -1434.856 where: short stacking energy: -593.014 Base-Backbone interact. energy: -0.123 local terms energy: -619.501112 where: bonds (distance) C4'-P energy: -115.434 bonds (distance) P-C4' energy: -127.522 flat angles C4'-P-C4' energy: -133.595 flat angles P-C4'-P energy: -96.559 tors. eta vs tors. theta energy: -146.392 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: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1860.607413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.607413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.607413 (E_RNA) where: Base-Base interactions energy: -1277.529 where: short stacking energy: -511.037 Base-Backbone interact. energy: -3.946 local terms energy: -579.132486 where: bonds (distance) C4'-P energy: -131.415 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -124.707 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -108.062 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: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1755.485998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.485998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.485998 (E_RNA) where: Base-Base interactions energy: -1185.698 where: short stacking energy: -502.993 Base-Backbone interact. energy: -2.047 local terms energy: -567.740195 where: bonds (distance) C4'-P energy: -120.630 bonds (distance) P-C4' energy: -123.998 flat angles C4'-P-C4' energy: -132.331 flat angles P-C4'-P energy: -72.456 tors. eta vs tors. theta energy: -118.325 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: 6, replica: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1728.213818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.213818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.213818 (E_RNA) where: Base-Base interactions energy: -1181.922 where: short stacking energy: -488.445 Base-Backbone interact. energy: 5.026 local terms energy: -551.317585 where: bonds (distance) C4'-P energy: -113.294 bonds (distance) P-C4' energy: -117.299 flat angles C4'-P-C4' energy: -132.627 flat angles P-C4'-P energy: -62.049 tors. eta vs tors. theta energy: -126.050 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: 7, replica: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1595.643091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.643091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.643091 (E_RNA) where: Base-Base interactions energy: -1051.594 where: short stacking energy: -477.114 Base-Backbone interact. energy: -3.727 local terms energy: -540.322031 where: bonds (distance) C4'-P energy: -97.144 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -135.424 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -116.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1496.652440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.652440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.652440 (E_RNA) where: Base-Base interactions energy: -1003.084 where: short stacking energy: -418.296 Base-Backbone interact. energy: -2.014 local terms energy: -491.553998 where: bonds (distance) C4'-P energy: -96.331 bonds (distance) P-C4' energy: -118.733 flat angles C4'-P-C4' energy: -112.586 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -91.106 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: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -924.727596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.727596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.727596 (E_RNA) where: Base-Base interactions energy: -520.928 where: short stacking energy: -249.534 Base-Backbone interact. energy: 3.470 local terms energy: -407.269153 where: bonds (distance) C4'-P energy: -116.192 bonds (distance) P-C4' energy: -116.372 flat angles C4'-P-C4' energy: -101.917 flat angles P-C4'-P energy: -55.262 tors. eta vs tors. theta energy: -17.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -599.189497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.189497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.189497 (E_RNA) where: Base-Base interactions energy: -263.118 where: short stacking energy: -180.293 Base-Backbone interact. energy: 3.553 local terms energy: -339.624782 where: bonds (distance) C4'-P energy: -113.445 bonds (distance) P-C4' energy: -122.724 flat angles C4'-P-C4' energy: -85.089 flat angles P-C4'-P energy: -40.356 tors. eta vs tors. theta energy: 21.990 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: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2270.637760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.637760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.637760 (E_RNA) where: Base-Base interactions energy: -1597.020 where: short stacking energy: -660.281 Base-Backbone interact. energy: -2.701 local terms energy: -670.916989 where: bonds (distance) C4'-P energy: -130.352 bonds (distance) P-C4' energy: -136.133 flat angles C4'-P-C4' energy: -136.920 flat angles P-C4'-P energy: -90.620 tors. eta vs tors. theta energy: -176.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2219.264562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.264562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.264562 (E_RNA) where: Base-Base interactions energy: -1556.646 where: short stacking energy: -659.248 Base-Backbone interact. energy: -1.427 local terms energy: -661.191486 where: bonds (distance) C4'-P energy: -114.580 bonds (distance) P-C4' energy: -130.726 flat angles C4'-P-C4' energy: -144.177 flat angles P-C4'-P energy: -94.953 tors. eta vs tors. theta energy: -176.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2095.540141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.540141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.540141 (E_RNA) where: Base-Base interactions energy: -1446.907 where: short stacking energy: -618.640 Base-Backbone interact. energy: -2.875 local terms energy: -645.758529 where: bonds (distance) C4'-P energy: -124.347 bonds (distance) P-C4' energy: -136.702 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -157.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1921.123873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.123873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.123873 (E_RNA) where: Base-Base interactions energy: -1343.256 where: short stacking energy: -513.927 Base-Backbone interact. energy: -2.908 local terms energy: -574.959869 where: bonds (distance) C4'-P energy: -101.278 bonds (distance) P-C4' energy: -133.468 flat angles C4'-P-C4' energy: -135.327 flat angles P-C4'-P energy: -78.113 tors. eta vs tors. theta energy: -126.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1811.675599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.675599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.675599 (E_RNA) where: Base-Base interactions energy: -1220.523 where: short stacking energy: -541.462 Base-Backbone interact. energy: -3.888 local terms energy: -587.264211 where: bonds (distance) C4'-P energy: -121.989 bonds (distance) P-C4' energy: -124.941 flat angles C4'-P-C4' energy: -140.510 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -132.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1648.409183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.409183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.409183 (E_RNA) where: Base-Base interactions energy: -1124.926 where: short stacking energy: -479.184 Base-Backbone interact. energy: -3.228 local terms energy: -520.255447 where: bonds (distance) C4'-P energy: -110.666 bonds (distance) P-C4' energy: -113.550 flat angles C4'-P-C4' energy: -108.319 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -119.935 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: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1595.335759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.335759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.335759 (E_RNA) where: Base-Base interactions energy: -1090.334 where: short stacking energy: -468.254 Base-Backbone interact. energy: -1.758 local terms energy: -503.243710 where: bonds (distance) C4'-P energy: -103.161 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -114.807 flat angles P-C4'-P energy: -68.378 tors. eta vs tors. theta energy: -102.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1457.299471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.299471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.299471 (E_RNA) where: Base-Base interactions energy: -970.461 where: short stacking energy: -428.729 Base-Backbone interact. energy: -2.503 local terms energy: -484.335695 where: bonds (distance) C4'-P energy: -100.515 bonds (distance) P-C4' energy: -110.544 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -58.144 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: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -953.386319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.386319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.386319 (E_RNA) where: Base-Base interactions energy: -541.980 where: short stacking energy: -281.023 Base-Backbone interact. energy: 4.090 local terms energy: -415.496372 where: bonds (distance) C4'-P energy: -109.643 bonds (distance) P-C4' energy: -98.235 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -39.123 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -624.419833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.419833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.419833 (E_RNA) where: Base-Base interactions energy: -306.285 where: short stacking energy: -177.927 Base-Backbone interact. energy: 0.501 local terms energy: -318.635755 where: bonds (distance) C4'-P energy: -103.720 bonds (distance) P-C4' energy: -106.706 flat angles C4'-P-C4' energy: -82.669 flat angles P-C4'-P energy: -27.903 tors. eta vs tors. theta energy: 2.363 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: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2295.583719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.583719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.583719 (E_RNA) where: Base-Base interactions energy: -1617.699 where: short stacking energy: -694.445 Base-Backbone interact. energy: -3.779 local terms energy: -674.105075 where: bonds (distance) C4'-P energy: -121.399 bonds (distance) P-C4' energy: -129.969 flat angles C4'-P-C4' energy: -144.116 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -179.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2218.422891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.422891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.422891 (E_RNA) where: Base-Base interactions energy: -1535.325 where: short stacking energy: -634.251 Base-Backbone interact. energy: -1.638 local terms energy: -681.459778 where: bonds (distance) C4'-P energy: -121.659 bonds (distance) P-C4' energy: -134.366 flat angles C4'-P-C4' energy: -148.152 flat angles P-C4'-P energy: -102.948 tors. eta vs tors. theta energy: -174.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2089.674897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.674897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.674897 (E_RNA) where: Base-Base interactions energy: -1423.945 where: short stacking energy: -595.972 Base-Backbone interact. energy: -1.096 local terms energy: -664.633634 where: bonds (distance) C4'-P energy: -121.559 bonds (distance) P-C4' energy: -127.832 flat angles C4'-P-C4' energy: -155.291 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -158.168 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: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1935.595123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.595123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.595123 (E_RNA) where: Base-Base interactions energy: -1320.154 where: short stacking energy: -527.452 Base-Backbone interact. energy: 3.611 local terms energy: -619.052085 where: bonds (distance) C4'-P energy: -124.731 bonds (distance) P-C4' energy: -129.451 flat angles C4'-P-C4' energy: -141.344 flat angles P-C4'-P energy: -97.012 tors. eta vs tors. theta energy: -126.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1828.465387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.465387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.465387 (E_RNA) where: Base-Base interactions energy: -1251.055 where: short stacking energy: -531.943 Base-Backbone interact. energy: -3.766 local terms energy: -573.645047 where: bonds (distance) C4'-P energy: -114.251 bonds (distance) P-C4' energy: -126.667 flat angles C4'-P-C4' energy: -124.175 flat angles P-C4'-P energy: -83.553 tors. eta vs tors. theta energy: -124.999 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1681.611944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.611944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.611944 (E_RNA) where: Base-Base interactions energy: -1125.081 where: short stacking energy: -486.591 Base-Backbone interact. energy: -4.477 local terms energy: -552.053957 where: bonds (distance) C4'-P energy: -122.508 bonds (distance) P-C4' energy: -124.710 flat angles C4'-P-C4' energy: -122.782 flat angles P-C4'-P energy: -66.496 tors. eta vs tors. theta energy: -115.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1615.462179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.462179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.462179 (E_RNA) where: Base-Base interactions energy: -1098.521 where: short stacking energy: -464.239 Base-Backbone interact. energy: -2.720 local terms energy: -514.220522 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -126.000 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -60.523 tors. eta vs tors. theta energy: -99.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1306.314950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.314950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.314950 (E_RNA) where: Base-Base interactions energy: -847.873 where: short stacking energy: -353.470 Base-Backbone interact. energy: 1.998 local terms energy: -460.439017 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -110.960 flat angles C4'-P-C4' energy: -105.734 flat angles P-C4'-P energy: -82.649 tors. eta vs tors. theta energy: -56.535 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: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -975.010000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.010000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.010000 (E_RNA) where: Base-Base interactions energy: -580.584 where: short stacking energy: -299.804 Base-Backbone interact. energy: 3.747 local terms energy: -398.173350 where: bonds (distance) C4'-P energy: -92.766 bonds (distance) P-C4' energy: -103.338 flat angles C4'-P-C4' energy: -101.296 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: -43.459 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: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -602.114337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.114337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.114337 (E_RNA) where: Base-Base interactions energy: -244.490 where: short stacking energy: -174.983 Base-Backbone interact. energy: -1.515 local terms energy: -356.109792 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -109.999 flat angles C4'-P-C4' energy: -88.877 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: 6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2300.701466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.701466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.701466 (E_RNA) where: Base-Base interactions energy: -1612.029 where: short stacking energy: -686.580 Base-Backbone interact. energy: -2.395 local terms energy: -686.278103 where: bonds (distance) C4'-P energy: -119.796 bonds (distance) P-C4' energy: -137.613 flat angles C4'-P-C4' energy: -150.646 flat angles P-C4'-P energy: -103.769 tors. eta vs tors. theta energy: -174.454 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: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2228.285214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.285214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.285214 (E_RNA) where: Base-Base interactions energy: -1573.046 where: short stacking energy: -658.615 Base-Backbone interact. energy: -5.165 local terms energy: -650.074138 where: bonds (distance) C4'-P energy: -123.614 bonds (distance) P-C4' energy: -124.234 flat angles C4'-P-C4' energy: -148.552 flat angles P-C4'-P energy: -85.722 tors. eta vs tors. theta energy: -167.952 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: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2093.659889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.659889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.659889 (E_RNA) where: Base-Base interactions energy: -1443.296 where: short stacking energy: -618.616 Base-Backbone interact. energy: -3.229 local terms energy: -647.134559 where: bonds (distance) C4'-P energy: -131.993 bonds (distance) P-C4' energy: -126.380 flat angles C4'-P-C4' energy: -134.306 flat angles P-C4'-P energy: -91.560 tors. eta vs tors. theta energy: -162.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1941.935134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.935134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.935134 (E_RNA) where: Base-Base interactions energy: -1369.563 where: short stacking energy: -559.658 Base-Backbone interact. energy: -0.951 local terms energy: -571.421396 where: bonds (distance) C4'-P energy: -120.966 bonds (distance) P-C4' energy: -116.014 flat angles C4'-P-C4' energy: -119.798 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -143.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1821.723392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.723392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.723392 (E_RNA) where: Base-Base interactions energy: -1266.279 where: short stacking energy: -503.782 Base-Backbone interact. energy: -5.305 local terms energy: -550.139981 where: bonds (distance) C4'-P energy: -93.187 bonds (distance) P-C4' energy: -111.795 flat angles C4'-P-C4' energy: -126.032 flat angles P-C4'-P energy: -84.860 tors. eta vs tors. theta energy: -134.266 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: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1612.738727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.738727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.738727 (E_RNA) where: Base-Base interactions energy: -1096.255 where: short stacking energy: -478.772 Base-Backbone interact. energy: 1.799 local terms energy: -518.282832 where: bonds (distance) C4'-P energy: -108.469 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -124.714 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -111.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1567.755852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.755852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.755852 (E_RNA) where: Base-Base interactions energy: -1051.521 where: short stacking energy: -443.316 Base-Backbone interact. energy: 7.091 local terms energy: -523.325414 where: bonds (distance) C4'-P energy: -106.705 bonds (distance) P-C4' energy: -121.755 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -87.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1383.435741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.435741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.435741 (E_RNA) where: Base-Base interactions energy: -921.549 where: short stacking energy: -415.206 Base-Backbone interact. energy: -3.051 local terms energy: -458.835131 where: bonds (distance) C4'-P energy: -109.507 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -124.584 flat angles P-C4'-P energy: -45.044 tors. eta vs tors. theta energy: -75.118 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: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1139.651700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.651700 (E_RNA) where: Base-Base interactions energy: -698.645 where: short stacking energy: -369.030 Base-Backbone interact. energy: -1.801 local terms energy: -439.205381 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -105.531 flat angles C4'-P-C4' energy: -90.937 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -69.130 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: 10, replica: 7 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -579.088307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.088307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.088307 (E_RNA) where: Base-Base interactions energy: -227.833 where: short stacking energy: -160.798 Base-Backbone interact. energy: 0.526 local terms energy: -351.780513 where: bonds (distance) C4'-P energy: -105.474 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -94.073 flat angles P-C4'-P energy: -62.114 tors. eta vs tors. theta energy: 14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2287.949134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.949134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.949134 (E_RNA) where: Base-Base interactions energy: -1600.303 where: short stacking energy: -681.121 Base-Backbone interact. energy: -4.332 local terms energy: -683.314086 where: bonds (distance) C4'-P energy: -121.945 bonds (distance) P-C4' energy: -146.710 flat angles C4'-P-C4' energy: -144.504 flat angles P-C4'-P energy: -89.279 tors. eta vs tors. theta energy: -180.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2238.302558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.302558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.302558 (E_RNA) where: Base-Base interactions energy: -1576.297 where: short stacking energy: -619.268 Base-Backbone interact. energy: 2.253 local terms energy: -664.258552 where: bonds (distance) C4'-P energy: -126.392 bonds (distance) P-C4' energy: -129.350 flat angles C4'-P-C4' energy: -149.271 flat angles P-C4'-P energy: -82.714 tors. eta vs tors. theta energy: -176.531 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: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2131.144306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.144306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.144306 (E_RNA) where: Base-Base interactions energy: -1478.361 where: short stacking energy: -634.192 Base-Backbone interact. energy: 0.450 local terms energy: -653.232678 where: bonds (distance) C4'-P energy: -120.272 bonds (distance) P-C4' energy: -135.555 flat angles C4'-P-C4' energy: -136.013 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -173.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1952.289335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.289335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.289335 (E_RNA) where: Base-Base interactions energy: -1372.719 where: short stacking energy: -586.555 Base-Backbone interact. energy: 5.705 local terms energy: -585.275084 where: bonds (distance) C4'-P energy: -112.986 bonds (distance) P-C4' energy: -115.175 flat angles C4'-P-C4' energy: -120.636 flat angles P-C4'-P energy: -78.199 tors. eta vs tors. theta energy: -158.279 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: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1854.594182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.594182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.594182 (E_RNA) where: Base-Base interactions energy: -1270.827 where: short stacking energy: -551.729 Base-Backbone interact. energy: 0.406 local terms energy: -584.173440 where: bonds (distance) C4'-P energy: -126.714 bonds (distance) P-C4' energy: -118.166 flat angles C4'-P-C4' energy: -110.859 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -137.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1670.520415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.520415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.520415 (E_RNA) where: Base-Base interactions energy: -1117.186 where: short stacking energy: -488.602 Base-Backbone interact. energy: 0.501 local terms energy: -553.835917 where: bonds (distance) C4'-P energy: -103.852 bonds (distance) P-C4' energy: -112.874 flat angles C4'-P-C4' energy: -125.738 flat angles P-C4'-P energy: -89.862 tors. eta vs tors. theta energy: -121.510 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: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1584.874598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.874598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.874598 (E_RNA) where: Base-Base interactions energy: -1074.227 where: short stacking energy: -449.695 Base-Backbone interact. energy: 0.928 local terms energy: -511.576369 where: bonds (distance) C4'-P energy: -93.002 bonds (distance) P-C4' energy: -110.032 flat angles C4'-P-C4' energy: -124.171 flat angles P-C4'-P energy: -78.501 tors. eta vs tors. theta energy: -105.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1348.395565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.395565 (E_RNA) where: Base-Base interactions energy: -846.830 where: short stacking energy: -359.668 Base-Backbone interact. energy: -0.360 local terms energy: -501.204921 where: bonds (distance) C4'-P energy: -109.832 bonds (distance) P-C4' energy: -106.251 flat angles C4'-P-C4' energy: -119.673 flat angles P-C4'-P energy: -70.653 tors. eta vs tors. theta energy: -94.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1101.308547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.308547 (E_RNA) where: Base-Base interactions energy: -676.852 where: short stacking energy: -333.974 Base-Backbone interact. energy: -0.235 local terms energy: -424.221950 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -107.939 flat angles C4'-P-C4' energy: -114.178 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -60.503 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: 10, replica: 7 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -633.150253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.150253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.150253 (E_RNA) where: Base-Base interactions energy: -262.378 where: short stacking energy: -185.274 Base-Backbone interact. energy: 1.559 local terms energy: -372.331426 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -113.558 flat angles C4'-P-C4' energy: -96.480 flat angles P-C4'-P energy: -47.664 tors. eta vs tors. theta energy: 7.000 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: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2315.482776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.482776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.482776 (E_RNA) where: Base-Base interactions energy: -1616.161 where: short stacking energy: -657.023 Base-Backbone interact. energy: 0.338 local terms energy: -699.660142 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -124.326 flat angles C4'-P-C4' energy: -151.173 flat angles P-C4'-P energy: -101.599 tors. eta vs tors. theta energy: -189.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2242.357090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.357090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.357090 (E_RNA) where: Base-Base interactions energy: -1565.096 where: short stacking energy: -648.239 Base-Backbone interact. energy: -0.303 local terms energy: -676.958789 where: bonds (distance) C4'-P energy: -135.043 bonds (distance) P-C4' energy: -131.576 flat angles C4'-P-C4' energy: -143.996 flat angles P-C4'-P energy: -83.288 tors. eta vs tors. theta energy: -183.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2108.468827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.468827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.468827 (E_RNA) where: Base-Base interactions energy: -1437.191 where: short stacking energy: -636.575 Base-Backbone interact. energy: -0.661 local terms energy: -670.616007 where: bonds (distance) C4'-P energy: -133.944 bonds (distance) P-C4' energy: -128.077 flat angles C4'-P-C4' energy: -140.028 flat angles P-C4'-P energy: -95.509 tors. eta vs tors. theta energy: -173.058 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: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1958.219423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.219423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.219423 (E_RNA) where: Base-Base interactions energy: -1348.528 where: short stacking energy: -537.704 Base-Backbone interact. energy: -4.372 local terms energy: -605.319984 where: bonds (distance) C4'-P energy: -112.891 bonds (distance) P-C4' energy: -124.174 flat angles C4'-P-C4' energy: -147.589 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -133.841 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: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1871.184319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.184319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.184319 (E_RNA) where: Base-Base interactions energy: -1271.454 where: short stacking energy: -556.007 Base-Backbone interact. energy: -2.887 local terms energy: -596.843501 where: bonds (distance) C4'-P energy: -127.370 bonds (distance) P-C4' energy: -114.935 flat angles C4'-P-C4' energy: -134.466 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -143.267 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: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1625.537356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.537356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.537356 (E_RNA) where: Base-Base interactions energy: -1118.171 where: short stacking energy: -461.064 Base-Backbone interact. energy: -3.872 local terms energy: -503.493828 where: bonds (distance) C4'-P energy: -99.058 bonds (distance) P-C4' energy: -121.563 flat angles C4'-P-C4' energy: -116.655 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -89.109 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: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1621.925874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.925874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.925874 (E_RNA) where: Base-Base interactions energy: -1090.461 where: short stacking energy: -471.826 Base-Backbone interact. energy: 0.669 local terms energy: -532.134309 where: bonds (distance) C4'-P energy: -108.948 bonds (distance) P-C4' energy: -122.710 flat angles C4'-P-C4' energy: -115.221 flat angles P-C4'-P energy: -67.318 tors. eta vs tors. theta energy: -117.937 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: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1318.237502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.237502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.237502 (E_RNA) where: Base-Base interactions energy: -868.905 where: short stacking energy: -364.448 Base-Backbone interact. energy: -0.086 local terms energy: -449.246168 where: bonds (distance) C4'-P energy: -107.673 bonds (distance) P-C4' energy: -103.608 flat angles C4'-P-C4' energy: -101.414 flat angles P-C4'-P energy: -67.471 tors. eta vs tors. theta energy: -69.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1093.417232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.417232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.417232 (E_RNA) where: Base-Base interactions energy: -676.653 where: short stacking energy: -331.933 Base-Backbone interact. energy: 0.078 local terms energy: -416.841895 where: bonds (distance) C4'-P energy: -95.600 bonds (distance) P-C4' energy: -113.689 flat angles C4'-P-C4' energy: -92.395 flat angles P-C4'-P energy: -73.382 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: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -606.958234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.958234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.958234 (E_RNA) where: Base-Base interactions energy: -235.559 where: short stacking energy: -143.762 Base-Backbone interact. energy: -0.661 local terms energy: -370.738376 where: bonds (distance) C4'-P energy: -107.922 bonds (distance) P-C4' energy: -112.459 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: 6.459 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: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2306.964793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.964793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.964793 (E_RNA) where: Base-Base interactions energy: -1629.578 where: short stacking energy: -673.853 Base-Backbone interact. energy: -0.790 local terms energy: -676.596623 where: bonds (distance) C4'-P energy: -123.367 bonds (distance) P-C4' energy: -133.605 flat angles C4'-P-C4' energy: -146.417 flat angles P-C4'-P energy: -89.494 tors. eta vs tors. theta energy: -183.713 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: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2246.893041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.893041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.893041 (E_RNA) where: Base-Base interactions energy: -1581.600 where: short stacking energy: -658.904 Base-Backbone interact. energy: -5.548 local terms energy: -659.745041 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -125.482 flat angles C4'-P-C4' energy: -135.023 flat angles P-C4'-P energy: -98.098 tors. eta vs tors. theta energy: -175.062 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: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2136.443995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.443995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.443995 (E_RNA) where: Base-Base interactions energy: -1476.723 where: short stacking energy: -602.065 Base-Backbone interact. energy: -2.396 local terms energy: -657.325772 where: bonds (distance) C4'-P energy: -126.249 bonds (distance) P-C4' energy: -134.626 flat angles C4'-P-C4' energy: -144.941 flat angles P-C4'-P energy: -90.220 tors. eta vs tors. theta energy: -161.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2002.149899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.149899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.149899 (E_RNA) where: Base-Base interactions energy: -1404.564 where: short stacking energy: -568.960 Base-Backbone interact. energy: -1.025 local terms energy: -596.560632 where: bonds (distance) C4'-P energy: -115.706 bonds (distance) P-C4' energy: -124.365 flat angles C4'-P-C4' energy: -138.054 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -142.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1832.843213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.843213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.843213 (E_RNA) where: Base-Base interactions energy: -1263.852 where: short stacking energy: -563.642 Base-Backbone interact. energy: -5.965 local terms energy: -563.025861 where: bonds (distance) C4'-P energy: -111.351 bonds (distance) P-C4' energy: -103.178 flat angles C4'-P-C4' energy: -116.673 flat angles P-C4'-P energy: -84.777 tors. eta vs tors. theta energy: -147.048 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: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1671.486868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.486868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.486868 (E_RNA) where: Base-Base interactions energy: -1120.098 where: short stacking energy: -506.582 Base-Backbone interact. energy: -1.629 local terms energy: -549.759342 where: bonds (distance) C4'-P energy: -111.020 bonds (distance) P-C4' energy: -109.711 flat angles C4'-P-C4' energy: -125.304 flat angles P-C4'-P energy: -86.142 tors. eta vs tors. theta energy: -117.583 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: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1560.889443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.889443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.889443 (E_RNA) where: Base-Base interactions energy: -1056.010 where: short stacking energy: -475.368 Base-Backbone interact. energy: -2.866 local terms energy: -502.013634 where: bonds (distance) C4'-P energy: -118.098 bonds (distance) P-C4' energy: -116.115 flat angles C4'-P-C4' energy: -105.641 flat angles P-C4'-P energy: -70.824 tors. eta vs tors. theta energy: -91.336 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: 8, replica: 8 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1327.343339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.343339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.343339 (E_RNA) where: Base-Base interactions energy: -861.282 where: short stacking energy: -358.735 Base-Backbone interact. energy: 0.795 local terms energy: -466.855972 where: bonds (distance) C4'-P energy: -109.510 bonds (distance) P-C4' energy: -110.145 flat angles C4'-P-C4' energy: -102.894 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -80.930 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: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1026.396879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.396879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.396879 (E_RNA) where: Base-Base interactions energy: -640.643 where: short stacking energy: -311.008 Base-Backbone interact. energy: 7.966 local terms energy: -393.719986 where: bonds (distance) C4'-P energy: -116.174 bonds (distance) P-C4' energy: -98.559 flat angles C4'-P-C4' energy: -74.383 flat angles P-C4'-P energy: -64.386 tors. eta vs tors. theta energy: -40.217 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: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -614.025679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.025679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.025679 (E_RNA) where: Base-Base interactions energy: -284.025 where: short stacking energy: -190.131 Base-Backbone interact. energy: -0.783 local terms energy: -329.217871 where: bonds (distance) C4'-P energy: -105.114 bonds (distance) P-C4' energy: -88.668 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: 12.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2301.624751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.624751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.624751 (E_RNA) where: Base-Base interactions energy: -1625.894 where: short stacking energy: -692.707 Base-Backbone interact. energy: -3.481 local terms energy: -672.249561 where: bonds (distance) C4'-P energy: -126.531 bonds (distance) P-C4' energy: -132.343 flat angles C4'-P-C4' energy: -147.295 flat angles P-C4'-P energy: -89.070 tors. eta vs tors. theta energy: -177.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2226.833721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.833721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.833721 (E_RNA) where: Base-Base interactions energy: -1553.862 where: short stacking energy: -656.624 Base-Backbone interact. energy: -4.066 local terms energy: -668.905498 where: bonds (distance) C4'-P energy: -131.062 bonds (distance) P-C4' energy: -113.860 flat angles C4'-P-C4' energy: -157.444 flat angles P-C4'-P energy: -84.616 tors. eta vs tors. theta energy: -181.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2126.871104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.871104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.871104 (E_RNA) where: Base-Base interactions energy: -1462.869 where: short stacking energy: -628.521 Base-Backbone interact. energy: -2.218 local terms energy: -661.784023 where: bonds (distance) C4'-P energy: -128.837 bonds (distance) P-C4' energy: -123.497 flat angles C4'-P-C4' energy: -160.898 flat angles P-C4'-P energy: -92.324 tors. eta vs tors. theta energy: -156.228 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1998.575537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.575537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.575537 (E_RNA) where: Base-Base interactions energy: -1426.409 where: short stacking energy: -579.934 Base-Backbone interact. energy: -0.784 local terms energy: -571.382871 where: bonds (distance) C4'-P energy: -121.207 bonds (distance) P-C4' energy: -111.629 flat angles C4'-P-C4' energy: -130.299 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -141.821 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: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1845.906601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.906601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.906601 (E_RNA) where: Base-Base interactions energy: -1263.148 where: short stacking energy: -544.647 Base-Backbone interact. energy: -0.226 local terms energy: -582.532587 where: bonds (distance) C4'-P energy: -108.021 bonds (distance) P-C4' energy: -117.875 flat angles C4'-P-C4' energy: -140.298 flat angles P-C4'-P energy: -89.311 tors. eta vs tors. theta energy: -127.028 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: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1721.540281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.540281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.540281 (E_RNA) where: Base-Base interactions energy: -1117.976 where: short stacking energy: -510.179 Base-Backbone interact. energy: 0.320 local terms energy: -603.883877 where: bonds (distance) C4'-P energy: -107.369 bonds (distance) P-C4' energy: -134.420 flat angles C4'-P-C4' energy: -114.440 flat angles P-C4'-P energy: -97.322 tors. eta vs tors. theta energy: -150.334 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: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1494.046546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.046546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.046546 (E_RNA) where: Base-Base interactions energy: -1014.973 where: short stacking energy: -459.468 Base-Backbone interact. energy: -1.196 local terms energy: -477.877679 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -97.899 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -103.151 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: 8, replica: 8 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1406.213029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.213029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.213029 (E_RNA) where: Base-Base interactions energy: -933.640 where: short stacking energy: -429.232 Base-Backbone interact. energy: -5.654 local terms energy: -466.919291 where: bonds (distance) C4'-P energy: -99.613 bonds (distance) P-C4' energy: -110.725 flat angles C4'-P-C4' energy: -84.496 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -100.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1013.380899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.380899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.380899 (E_RNA) where: Base-Base interactions energy: -597.690 where: short stacking energy: -283.848 Base-Backbone interact. energy: -0.223 local terms energy: -415.467570 where: bonds (distance) C4'-P energy: -106.414 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -96.482 flat angles P-C4'-P energy: -68.673 tors. eta vs tors. theta energy: -39.179 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: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -599.355292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.355292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.355292 (E_RNA) where: Base-Base interactions energy: -263.685 where: short stacking energy: -148.010 Base-Backbone interact. energy: -0.017 local terms energy: -335.653137 where: bonds (distance) C4'-P energy: -97.115 bonds (distance) P-C4' energy: -117.279 flat angles C4'-P-C4' energy: -86.462 flat angles P-C4'-P energy: -57.183 tors. eta vs tors. theta energy: 22.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2272.787373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.787373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.787373 (E_RNA) where: Base-Base interactions energy: -1588.185 where: short stacking energy: -668.882 Base-Backbone interact. energy: -3.810 local terms energy: -680.792366 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -124.652 flat angles C4'-P-C4' energy: -142.651 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -181.926 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: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2247.343361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.343361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.343361 (E_RNA) where: Base-Base interactions energy: -1550.952 where: short stacking energy: -666.258 Base-Backbone interact. energy: -0.306 local terms energy: -696.085620 where: bonds (distance) C4'-P energy: -120.363 bonds (distance) P-C4' energy: -139.472 flat angles C4'-P-C4' energy: -148.571 flat angles P-C4'-P energy: -91.397 tors. eta vs tors. theta energy: -196.283 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: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2140.941594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.941594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.941594 (E_RNA) where: Base-Base interactions energy: -1501.117 where: short stacking energy: -655.603 Base-Backbone interact. energy: -2.648 local terms energy: -637.176179 where: bonds (distance) C4'-P energy: -115.566 bonds (distance) P-C4' energy: -130.286 flat angles C4'-P-C4' energy: -136.690 flat angles P-C4'-P energy: -93.188 tors. eta vs tors. theta energy: -161.446 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: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1981.288503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.288503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.288503 (E_RNA) where: Base-Base interactions energy: -1370.428 where: short stacking energy: -553.085 Base-Backbone interact. energy: -7.992 local terms energy: -602.868059 where: bonds (distance) C4'-P energy: -131.575 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -130.955 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -136.569 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: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1883.090036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.090036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.090036 (E_RNA) where: Base-Base interactions energy: -1297.205 where: short stacking energy: -532.873 Base-Backbone interact. energy: -2.593 local terms energy: -583.291305 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -125.140 flat angles C4'-P-C4' energy: -135.762 flat angles P-C4'-P energy: -82.494 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: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1680.035238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.035238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.035238 (E_RNA) where: Base-Base interactions energy: -1132.389 where: short stacking energy: -487.719 Base-Backbone interact. energy: -0.633 local terms energy: -547.013055 where: bonds (distance) C4'-P energy: -112.791 bonds (distance) P-C4' energy: -104.126 flat angles C4'-P-C4' energy: -129.562 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -124.862 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: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1499.637370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.637370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.637370 (E_RNA) where: Base-Base interactions energy: -1006.192 where: short stacking energy: -443.975 Base-Backbone interact. energy: -2.017 local terms energy: -491.428191 where: bonds (distance) C4'-P energy: -105.854 bonds (distance) P-C4' energy: -114.712 flat angles C4'-P-C4' energy: -108.223 flat angles P-C4'-P energy: -71.426 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: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1313.340736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.340736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.340736 (E_RNA) where: Base-Base interactions energy: -871.616 where: short stacking energy: -396.560 Base-Backbone interact. energy: -2.126 local terms energy: -439.598873 where: bonds (distance) C4'-P energy: -106.415 bonds (distance) P-C4' energy: -99.144 flat angles C4'-P-C4' energy: -101.460 flat angles P-C4'-P energy: -56.607 tors. eta vs tors. theta energy: -75.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1041.771087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.771087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.771087 (E_RNA) where: Base-Base interactions energy: -605.680 where: short stacking energy: -312.723 Base-Backbone interact. energy: -1.592 local terms energy: -434.499545 where: bonds (distance) C4'-P energy: -109.245 bonds (distance) P-C4' energy: -110.859 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -58.919 tors. eta vs tors. theta energy: -56.787 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: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -570.108959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.108959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.108959 (E_RNA) where: Base-Base interactions energy: -249.955 where: short stacking energy: -167.921 Base-Backbone interact. energy: -2.185 local terms energy: -317.969854 where: bonds (distance) C4'-P energy: -97.462 bonds (distance) P-C4' energy: -112.140 flat angles C4'-P-C4' energy: -79.938 flat angles P-C4'-P energy: -49.615 tors. eta vs tors. theta energy: 21.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2280.261916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.261916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.261916 (E_RNA) where: Base-Base interactions energy: -1594.015 where: short stacking energy: -664.937 Base-Backbone interact. energy: -1.324 local terms energy: -684.922862 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -139.124 flat angles C4'-P-C4' energy: -147.275 flat angles P-C4'-P energy: -94.315 tors. eta vs tors. theta energy: -179.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2192.292934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.292934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.292934 (E_RNA) where: Base-Base interactions energy: -1518.916 where: short stacking energy: -642.292 Base-Backbone interact. energy: -1.699 local terms energy: -671.678064 where: bonds (distance) C4'-P energy: -125.632 bonds (distance) P-C4' energy: -133.465 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -97.453 tors. eta vs tors. theta energy: -172.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2140.681058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.681058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.681058 (E_RNA) where: Base-Base interactions energy: -1495.923 where: short stacking energy: -639.496 Base-Backbone interact. energy: -4.373 local terms energy: -640.385137 where: bonds (distance) C4'-P energy: -120.439 bonds (distance) P-C4' energy: -128.182 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -87.021 tors. eta vs tors. theta energy: -165.616 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: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1989.309692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.309692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.309692 (E_RNA) where: Base-Base interactions energy: -1410.473 where: short stacking energy: -569.620 Base-Backbone interact. energy: 4.587 local terms energy: -583.424301 where: bonds (distance) C4'-P energy: -112.451 bonds (distance) P-C4' energy: -103.727 flat angles C4'-P-C4' energy: -134.495 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -148.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1875.618911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.618911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.618911 (E_RNA) where: Base-Base interactions energy: -1293.579 where: short stacking energy: -558.112 Base-Backbone interact. energy: 1.187 local terms energy: -583.226734 where: bonds (distance) C4'-P energy: -116.307 bonds (distance) P-C4' energy: -120.952 flat angles C4'-P-C4' energy: -122.084 flat angles P-C4'-P energy: -84.883 tors. eta vs tors. theta energy: -139.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1684.141633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.141633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.141633 (E_RNA) where: Base-Base interactions energy: -1145.497 where: short stacking energy: -514.108 Base-Backbone interact. energy: -0.270 local terms energy: -538.374537 where: bonds (distance) C4'-P energy: -112.491 bonds (distance) P-C4' energy: -117.894 flat angles C4'-P-C4' energy: -107.355 flat angles P-C4'-P energy: -76.583 tors. eta vs tors. theta energy: -124.052 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: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1501.160360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.160360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.160360 (E_RNA) where: Base-Base interactions energy: -1014.603 where: short stacking energy: -461.259 Base-Backbone interact. energy: 0.824 local terms energy: -487.380814 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -105.258 flat angles C4'-P-C4' energy: -97.473 flat angles P-C4'-P energy: -71.025 tors. eta vs tors. theta energy: -106.319 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: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1276.015397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.015397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.015397 (E_RNA) where: Base-Base interactions energy: -829.923 where: short stacking energy: -374.420 Base-Backbone interact. energy: -0.138 local terms energy: -445.954690 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -124.306 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -63.811 tors. eta vs tors. theta energy: -59.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1084.277129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.277129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.277129 (E_RNA) where: Base-Base interactions energy: -676.693 where: short stacking energy: -316.928 Base-Backbone interact. energy: 1.670 local terms energy: -409.254179 where: bonds (distance) C4'-P energy: -97.361 bonds (distance) P-C4' energy: -114.362 flat angles C4'-P-C4' energy: -108.825 flat angles P-C4'-P energy: -47.264 tors. eta vs tors. theta energy: -41.442 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: 7 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -610.539510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.539510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.539510 (E_RNA) where: Base-Base interactions energy: -294.923 where: short stacking energy: -217.207 Base-Backbone interact. energy: 5.533 local terms energy: -321.149522 where: bonds (distance) C4'-P energy: -85.291 bonds (distance) P-C4' energy: -93.316 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: 3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2303.548825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.548825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.548825 (E_RNA) where: Base-Base interactions energy: -1590.101 where: short stacking energy: -661.422 Base-Backbone interact. energy: -5.296 local terms energy: -708.152523 where: bonds (distance) C4'-P energy: -137.139 bonds (distance) P-C4' energy: -134.322 flat angles C4'-P-C4' energy: -152.941 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -179.519 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: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2163.999001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.999001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.999001 (E_RNA) where: Base-Base interactions energy: -1491.343 where: short stacking energy: -633.095 Base-Backbone interact. energy: 0.454 local terms energy: -673.109297 where: bonds (distance) C4'-P energy: -116.793 bonds (distance) P-C4' energy: -134.225 flat angles C4'-P-C4' energy: -145.707 flat angles P-C4'-P energy: -101.275 tors. eta vs tors. theta energy: -175.110 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: 3, replica: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2125.659224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.659224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.659224 (E_RNA) where: Base-Base interactions energy: -1475.354 where: short stacking energy: -623.057 Base-Backbone interact. energy: 0.851 local terms energy: -651.156210 where: bonds (distance) C4'-P energy: -131.931 bonds (distance) P-C4' energy: -126.644 flat angles C4'-P-C4' energy: -142.697 flat angles P-C4'-P energy: -82.919 tors. eta vs tors. theta energy: -166.966 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: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1957.371295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.371295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.371295 (E_RNA) where: Base-Base interactions energy: -1382.631 where: short stacking energy: -575.057 Base-Backbone interact. energy: 0.216 local terms energy: -574.955836 where: bonds (distance) C4'-P energy: -102.124 bonds (distance) P-C4' energy: -114.320 flat angles C4'-P-C4' energy: -131.534 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -140.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1895.741654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.741654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.741654 (E_RNA) where: Base-Base interactions energy: -1303.412 where: short stacking energy: -575.638 Base-Backbone interact. energy: -3.727 local terms energy: -588.602306 where: bonds (distance) C4'-P energy: -106.249 bonds (distance) P-C4' energy: -122.585 flat angles C4'-P-C4' energy: -140.497 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -137.959 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1688.239152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.239152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.239152 (E_RNA) where: Base-Base interactions energy: -1125.054 where: short stacking energy: -508.494 Base-Backbone interact. energy: -3.358 local terms energy: -559.826499 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -119.747 flat angles C4'-P-C4' energy: -129.305 flat angles P-C4'-P energy: -84.786 tors. eta vs tors. theta energy: -121.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1450.154055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.154055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.154055 (E_RNA) where: Base-Base interactions energy: -939.204 where: short stacking energy: -444.570 Base-Backbone interact. energy: -4.218 local terms energy: -506.731696 where: bonds (distance) C4'-P energy: -117.093 bonds (distance) P-C4' energy: -104.221 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -66.963 tors. eta vs tors. theta energy: -107.742 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: 8, replica: 8 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1185.234397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.234397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.234397 (E_RNA) where: Base-Base interactions energy: -727.531 where: short stacking energy: -353.237 Base-Backbone interact. energy: -1.989 local terms energy: -455.714347 where: bonds (distance) C4'-P energy: -113.852 bonds (distance) P-C4' energy: -109.972 flat angles C4'-P-C4' energy: -104.859 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: -61.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1008.145484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.145484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.145484 (E_RNA) where: Base-Base interactions energy: -594.787 where: short stacking energy: -263.410 Base-Backbone interact. energy: 0.078 local terms energy: -413.436841 where: bonds (distance) C4'-P energy: -100.339 bonds (distance) P-C4' energy: -105.555 flat angles C4'-P-C4' energy: -110.390 flat angles P-C4'-P energy: -64.779 tors. eta vs tors. theta energy: -32.373 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: 7 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -575.084538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.084538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.084538 (E_RNA) where: Base-Base interactions energy: -234.136 where: short stacking energy: -163.760 Base-Backbone interact. energy: 1.437 local terms energy: -342.385661 where: bonds (distance) C4'-P energy: -104.433 bonds (distance) P-C4' energy: -115.468 flat angles C4'-P-C4' energy: -82.264 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: 10.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2300.426826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.426826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.426826 (E_RNA) where: Base-Base interactions energy: -1609.772 where: short stacking energy: -675.148 Base-Backbone interact. energy: -2.838 local terms energy: -687.816786 where: bonds (distance) C4'-P energy: -136.371 bonds (distance) P-C4' energy: -125.211 flat angles C4'-P-C4' energy: -150.692 flat angles P-C4'-P energy: -86.052 tors. eta vs tors. theta energy: -189.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2182.756811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.756811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.756811 (E_RNA) where: Base-Base interactions energy: -1525.549 where: short stacking energy: -660.094 Base-Backbone interact. energy: -0.164 local terms energy: -657.044017 where: bonds (distance) C4'-P energy: -122.585 bonds (distance) P-C4' energy: -129.355 flat angles C4'-P-C4' energy: -131.307 flat angles P-C4'-P energy: -96.986 tors. eta vs tors. theta energy: -176.811 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: 5 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2138.458380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.458380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.458380 (E_RNA) where: Base-Base interactions energy: -1473.823 where: short stacking energy: -597.934 Base-Backbone interact. energy: -2.039 local terms energy: -662.596818 where: bonds (distance) C4'-P energy: -117.486 bonds (distance) P-C4' energy: -139.450 flat angles C4'-P-C4' energy: -146.361 flat angles P-C4'-P energy: -98.347 tors. eta vs tors. theta energy: -160.953 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: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1998.315241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.315241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.315241 (E_RNA) where: Base-Base interactions energy: -1408.904 where: short stacking energy: -585.299 Base-Backbone interact. energy: -1.313 local terms energy: -588.098272 where: bonds (distance) C4'-P energy: -111.173 bonds (distance) P-C4' energy: -121.057 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -82.114 tors. eta vs tors. theta energy: -139.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1907.719165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.719165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.719165 (E_RNA) where: Base-Base interactions energy: -1337.760 where: short stacking energy: -568.272 Base-Backbone interact. energy: -4.353 local terms energy: -565.605726 where: bonds (distance) C4'-P energy: -103.177 bonds (distance) P-C4' energy: -120.533 flat angles C4'-P-C4' energy: -121.034 flat angles P-C4'-P energy: -70.188 tors. eta vs tors. theta energy: -150.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1698.669300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.669300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.669300 (E_RNA) where: Base-Base interactions energy: -1128.992 where: short stacking energy: -488.357 Base-Backbone interact. energy: 0.281 local terms energy: -569.958123 where: bonds (distance) C4'-P energy: -106.353 bonds (distance) P-C4' energy: -115.718 flat angles C4'-P-C4' energy: -120.939 flat angles P-C4'-P energy: -93.436 tors. eta vs tors. theta energy: -133.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1439.722353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.722353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.722353 (E_RNA) where: Base-Base interactions energy: -970.070 where: short stacking energy: -422.663 Base-Backbone interact. energy: -1.789 local terms energy: -467.863740 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -121.464 flat angles C4'-P-C4' energy: -106.055 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -86.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1218.614550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.614550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.614550 (E_RNA) where: Base-Base interactions energy: -777.212 where: short stacking energy: -371.095 Base-Backbone interact. energy: 0.581 local terms energy: -441.982897 where: bonds (distance) C4'-P energy: -97.289 bonds (distance) P-C4' energy: -120.858 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -66.285 tors. eta vs tors. theta energy: -59.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1005.208068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.208068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.208068 (E_RNA) where: Base-Base interactions energy: -603.921 where: short stacking energy: -283.075 Base-Backbone interact. energy: -2.869 local terms energy: -398.418020 where: bonds (distance) C4'-P energy: -101.226 bonds (distance) P-C4' energy: -104.761 flat angles C4'-P-C4' energy: -107.800 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -26.912 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: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -536.616625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.616625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.616625 (E_RNA) where: Base-Base interactions energy: -221.809 where: short stacking energy: -151.205 Base-Backbone interact. energy: 0.293 local terms energy: -315.100898 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -112.260 flat angles C4'-P-C4' energy: -96.042 flat angles P-C4'-P energy: -31.331 tors. eta vs tors. theta energy: 10.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2346.158566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.158566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.158566 (E_RNA) where: Base-Base interactions energy: -1657.713 where: short stacking energy: -685.638 Base-Backbone interact. energy: -3.756 local terms energy: -684.689159 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -132.251 flat angles C4'-P-C4' energy: -151.402 flat angles P-C4'-P energy: -101.344 tors. eta vs tors. theta energy: -183.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2239.068239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.068239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.068239 (E_RNA) where: Base-Base interactions energy: -1553.884 where: short stacking energy: -674.025 Base-Backbone interact. energy: -5.090 local terms energy: -680.093910 where: bonds (distance) C4'-P energy: -133.225 bonds (distance) P-C4' energy: -114.850 flat angles C4'-P-C4' energy: -151.975 flat angles P-C4'-P energy: -95.380 tors. eta vs tors. theta energy: -184.664 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: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2108.982548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.982548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.982548 (E_RNA) where: Base-Base interactions energy: -1476.474 where: short stacking energy: -609.459 Base-Backbone interact. energy: -4.862 local terms energy: -627.646850 where: bonds (distance) C4'-P energy: -118.810 bonds (distance) P-C4' energy: -129.746 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -84.490 tors. eta vs tors. theta energy: -155.755 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: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2003.859634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.859634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.859634 (E_RNA) where: Base-Base interactions energy: -1411.817 where: short stacking energy: -594.806 Base-Backbone interact. energy: -2.897 local terms energy: -589.146041 where: bonds (distance) C4'-P energy: -111.545 bonds (distance) P-C4' energy: -116.895 flat angles C4'-P-C4' energy: -140.604 flat angles P-C4'-P energy: -69.591 tors. eta vs tors. theta energy: -150.511 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: 101 Temperature: 1.100000 Total energy: -1874.565852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.565852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.565852 (E_RNA) where: Base-Base interactions energy: -1303.735 where: short stacking energy: -553.345 Base-Backbone interact. energy: -1.557 local terms energy: -569.273423 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -99.691 flat angles C4'-P-C4' energy: -123.553 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -151.163 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: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1731.471739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.471739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.471739 (E_RNA) where: Base-Base interactions energy: -1170.925 where: short stacking energy: -513.620 Base-Backbone interact. energy: -4.630 local terms energy: -555.917135 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -132.217 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -129.210 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: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1435.527547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.527547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.527547 (E_RNA) where: Base-Base interactions energy: -981.971 where: short stacking energy: -430.327 Base-Backbone interact. energy: 0.859 local terms energy: -454.415298 where: bonds (distance) C4'-P energy: -111.816 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -108.006 flat angles P-C4'-P energy: -51.937 tors. eta vs tors. theta energy: -77.839 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: 8, replica: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1185.444184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.444184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.444184 (E_RNA) where: Base-Base interactions energy: -743.948 where: short stacking energy: -353.893 Base-Backbone interact. energy: -0.116 local terms energy: -441.380605 where: bonds (distance) C4'-P energy: -118.556 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -115.083 flat angles P-C4'-P energy: -55.820 tors. eta vs tors. theta energy: -64.021 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: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1059.576210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.576210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.576210 (E_RNA) where: Base-Base interactions energy: -640.300 where: short stacking energy: -305.559 Base-Backbone interact. energy: 0.871 local terms energy: -420.147530 where: bonds (distance) C4'-P energy: -99.966 bonds (distance) P-C4' energy: -118.697 flat angles C4'-P-C4' energy: -108.738 flat angles P-C4'-P energy: -46.800 tors. eta vs tors. theta energy: -45.947 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: 7 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -565.258607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.258607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.258607 (E_RNA) where: Base-Base interactions energy: -243.638 where: short stacking energy: -191.756 Base-Backbone interact. energy: -0.137 local terms energy: -321.484417 where: bonds (distance) C4'-P energy: -102.118 bonds (distance) P-C4' energy: -100.541 flat angles C4'-P-C4' energy: -73.105 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: 11.713 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: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2323.513753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.513753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.513753 (E_RNA) where: Base-Base interactions energy: -1618.866 where: short stacking energy: -681.624 Base-Backbone interact. energy: -2.340 local terms energy: -702.307302 where: bonds (distance) C4'-P energy: -126.392 bonds (distance) P-C4' energy: -131.258 flat angles C4'-P-C4' energy: -147.908 flat angles P-C4'-P energy: -95.201 tors. eta vs tors. theta energy: -201.548 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: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2197.399718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.399718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.399718 (E_RNA) where: Base-Base interactions energy: -1507.604 where: short stacking energy: -646.919 Base-Backbone interact. energy: -1.326 local terms energy: -688.469375 where: bonds (distance) C4'-P energy: -144.335 bonds (distance) P-C4' energy: -135.688 flat angles C4'-P-C4' energy: -146.578 flat angles P-C4'-P energy: -86.456 tors. eta vs tors. theta energy: -175.413 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: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2055.095952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.095952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.095952 (E_RNA) where: Base-Base interactions energy: -1419.699 where: short stacking energy: -599.770 Base-Backbone interact. energy: -2.804 local terms energy: -632.593307 where: bonds (distance) C4'-P energy: -121.255 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -143.243 flat angles P-C4'-P energy: -88.488 tors. eta vs tors. theta energy: -154.900 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: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2014.249976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.249976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.249976 (E_RNA) where: Base-Base interactions energy: -1424.063 where: short stacking energy: -584.386 Base-Backbone interact. energy: 1.056 local terms energy: -591.243127 where: bonds (distance) C4'-P energy: -109.013 bonds (distance) P-C4' energy: -115.611 flat angles C4'-P-C4' energy: -130.558 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: -153.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1875.612614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.612614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.612614 (E_RNA) where: Base-Base interactions energy: -1275.323 where: short stacking energy: -551.498 Base-Backbone interact. energy: -2.025 local terms energy: -598.264712 where: bonds (distance) C4'-P energy: -107.282 bonds (distance) P-C4' energy: -122.265 flat angles C4'-P-C4' energy: -122.922 flat angles P-C4'-P energy: -98.298 tors. eta vs tors. theta energy: -147.498 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: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1758.154557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.154557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.154557 (E_RNA) where: Base-Base interactions energy: -1179.777 where: short stacking energy: -538.549 Base-Backbone interact. energy: -1.501 local terms energy: -576.876367 where: bonds (distance) C4'-P energy: -121.628 bonds (distance) P-C4' energy: -107.001 flat angles C4'-P-C4' energy: -149.494 flat angles P-C4'-P energy: -77.792 tors. eta vs tors. theta energy: -120.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1414.545535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.545535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.545535 (E_RNA) where: Base-Base interactions energy: -923.366 where: short stacking energy: -403.068 Base-Backbone interact. energy: 0.828 local terms energy: -492.007680 where: bonds (distance) C4'-P energy: -96.743 bonds (distance) P-C4' energy: -115.005 flat angles C4'-P-C4' energy: -132.016 flat angles P-C4'-P energy: -68.068 tors. eta vs tors. theta energy: -80.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1178.713812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.713812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.713812 (E_RNA) where: Base-Base interactions energy: -748.421 where: short stacking energy: -384.174 Base-Backbone interact. energy: -2.131 local terms energy: -428.161801 where: bonds (distance) C4'-P energy: -101.720 bonds (distance) P-C4' energy: -103.879 flat angles C4'-P-C4' energy: -106.931 flat angles P-C4'-P energy: -62.617 tors. eta vs tors. theta energy: -53.016 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: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1143.106824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.106824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.106824 (E_RNA) where: Base-Base interactions energy: -707.546 where: short stacking energy: -336.720 Base-Backbone interact. energy: 3.801 local terms energy: -439.362551 where: bonds (distance) C4'-P energy: -118.541 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -69.140 tors. eta vs tors. theta energy: -58.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -511.699614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.699614 (E_RNA) where: Base-Base interactions energy: -191.909 where: short stacking energy: -160.020 Base-Backbone interact. energy: 0.063 local terms energy: -319.852723 where: bonds (distance) C4'-P energy: -102.040 bonds (distance) P-C4' energy: -113.799 flat angles C4'-P-C4' energy: -67.636 flat angles P-C4'-P energy: -47.530 tors. eta vs tors. theta energy: 11.152 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: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2330.632725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.632725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.632725 (E_RNA) where: Base-Base interactions energy: -1635.333 where: short stacking energy: -683.062 Base-Backbone interact. energy: -6.305 local terms energy: -688.993955 where: bonds (distance) C4'-P energy: -122.997 bonds (distance) P-C4' energy: -135.101 flat angles C4'-P-C4' energy: -152.938 flat angles P-C4'-P energy: -93.586 tors. eta vs tors. theta energy: -184.372 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: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2223.018561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.018561 (E_RNA) where: Base-Base interactions energy: -1567.639 where: short stacking energy: -671.721 Base-Backbone interact. energy: -2.163 local terms energy: -653.217085 where: bonds (distance) C4'-P energy: -107.123 bonds (distance) P-C4' energy: -128.230 flat angles C4'-P-C4' energy: -145.889 flat angles P-C4'-P energy: -94.570 tors. eta vs tors. theta energy: -177.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2101.725935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.725935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.725935 (E_RNA) where: Base-Base interactions energy: -1438.751 where: short stacking energy: -598.418 Base-Backbone interact. energy: -1.591 local terms energy: -661.384088 where: bonds (distance) C4'-P energy: -141.093 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -87.021 tors. eta vs tors. theta energy: -167.840 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: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2040.111960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.111960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.111960 (E_RNA) where: Base-Base interactions energy: -1408.671 where: short stacking energy: -580.834 Base-Backbone interact. energy: -0.962 local terms energy: -630.479232 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -141.491 flat angles C4'-P-C4' energy: -141.904 flat angles P-C4'-P energy: -88.382 tors. eta vs tors. theta energy: -143.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1866.339753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.339753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.339753 (E_RNA) where: Base-Base interactions energy: -1299.228 where: short stacking energy: -533.636 Base-Backbone interact. energy: 1.603 local terms energy: -568.715124 where: bonds (distance) C4'-P energy: -103.739 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -136.565 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -139.899 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: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1765.418235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.418235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.418235 (E_RNA) where: Base-Base interactions energy: -1204.559 where: short stacking energy: -534.511 Base-Backbone interact. energy: -1.751 local terms energy: -559.108848 where: bonds (distance) C4'-P energy: -109.616 bonds (distance) P-C4' energy: -122.213 flat angles C4'-P-C4' energy: -123.689 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -135.809 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: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1429.187864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.187864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.187864 (E_RNA) where: Base-Base interactions energy: -990.139 where: short stacking energy: -417.150 Base-Backbone interact. energy: 1.044 local terms energy: -440.092264 where: bonds (distance) C4'-P energy: -109.410 bonds (distance) P-C4' energy: -92.022 flat angles C4'-P-C4' energy: -100.216 flat angles P-C4'-P energy: -70.192 tors. eta vs tors. theta energy: -68.252 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: 8 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1214.575332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.575332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.575332 (E_RNA) where: Base-Base interactions energy: -766.627 where: short stacking energy: -384.807 Base-Backbone interact. energy: 0.680 local terms energy: -448.628379 where: bonds (distance) C4'-P energy: -99.808 bonds (distance) P-C4' energy: -107.328 flat angles C4'-P-C4' energy: -120.945 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -54.385 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: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1145.945757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.945757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.945757 (E_RNA) where: Base-Base interactions energy: -725.262 where: short stacking energy: -333.620 Base-Backbone interact. energy: 0.480 local terms energy: -421.163371 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -94.503 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -48.694 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: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -578.007727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.007727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.007727 (E_RNA) where: Base-Base interactions energy: -241.921 where: short stacking energy: -188.692 Base-Backbone interact. energy: 7.101 local terms energy: -343.187429 where: bonds (distance) C4'-P energy: -111.859 bonds (distance) P-C4' energy: -115.577 flat angles C4'-P-C4' energy: -81.071 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: 18.038 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: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2331.186229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.186229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.186229 (E_RNA) where: Base-Base interactions energy: -1620.166 where: short stacking energy: -658.689 Base-Backbone interact. energy: -4.463 local terms energy: -706.556857 where: bonds (distance) C4'-P energy: -131.029 bonds (distance) P-C4' energy: -136.440 flat angles C4'-P-C4' energy: -147.199 flat angles P-C4'-P energy: -97.586 tors. eta vs tors. theta energy: -194.303 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2210.425175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.425175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.425175 (E_RNA) where: Base-Base interactions energy: -1553.333 where: short stacking energy: -666.830 Base-Backbone interact. energy: -3.322 local terms energy: -653.770538 where: bonds (distance) C4'-P energy: -107.498 bonds (distance) P-C4' energy: -135.856 flat angles C4'-P-C4' energy: -144.823 flat angles P-C4'-P energy: -93.300 tors. eta vs tors. theta energy: -172.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2120.897777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.897777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.897777 (E_RNA) where: Base-Base interactions energy: -1475.321 where: short stacking energy: -636.795 Base-Backbone interact. energy: -4.433 local terms energy: -641.144078 where: bonds (distance) C4'-P energy: -126.177 bonds (distance) P-C4' energy: -124.784 flat angles C4'-P-C4' energy: -142.676 flat angles P-C4'-P energy: -85.731 tors. eta vs tors. theta energy: -161.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2037.019363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.019363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.019363 (E_RNA) where: Base-Base interactions energy: -1436.862 where: short stacking energy: -613.306 Base-Backbone interact. energy: 5.497 local terms energy: -605.654282 where: bonds (distance) C4'-P energy: -130.208 bonds (distance) P-C4' energy: -97.953 flat angles C4'-P-C4' energy: -141.484 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -163.399 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: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1855.182073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.182073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.182073 (E_RNA) where: Base-Base interactions energy: -1252.864 where: short stacking energy: -536.089 Base-Backbone interact. energy: -1.391 local terms energy: -600.927047 where: bonds (distance) C4'-P energy: -111.895 bonds (distance) P-C4' energy: -126.105 flat angles C4'-P-C4' energy: -125.334 flat angles P-C4'-P energy: -90.979 tors. eta vs tors. theta energy: -146.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1762.952986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.952986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.952986 (E_RNA) where: Base-Base interactions energy: -1220.726 where: short stacking energy: -531.084 Base-Backbone interact. energy: -1.902 local terms energy: -540.325382 where: bonds (distance) C4'-P energy: -131.788 bonds (distance) P-C4' energy: -101.033 flat angles C4'-P-C4' energy: -127.228 flat angles P-C4'-P energy: -60.775 tors. eta vs tors. theta energy: -119.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1477.192011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.192011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.192011 (E_RNA) where: Base-Base interactions energy: -943.731 where: short stacking energy: -440.724 Base-Backbone interact. energy: -3.028 local terms energy: -530.432746 where: bonds (distance) C4'-P energy: -114.387 bonds (distance) P-C4' energy: -126.462 flat angles C4'-P-C4' energy: -124.997 flat angles P-C4'-P energy: -64.190 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: 8, replica: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1204.339245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.339245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.339245 (E_RNA) where: Base-Base interactions energy: -763.517 where: short stacking energy: -365.449 Base-Backbone interact. energy: -4.187 local terms energy: -436.634775 where: bonds (distance) C4'-P energy: -103.535 bonds (distance) P-C4' energy: -101.061 flat angles C4'-P-C4' energy: -99.767 flat angles P-C4'-P energy: -69.116 tors. eta vs tors. theta energy: -63.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1137.352276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.352276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.352276 (E_RNA) where: Base-Base interactions energy: -696.173 where: short stacking energy: -319.442 Base-Backbone interact. energy: -2.719 local terms energy: -438.460641 where: bonds (distance) C4'-P energy: -112.788 bonds (distance) P-C4' energy: -103.983 flat angles C4'-P-C4' energy: -98.873 flat angles P-C4'-P energy: -50.352 tors. eta vs tors. theta energy: -72.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -533.276859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.276859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.276859 (E_RNA) where: Base-Base interactions energy: -192.296 where: short stacking energy: -150.105 Base-Backbone interact. energy: 1.624 local terms energy: -342.605205 where: bonds (distance) C4'-P energy: -99.807 bonds (distance) P-C4' energy: -108.574 flat angles C4'-P-C4' energy: -100.304 flat angles P-C4'-P energy: -55.075 tors. eta vs tors. theta energy: 21.154 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2323.144462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.144462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.144462 (E_RNA) where: Base-Base interactions energy: -1653.946 where: short stacking energy: -688.568 Base-Backbone interact. energy: -3.396 local terms energy: -665.802437 where: bonds (distance) C4'-P energy: -121.739 bonds (distance) P-C4' energy: -106.155 flat angles C4'-P-C4' energy: -156.900 flat angles P-C4'-P energy: -97.452 tors. eta vs tors. theta energy: -183.556 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: 105 Temperature: 0.950000 Total energy: -2239.303039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.303039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.303039 (E_RNA) where: Base-Base interactions energy: -1577.008 where: short stacking energy: -656.027 Base-Backbone interact. energy: 0.526 local terms energy: -662.820887 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -123.827 flat angles C4'-P-C4' energy: -144.146 flat angles P-C4'-P energy: -96.099 tors. eta vs tors. theta energy: -175.214 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: 3, replica: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2122.474179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.474179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.474179 (E_RNA) where: Base-Base interactions energy: -1467.231 where: short stacking energy: -638.811 Base-Backbone interact. energy: -3.279 local terms energy: -651.963966 where: bonds (distance) C4'-P energy: -113.887 bonds (distance) P-C4' energy: -130.377 flat angles C4'-P-C4' energy: -141.680 flat angles P-C4'-P energy: -96.880 tors. eta vs tors. theta energy: -169.140 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: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2036.398339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.398339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.398339 (E_RNA) where: Base-Base interactions energy: -1451.905 where: short stacking energy: -587.917 Base-Backbone interact. energy: 23.180 local terms energy: -607.673958 where: bonds (distance) C4'-P energy: -122.395 bonds (distance) P-C4' energy: -110.492 flat angles C4'-P-C4' energy: -131.268 flat angles P-C4'-P energy: -91.988 tors. eta vs tors. theta energy: -151.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1905.874103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.874103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.874103 (E_RNA) where: Base-Base interactions energy: -1292.072 where: short stacking energy: -557.416 Base-Backbone interact. energy: -5.332 local terms energy: -608.470725 where: bonds (distance) C4'-P energy: -111.348 bonds (distance) P-C4' energy: -115.584 flat angles C4'-P-C4' energy: -137.038 flat angles P-C4'-P energy: -92.859 tors. eta vs tors. theta energy: -151.642 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: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1758.396449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.396449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.396449 (E_RNA) where: Base-Base interactions energy: -1180.753 where: short stacking energy: -517.720 Base-Backbone interact. energy: -3.166 local terms energy: -574.477497 where: bonds (distance) C4'-P energy: -119.013 bonds (distance) P-C4' energy: -104.134 flat angles C4'-P-C4' energy: -127.264 flat angles P-C4'-P energy: -85.714 tors. eta vs tors. theta energy: -138.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1418.519212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.519212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.519212 (E_RNA) where: Base-Base interactions energy: -875.604 where: short stacking energy: -410.387 Base-Backbone interact. energy: 2.003 local terms energy: -544.917640 where: bonds (distance) C4'-P energy: -124.045 bonds (distance) P-C4' energy: -127.038 flat angles C4'-P-C4' energy: -121.214 flat angles P-C4'-P energy: -77.006 tors. eta vs tors. theta energy: -95.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1282.324355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.324355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.324355 (E_RNA) where: Base-Base interactions energy: -777.418 where: short stacking energy: -382.947 Base-Backbone interact. energy: -1.781 local terms energy: -503.124708 where: bonds (distance) C4'-P energy: -116.586 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -114.577 flat angles P-C4'-P energy: -78.123 tors. eta vs tors. theta energy: -82.514 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: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1181.212063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.212063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.212063 (E_RNA) where: Base-Base interactions energy: -737.193 where: short stacking energy: -347.714 Base-Backbone interact. energy: 3.535 local terms energy: -447.553654 where: bonds (distance) C4'-P energy: -100.448 bonds (distance) P-C4' energy: -122.782 flat angles C4'-P-C4' energy: -91.460 flat angles P-C4'-P energy: -78.580 tors. eta vs tors. theta energy: -54.283 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: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -511.066028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.066028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.066028 (E_RNA) where: Base-Base interactions energy: -177.513 where: short stacking energy: -136.499 Base-Backbone interact. energy: 1.535 local terms energy: -335.087800 where: bonds (distance) C4'-P energy: -112.309 bonds (distance) P-C4' energy: -117.936 flat angles C4'-P-C4' energy: -79.026 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: 24.475 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: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2302.208924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.208924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.208924 (E_RNA) where: Base-Base interactions energy: -1611.200 where: short stacking energy: -660.809 Base-Backbone interact. energy: -2.731 local terms energy: -688.277917 where: bonds (distance) C4'-P energy: -128.674 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -149.159 flat angles P-C4'-P energy: -87.892 tors. eta vs tors. theta energy: -187.931 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2244.158977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.158977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.158977 (E_RNA) where: Base-Base interactions energy: -1577.476 where: short stacking energy: -667.063 Base-Backbone interact. energy: 1.142 local terms energy: -667.824830 where: bonds (distance) C4'-P energy: -131.371 bonds (distance) P-C4' energy: -118.194 flat angles C4'-P-C4' energy: -140.498 flat angles P-C4'-P energy: -102.207 tors. eta vs tors. theta energy: -175.555 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: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2098.139602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.139602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.139602 (E_RNA) where: Base-Base interactions energy: -1436.288 where: short stacking energy: -624.201 Base-Backbone interact. energy: -4.722 local terms energy: -657.129393 where: bonds (distance) C4'-P energy: -118.411 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -137.882 flat angles P-C4'-P energy: -109.317 tors. eta vs tors. theta energy: -160.059 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2027.970558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.970558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.970558 (E_RNA) where: Base-Base interactions energy: -1425.643 where: short stacking energy: -601.703 Base-Backbone interact. energy: 2.917 local terms energy: -605.244912 where: bonds (distance) C4'-P energy: -100.024 bonds (distance) P-C4' energy: -117.212 flat angles C4'-P-C4' energy: -134.239 flat angles P-C4'-P energy: -92.831 tors. eta vs tors. theta energy: -160.939 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: 5, replica: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1907.108057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.108057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.108057 (E_RNA) where: Base-Base interactions energy: -1295.512 where: short stacking energy: -547.150 Base-Backbone interact. energy: -4.058 local terms energy: -607.538519 where: bonds (distance) C4'-P energy: -118.365 bonds (distance) P-C4' energy: -115.430 flat angles C4'-P-C4' energy: -123.849 flat angles P-C4'-P energy: -91.370 tors. eta vs tors. theta energy: -158.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1675.279343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.279343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.279343 (E_RNA) where: Base-Base interactions energy: -1137.306 where: short stacking energy: -479.210 Base-Backbone interact. energy: 1.769 local terms energy: -539.742443 where: bonds (distance) C4'-P energy: -105.790 bonds (distance) P-C4' energy: -107.054 flat angles C4'-P-C4' energy: -122.989 flat angles P-C4'-P energy: -82.492 tors. eta vs tors. theta energy: -121.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1416.784737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.784737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.784737 (E_RNA) where: Base-Base interactions energy: -941.587 where: short stacking energy: -391.475 Base-Backbone interact. energy: -3.717 local terms energy: -471.480401 where: bonds (distance) C4'-P energy: -110.897 bonds (distance) P-C4' energy: -105.047 flat angles C4'-P-C4' energy: -107.323 flat angles P-C4'-P energy: -78.389 tors. eta vs tors. theta energy: -69.824 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: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1247.077885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.077885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.077885 (E_RNA) where: Base-Base interactions energy: -790.562 where: short stacking energy: -368.077 Base-Backbone interact. energy: 2.643 local terms energy: -459.158284 where: bonds (distance) C4'-P energy: -123.860 bonds (distance) P-C4' energy: -106.855 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -59.757 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: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1174.383087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.383087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.383087 (E_RNA) where: Base-Base interactions energy: -762.629 where: short stacking energy: -358.110 Base-Backbone interact. energy: -3.559 local terms energy: -408.195237 where: bonds (distance) C4'-P energy: -87.144 bonds (distance) P-C4' energy: -110.348 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -57.185 tors. eta vs tors. theta energy: -58.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -557.627600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.627600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.627600 (E_RNA) where: Base-Base interactions energy: -231.350 where: short stacking energy: -185.062 Base-Backbone interact. energy: 0.044 local terms energy: -326.322054 where: bonds (distance) C4'-P energy: -116.646 bonds (distance) P-C4' energy: -96.059 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -32.511 tors. eta vs tors. theta energy: 3.176 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: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2310.287937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.287937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.287937 (E_RNA) where: Base-Base interactions energy: -1610.807 where: short stacking energy: -674.176 Base-Backbone interact. energy: -2.664 local terms energy: -696.816393 where: bonds (distance) C4'-P energy: -130.814 bonds (distance) P-C4' energy: -128.357 flat angles C4'-P-C4' energy: -157.193 flat angles P-C4'-P energy: -99.200 tors. eta vs tors. theta energy: -181.252 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: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2276.481003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.481003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.481003 (E_RNA) where: Base-Base interactions energy: -1589.595 where: short stacking energy: -673.601 Base-Backbone interact. energy: 0.110 local terms energy: -686.996133 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -123.942 flat angles C4'-P-C4' energy: -155.318 flat angles P-C4'-P energy: -92.316 tors. eta vs tors. theta energy: -188.498 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2123.036393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.036393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.036393 (E_RNA) where: Base-Base interactions energy: -1475.715 where: short stacking energy: -633.147 Base-Backbone interact. energy: -0.251 local terms energy: -647.070476 where: bonds (distance) C4'-P energy: -127.620 bonds (distance) P-C4' energy: -125.027 flat angles C4'-P-C4' energy: -122.083 flat angles P-C4'-P energy: -97.495 tors. eta vs tors. theta energy: -174.844 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: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2026.669934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.669934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.669934 (E_RNA) where: Base-Base interactions energy: -1451.304 where: short stacking energy: -595.737 Base-Backbone interact. energy: -1.201 local terms energy: -574.164613 where: bonds (distance) C4'-P energy: -97.928 bonds (distance) P-C4' energy: -111.476 flat angles C4'-P-C4' energy: -129.222 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -152.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1883.705575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.705575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.705575 (E_RNA) where: Base-Base interactions energy: -1297.342 where: short stacking energy: -527.314 Base-Backbone interact. energy: -0.673 local terms energy: -585.690505 where: bonds (distance) C4'-P energy: -119.503 bonds (distance) P-C4' energy: -130.207 flat angles C4'-P-C4' energy: -119.145 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -142.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1737.882291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.882291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.882291 (E_RNA) where: Base-Base interactions energy: -1186.017 where: short stacking energy: -525.280 Base-Backbone interact. energy: -1.944 local terms energy: -549.921496 where: bonds (distance) C4'-P energy: -107.024 bonds (distance) P-C4' energy: -112.919 flat angles C4'-P-C4' energy: -132.171 flat angles P-C4'-P energy: -64.941 tors. eta vs tors. theta energy: -132.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1495.702598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.702598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.702598 (E_RNA) where: Base-Base interactions energy: -1002.373 where: short stacking energy: -441.285 Base-Backbone interact. energy: 3.025 local terms energy: -496.355103 where: bonds (distance) C4'-P energy: -120.054 bonds (distance) P-C4' energy: -113.005 flat angles C4'-P-C4' energy: -124.632 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -74.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1279.641924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.641924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.641924 (E_RNA) where: Base-Base interactions energy: -825.259 where: short stacking energy: -351.681 Base-Backbone interact. energy: -1.554 local terms energy: -452.828898 where: bonds (distance) C4'-P energy: -101.348 bonds (distance) P-C4' energy: -134.626 flat angles C4'-P-C4' energy: -84.872 flat angles P-C4'-P energy: -80.068 tors. eta vs tors. theta energy: -51.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1166.014270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.014270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.014270 (E_RNA) where: Base-Base interactions energy: -738.474 where: short stacking energy: -352.671 Base-Backbone interact. energy: -2.797 local terms energy: -424.743362 where: bonds (distance) C4'-P energy: -102.800 bonds (distance) P-C4' energy: -95.047 flat angles C4'-P-C4' energy: -97.488 flat angles P-C4'-P energy: -65.160 tors. eta vs tors. theta energy: -64.247 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: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -556.992434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.992434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.992434 (E_RNA) where: Base-Base interactions energy: -206.183 where: short stacking energy: -160.240 Base-Backbone interact. energy: -2.206 local terms energy: -348.603474 where: bonds (distance) C4'-P energy: -98.214 bonds (distance) P-C4' energy: -110.631 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: 7.466 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: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2314.685049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.685049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.685049 (E_RNA) where: Base-Base interactions energy: -1648.907 where: short stacking energy: -667.215 Base-Backbone interact. energy: -1.307 local terms energy: -664.470975 where: bonds (distance) C4'-P energy: -117.364 bonds (distance) P-C4' energy: -121.266 flat angles C4'-P-C4' energy: -146.378 flat angles P-C4'-P energy: -98.722 tors. eta vs tors. theta energy: -180.740 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: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2282.415461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.415461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.415461 (E_RNA) where: Base-Base interactions energy: -1610.342 where: short stacking energy: -678.791 Base-Backbone interact. energy: -1.373 local terms energy: -670.700574 where: bonds (distance) C4'-P energy: -133.628 bonds (distance) P-C4' energy: -126.263 flat angles C4'-P-C4' energy: -150.254 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -178.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2142.417301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.417301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.417301 (E_RNA) where: Base-Base interactions energy: -1470.470 where: short stacking energy: -625.373 Base-Backbone interact. energy: 0.559 local terms energy: -672.506344 where: bonds (distance) C4'-P energy: -121.959 bonds (distance) P-C4' energy: -133.500 flat angles C4'-P-C4' energy: -144.418 flat angles P-C4'-P energy: -110.089 tors. eta vs tors. theta energy: -162.541 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: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2027.482142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.482142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.482142 (E_RNA) where: Base-Base interactions energy: -1415.482 where: short stacking energy: -570.356 Base-Backbone interact. energy: -3.613 local terms energy: -608.386989 where: bonds (distance) C4'-P energy: -128.044 bonds (distance) P-C4' energy: -123.316 flat angles C4'-P-C4' energy: -129.876 flat angles P-C4'-P energy: -83.908 tors. eta vs tors. theta energy: -143.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1908.034718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.034718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.034718 (E_RNA) where: Base-Base interactions energy: -1326.567 where: short stacking energy: -561.842 Base-Backbone interact. energy: 1.299 local terms energy: -582.765760 where: bonds (distance) C4'-P energy: -122.686 bonds (distance) P-C4' energy: -110.544 flat angles C4'-P-C4' energy: -120.739 flat angles P-C4'-P energy: -86.697 tors. eta vs tors. theta energy: -142.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1708.955414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.955414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.955414 (E_RNA) where: Base-Base interactions energy: -1158.921 where: short stacking energy: -497.873 Base-Backbone interact. energy: -2.891 local terms energy: -547.143750 where: bonds (distance) C4'-P energy: -117.461 bonds (distance) P-C4' energy: -102.159 flat angles C4'-P-C4' energy: -125.199 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -117.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1485.880580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.880580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.880580 (E_RNA) where: Base-Base interactions energy: -1021.299 where: short stacking energy: -436.334 Base-Backbone interact. energy: 0.985 local terms energy: -465.566302 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -121.381 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -73.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1197.218266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.218266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.218266 (E_RNA) where: Base-Base interactions energy: -764.230 where: short stacking energy: -333.156 Base-Backbone interact. energy: -1.488 local terms energy: -431.500667 where: bonds (distance) C4'-P energy: -90.203 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -118.468 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -53.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1140.533111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.533111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.533111 (E_RNA) where: Base-Base interactions energy: -715.165 where: short stacking energy: -342.979 Base-Backbone interact. energy: -0.830 local terms energy: -424.538325 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -105.229 flat angles C4'-P-C4' energy: -102.226 flat angles P-C4'-P energy: -67.576 tors. eta vs tors. theta energy: -52.457 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: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -738.927891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.927891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.927891 (E_RNA) where: Base-Base interactions energy: -383.196 where: short stacking energy: -192.693 Base-Backbone interact. energy: 5.327 local terms energy: -361.058777 where: bonds (distance) C4'-P energy: -90.569 bonds (distance) P-C4' energy: -117.703 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -53.855 tors. eta vs tors. theta energy: -1.210 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2333.230898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.230898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.230898 (E_RNA) where: Base-Base interactions energy: -1617.587 where: short stacking energy: -685.928 Base-Backbone interact. energy: -4.678 local terms energy: -710.964977 where: bonds (distance) C4'-P energy: -130.579 bonds (distance) P-C4' energy: -132.928 flat angles C4'-P-C4' energy: -156.165 flat angles P-C4'-P energy: -111.621 tors. eta vs tors. theta energy: -179.672 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: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2295.588298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.588298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.588298 (E_RNA) where: Base-Base interactions energy: -1617.354 where: short stacking energy: -678.012 Base-Backbone interact. energy: -0.449 local terms energy: -677.785918 where: bonds (distance) C4'-P energy: -127.982 bonds (distance) P-C4' energy: -121.349 flat angles C4'-P-C4' energy: -149.545 flat angles P-C4'-P energy: -99.438 tors. eta vs tors. theta energy: -179.470 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2126.761423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.761423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.761423 (E_RNA) where: Base-Base interactions energy: -1505.688 where: short stacking energy: -630.178 Base-Backbone interact. energy: -3.189 local terms energy: -617.884402 where: bonds (distance) C4'-P energy: -135.145 bonds (distance) P-C4' energy: -126.876 flat angles C4'-P-C4' energy: -140.427 flat angles P-C4'-P energy: -73.379 tors. eta vs tors. theta energy: -142.058 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: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2019.821972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.821972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.821972 (E_RNA) where: Base-Base interactions energy: -1391.233 where: short stacking energy: -569.773 Base-Backbone interact. energy: -1.793 local terms energy: -626.795827 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -123.479 flat angles C4'-P-C4' energy: -144.521 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -134.408 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: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1886.109785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.109785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.109785 (E_RNA) where: Base-Base interactions energy: -1319.228 where: short stacking energy: -531.686 Base-Backbone interact. energy: -2.347 local terms energy: -564.534926 where: bonds (distance) C4'-P energy: -102.465 bonds (distance) P-C4' energy: -123.132 flat angles C4'-P-C4' energy: -123.880 flat angles P-C4'-P energy: -80.133 tors. eta vs tors. theta energy: -134.925 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: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1711.198983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.198983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.198983 (E_RNA) where: Base-Base interactions energy: -1167.384 where: short stacking energy: -502.145 Base-Backbone interact. energy: -3.518 local terms energy: -540.297139 where: bonds (distance) C4'-P energy: -112.137 bonds (distance) P-C4' energy: -127.673 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -70.130 tors. eta vs tors. theta energy: -106.532 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: 109 Temperature: 1.200000 Total energy: -1494.777832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.777832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.777832 (E_RNA) where: Base-Base interactions energy: -996.583 where: short stacking energy: -415.954 Base-Backbone interact. energy: -1.230 local terms energy: -496.964584 where: bonds (distance) C4'-P energy: -124.544 bonds (distance) P-C4' energy: -100.630 flat angles C4'-P-C4' energy: -121.201 flat angles P-C4'-P energy: -56.446 tors. eta vs tors. theta energy: -94.144 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: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1283.686102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.686102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.686102 (E_RNA) where: Base-Base interactions energy: -814.960 where: short stacking energy: -406.758 Base-Backbone interact. energy: 4.720 local terms energy: -473.446585 where: bonds (distance) C4'-P energy: -118.527 bonds (distance) P-C4' energy: -110.985 flat angles C4'-P-C4' energy: -108.089 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -75.119 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: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1143.960084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.960084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.960084 (E_RNA) where: Base-Base interactions energy: -733.441 where: short stacking energy: -321.627 Base-Backbone interact. energy: 0.138 local terms energy: -410.657107 where: bonds (distance) C4'-P energy: -96.105 bonds (distance) P-C4' energy: -103.246 flat angles C4'-P-C4' energy: -113.186 flat angles P-C4'-P energy: -62.464 tors. eta vs tors. theta energy: -35.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -811.440161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.440161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.440161 (E_RNA) where: Base-Base interactions energy: -417.152 where: short stacking energy: -211.243 Base-Backbone interact. energy: -2.895 local terms energy: -391.393073 where: bonds (distance) C4'-P energy: -123.062 bonds (distance) P-C4' energy: -115.047 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -7.898 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: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2322.713796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.713796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.713796 (E_RNA) where: Base-Base interactions energy: -1650.217 where: short stacking energy: -658.544 Base-Backbone interact. energy: -3.893 local terms energy: -668.604619 where: bonds (distance) C4'-P energy: -134.013 bonds (distance) P-C4' energy: -130.388 flat angles C4'-P-C4' energy: -136.988 flat angles P-C4'-P energy: -87.775 tors. eta vs tors. theta energy: -179.442 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: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2265.258827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.258827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.258827 (E_RNA) where: Base-Base interactions energy: -1600.164 where: short stacking energy: -688.954 Base-Backbone interact. energy: -2.798 local terms energy: -662.296454 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -113.022 flat angles C4'-P-C4' energy: -149.460 flat angles P-C4'-P energy: -100.254 tors. eta vs tors. theta energy: -179.380 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: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2150.797096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.797096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.797096 (E_RNA) where: Base-Base interactions energy: -1525.717 where: short stacking energy: -656.519 Base-Backbone interact. energy: -0.321 local terms energy: -624.759048 where: bonds (distance) C4'-P energy: -125.880 bonds (distance) P-C4' energy: -110.492 flat angles C4'-P-C4' energy: -131.716 flat angles P-C4'-P energy: -95.419 tors. eta vs tors. theta energy: -161.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2049.074634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.074634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.074634 (E_RNA) where: Base-Base interactions energy: -1431.672 where: short stacking energy: -593.502 Base-Backbone interact. energy: -4.711 local terms energy: -612.692350 where: bonds (distance) C4'-P energy: -117.580 bonds (distance) P-C4' energy: -137.888 flat angles C4'-P-C4' energy: -130.316 flat angles P-C4'-P energy: -83.554 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: 5, replica: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1826.211316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.211316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.211316 (E_RNA) where: Base-Base interactions energy: -1247.604 where: short stacking energy: -554.580 Base-Backbone interact. energy: -3.394 local terms energy: -575.213109 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -118.647 flat angles C4'-P-C4' energy: -137.645 flat angles P-C4'-P energy: -77.725 tors. eta vs tors. theta energy: -143.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1726.507619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.507619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.507619 (E_RNA) where: Base-Base interactions energy: -1153.082 where: short stacking energy: -512.831 Base-Backbone interact. energy: -3.603 local terms energy: -569.823151 where: bonds (distance) C4'-P energy: -101.725 bonds (distance) P-C4' energy: -113.631 flat angles C4'-P-C4' energy: -139.139 flat angles P-C4'-P energy: -86.180 tors. eta vs tors. theta energy: -129.148 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: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1474.137938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.137938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.137938 (E_RNA) where: Base-Base interactions energy: -968.159 where: short stacking energy: -424.374 Base-Backbone interact. energy: 2.960 local terms energy: -508.938405 where: bonds (distance) C4'-P energy: -117.794 bonds (distance) P-C4' energy: -123.768 flat angles C4'-P-C4' energy: -109.142 flat angles P-C4'-P energy: -71.370 tors. eta vs tors. theta energy: -86.864 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: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1264.408775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.408775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.408775 (E_RNA) where: Base-Base interactions energy: -825.898 where: short stacking energy: -364.664 Base-Backbone interact. energy: 11.216 local terms energy: -449.727102 where: bonds (distance) C4'-P energy: -96.142 bonds (distance) P-C4' energy: -117.687 flat angles C4'-P-C4' energy: -100.270 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -71.033 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: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1158.749312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.749312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.749312 (E_RNA) where: Base-Base interactions energy: -740.087 where: short stacking energy: -350.824 Base-Backbone interact. energy: -0.100 local terms energy: -418.562356 where: bonds (distance) C4'-P energy: -85.289 bonds (distance) P-C4' energy: -103.606 flat angles C4'-P-C4' energy: -112.966 flat angles P-C4'-P energy: -68.031 tors. eta vs tors. theta energy: -48.671 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: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -683.577440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.577440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.577440 (E_RNA) where: Base-Base interactions energy: -359.781 where: short stacking energy: -237.731 Base-Backbone interact. energy: -1.583 local terms energy: -322.213438 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -74.302 flat angles C4'-P-C4' energy: -99.979 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2321.106881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.106881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.106881 (E_RNA) where: Base-Base interactions energy: -1629.334 where: short stacking energy: -688.681 Base-Backbone interact. energy: -5.232 local terms energy: -686.541745 where: bonds (distance) C4'-P energy: -132.872 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -141.975 flat angles P-C4'-P energy: -97.074 tors. eta vs tors. theta energy: -181.790 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: 2, replica: 9 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2254.435547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.435547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.435547 (E_RNA) where: Base-Base interactions energy: -1588.899 where: short stacking energy: -651.357 Base-Backbone interact. energy: -3.257 local terms energy: -662.280083 where: bonds (distance) C4'-P energy: -128.909 bonds (distance) P-C4' energy: -124.995 flat angles C4'-P-C4' energy: -137.383 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -186.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2153.463271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.463271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.463271 (E_RNA) where: Base-Base interactions energy: -1481.450 where: short stacking energy: -633.121 Base-Backbone interact. energy: -0.474 local terms energy: -671.539108 where: bonds (distance) C4'-P energy: -126.445 bonds (distance) P-C4' energy: -131.604 flat angles C4'-P-C4' energy: -141.242 flat angles P-C4'-P energy: -98.944 tors. eta vs tors. theta energy: -173.305 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: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2020.446311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.446311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.446311 (E_RNA) where: Base-Base interactions energy: -1428.248 where: short stacking energy: -580.594 Base-Backbone interact. energy: -2.510 local terms energy: -589.688509 where: bonds (distance) C4'-P energy: -111.132 bonds (distance) P-C4' energy: -121.972 flat angles C4'-P-C4' energy: -128.833 flat angles P-C4'-P energy: -85.689 tors. eta vs tors. theta energy: -142.062 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: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1861.365529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.365529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.365529 (E_RNA) where: Base-Base interactions energy: -1298.157 where: short stacking energy: -523.888 Base-Backbone interact. energy: -4.870 local terms energy: -558.339249 where: bonds (distance) C4'-P energy: -119.949 bonds (distance) P-C4' energy: -106.913 flat angles C4'-P-C4' energy: -117.807 flat angles P-C4'-P energy: -76.627 tors. eta vs tors. theta energy: -137.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1709.403100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.403100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.403100 (E_RNA) where: Base-Base interactions energy: -1163.330 where: short stacking energy: -509.175 Base-Backbone interact. energy: 1.392 local terms energy: -547.464805 where: bonds (distance) C4'-P energy: -125.758 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -113.908 flat angles P-C4'-P energy: -77.238 tors. eta vs tors. theta energy: -119.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1414.701900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.701900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.701900 (E_RNA) where: Base-Base interactions energy: -922.979 where: short stacking energy: -418.020 Base-Backbone interact. energy: 4.757 local terms energy: -496.479175 where: bonds (distance) C4'-P energy: -100.285 bonds (distance) P-C4' energy: -123.391 flat angles C4'-P-C4' energy: -116.998 flat angles P-C4'-P energy: -83.858 tors. eta vs tors. theta energy: -71.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1231.513889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.513889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.513889 (E_RNA) where: Base-Base interactions energy: -786.003 where: short stacking energy: -374.313 Base-Backbone interact. energy: -3.473 local terms energy: -442.038017 where: bonds (distance) C4'-P energy: -100.329 bonds (distance) P-C4' energy: -102.389 flat angles C4'-P-C4' energy: -117.477 flat angles P-C4'-P energy: -62.991 tors. eta vs tors. theta energy: -58.852 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: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1061.864992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.864992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.864992 (E_RNA) where: Base-Base interactions energy: -632.206 where: short stacking energy: -304.835 Base-Backbone interact. energy: 5.853 local terms energy: -435.511762 where: bonds (distance) C4'-P energy: -115.717 bonds (distance) P-C4' energy: -111.110 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -67.010 tors. eta vs tors. theta energy: -39.667 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: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -698.457817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.457817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.457817 (E_RNA) where: Base-Base interactions energy: -334.928 where: short stacking energy: -203.745 Base-Backbone interact. energy: 4.867 local terms energy: -368.396659 where: bonds (distance) C4'-P energy: -121.024 bonds (distance) P-C4' energy: -98.855 flat angles C4'-P-C4' energy: -97.707 flat angles P-C4'-P energy: -43.244 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2324.066422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.066422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.066422 (E_RNA) where: Base-Base interactions energy: -1626.436 where: short stacking energy: -669.170 Base-Backbone interact. energy: -2.136 local terms energy: -695.493959 where: bonds (distance) C4'-P energy: -121.616 bonds (distance) P-C4' energy: -133.038 flat angles C4'-P-C4' energy: -156.951 flat angles P-C4'-P energy: -95.770 tors. eta vs tors. theta energy: -188.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2260.461590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.461590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.461590 (E_RNA) where: Base-Base interactions energy: -1601.773 where: short stacking energy: -671.156 Base-Backbone interact. energy: 0.414 local terms energy: -659.102600 where: bonds (distance) C4'-P energy: -104.854 bonds (distance) P-C4' energy: -118.033 flat angles C4'-P-C4' energy: -147.775 flat angles P-C4'-P energy: -93.514 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: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2152.574144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.574144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.574144 (E_RNA) where: Base-Base interactions energy: -1512.601 where: short stacking energy: -640.503 Base-Backbone interact. energy: -2.445 local terms energy: -637.527602 where: bonds (distance) C4'-P energy: -131.100 bonds (distance) P-C4' energy: -116.914 flat angles C4'-P-C4' energy: -148.160 flat angles P-C4'-P energy: -78.579 tors. eta vs tors. theta energy: -162.775 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: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2019.147345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.147345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.147345 (E_RNA) where: Base-Base interactions energy: -1436.007 where: short stacking energy: -579.344 Base-Backbone interact. energy: 0.759 local terms energy: -583.899367 where: bonds (distance) C4'-P energy: -99.507 bonds (distance) P-C4' energy: -120.181 flat angles C4'-P-C4' energy: -134.633 flat angles P-C4'-P energy: -85.483 tors. eta vs tors. theta energy: -144.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1871.032699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.032699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.032699 (E_RNA) where: Base-Base interactions energy: -1277.025 where: short stacking energy: -537.156 Base-Backbone interact. energy: -2.905 local terms energy: -591.102326 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -107.537 flat angles P-C4'-P energy: -91.283 tors. eta vs tors. theta energy: -137.462 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: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1754.556745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.556745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.556745 (E_RNA) where: Base-Base interactions energy: -1193.988 where: short stacking energy: -505.961 Base-Backbone interact. energy: -5.936 local terms energy: -554.633231 where: bonds (distance) C4'-P energy: -116.118 bonds (distance) P-C4' energy: -106.287 flat angles C4'-P-C4' energy: -127.259 flat angles P-C4'-P energy: -89.366 tors. eta vs tors. theta energy: -115.603 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: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1351.075262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.075262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.075262 (E_RNA) where: Base-Base interactions energy: -851.200 where: short stacking energy: -387.318 Base-Backbone interact. energy: 2.598 local terms energy: -502.473434 where: bonds (distance) C4'-P energy: -128.008 bonds (distance) P-C4' energy: -125.201 flat angles C4'-P-C4' energy: -113.972 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: -79.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1254.116904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.116904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.116904 (E_RNA) where: Base-Base interactions energy: -798.885 where: short stacking energy: -346.266 Base-Backbone interact. energy: -1.347 local terms energy: -453.884378 where: bonds (distance) C4'-P energy: -99.392 bonds (distance) P-C4' energy: -109.257 flat angles C4'-P-C4' energy: -109.636 flat angles P-C4'-P energy: -74.135 tors. eta vs tors. theta energy: -61.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1026.117303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.117303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.117303 (E_RNA) where: Base-Base interactions energy: -623.950 where: short stacking energy: -300.461 Base-Backbone interact. energy: -2.504 local terms energy: -399.663089 where: bonds (distance) C4'-P energy: -88.752 bonds (distance) P-C4' energy: -114.728 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -47.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -707.774297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.774297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.774297 (E_RNA) where: Base-Base interactions energy: -343.726 where: short stacking energy: -218.493 Base-Backbone interact. energy: -3.670 local terms energy: -360.378834 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -108.854 flat angles C4'-P-C4' energy: -96.817 flat angles P-C4'-P energy: -44.214 tors. eta vs tors. theta energy: -12.406 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: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2269.598080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.598080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.598080 (E_RNA) where: Base-Base interactions energy: -1594.385 where: short stacking energy: -679.679 Base-Backbone interact. energy: -1.674 local terms energy: -673.538888 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -137.554 flat angles C4'-P-C4' energy: -152.209 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -181.502 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: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2224.183399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.183399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.183399 (E_RNA) where: Base-Base interactions energy: -1584.796 where: short stacking energy: -641.023 Base-Backbone interact. energy: -3.737 local terms energy: -635.649975 where: bonds (distance) C4'-P energy: -121.020 bonds (distance) P-C4' energy: -117.420 flat angles C4'-P-C4' energy: -137.697 flat angles P-C4'-P energy: -90.555 tors. eta vs tors. theta energy: -168.957 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: 113 Temperature: 1.000000 Total energy: -2150.568080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.568080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.568080 (E_RNA) where: Base-Base interactions energy: -1504.103 where: short stacking energy: -611.544 Base-Backbone interact. energy: -1.858 local terms energy: -644.606754 where: bonds (distance) C4'-P energy: -128.792 bonds (distance) P-C4' energy: -123.988 flat angles C4'-P-C4' energy: -136.098 flat angles P-C4'-P energy: -96.304 tors. eta vs tors. theta energy: -159.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1996.625836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.625836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.625836 (E_RNA) where: Base-Base interactions energy: -1408.639 where: short stacking energy: -570.682 Base-Backbone interact. energy: -3.952 local terms energy: -584.034054 where: bonds (distance) C4'-P energy: -101.124 bonds (distance) P-C4' energy: -129.745 flat angles C4'-P-C4' energy: -144.409 flat angles P-C4'-P energy: -77.722 tors. eta vs tors. theta energy: -131.034 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: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1885.074321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.074321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.074321 (E_RNA) where: Base-Base interactions energy: -1284.679 where: short stacking energy: -519.882 Base-Backbone interact. energy: -1.464 local terms energy: -598.931365 where: bonds (distance) C4'-P energy: -120.827 bonds (distance) P-C4' energy: -130.270 flat angles C4'-P-C4' energy: -132.831 flat angles P-C4'-P energy: -81.136 tors. eta vs tors. theta energy: -133.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1814.253963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.253963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.253963 (E_RNA) where: Base-Base interactions energy: -1259.724 where: short stacking energy: -560.512 Base-Backbone interact. energy: -0.572 local terms energy: -553.958212 where: bonds (distance) C4'-P energy: -99.838 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -134.271 flat angles P-C4'-P energy: -69.085 tors. eta vs tors. theta energy: -133.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1349.392818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.392818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.392818 (E_RNA) where: Base-Base interactions energy: -875.919 where: short stacking energy: -389.568 Base-Backbone interact. energy: -1.382 local terms energy: -472.092570 where: bonds (distance) C4'-P energy: -99.983 bonds (distance) P-C4' energy: -118.546 flat angles C4'-P-C4' energy: -121.303 flat angles P-C4'-P energy: -77.495 tors. eta vs tors. theta energy: -54.766 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: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1249.536809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.536809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.536809 (E_RNA) where: Base-Base interactions energy: -779.318 where: short stacking energy: -372.345 Base-Backbone interact. energy: 0.016 local terms energy: -470.235070 where: bonds (distance) C4'-P energy: -106.843 bonds (distance) P-C4' energy: -122.001 flat angles C4'-P-C4' energy: -102.165 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -77.151 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: 9, replica: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1077.493638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.493638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.493638 (E_RNA) where: Base-Base interactions energy: -643.983 where: short stacking energy: -340.390 Base-Backbone interact. energy: -0.570 local terms energy: -432.940477 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -58.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -745.637286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.637286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.637286 (E_RNA) where: Base-Base interactions energy: -370.490 where: short stacking energy: -187.783 Base-Backbone interact. energy: -0.251 local terms energy: -374.896407 where: bonds (distance) C4'-P energy: -103.821 bonds (distance) P-C4' energy: -124.643 flat angles C4'-P-C4' energy: -94.300 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: -2.622 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: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2315.045844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.045844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.045844 (E_RNA) where: Base-Base interactions energy: -1652.918 where: short stacking energy: -680.961 Base-Backbone interact. energy: -3.936 local terms energy: -658.192358 where: bonds (distance) C4'-P energy: -123.554 bonds (distance) P-C4' energy: -137.120 flat angles C4'-P-C4' energy: -131.224 flat angles P-C4'-P energy: -79.339 tors. eta vs tors. theta energy: -186.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2256.240064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.240064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.240064 (E_RNA) where: Base-Base interactions energy: -1560.161 where: short stacking energy: -666.433 Base-Backbone interact. energy: -2.523 local terms energy: -693.556415 where: bonds (distance) C4'-P energy: -121.172 bonds (distance) P-C4' energy: -133.358 flat angles C4'-P-C4' energy: -153.908 flat angles P-C4'-P energy: -98.087 tors. eta vs tors. theta energy: -187.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2050.969977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.969977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.969977 (E_RNA) where: Base-Base interactions energy: -1448.444 where: short stacking energy: -600.890 Base-Backbone interact. energy: -5.011 local terms energy: -597.514437 where: bonds (distance) C4'-P energy: -121.888 bonds (distance) P-C4' energy: -120.025 flat angles C4'-P-C4' energy: -125.608 flat angles P-C4'-P energy: -91.225 tors. eta vs tors. theta energy: -138.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2080.873712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.873712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.873712 (E_RNA) where: Base-Base interactions energy: -1461.863 where: short stacking energy: -623.689 Base-Backbone interact. energy: 2.787 local terms energy: -621.797189 where: bonds (distance) C4'-P energy: -116.902 bonds (distance) P-C4' energy: -111.022 flat angles C4'-P-C4' energy: -140.553 flat angles P-C4'-P energy: -95.975 tors. eta vs tors. theta energy: -157.346 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: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1900.849462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.849462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.849462 (E_RNA) where: Base-Base interactions energy: -1314.472 where: short stacking energy: -552.103 Base-Backbone interact. energy: -2.253 local terms energy: -584.124765 where: bonds (distance) C4'-P energy: -109.089 bonds (distance) P-C4' energy: -106.777 flat angles C4'-P-C4' energy: -133.598 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -144.108 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: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1841.020224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.020224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.020224 (E_RNA) where: Base-Base interactions energy: -1316.552 where: short stacking energy: -545.840 Base-Backbone interact. energy: 0.663 local terms energy: -525.131784 where: bonds (distance) C4'-P energy: -100.632 bonds (distance) P-C4' energy: -112.099 flat angles C4'-P-C4' energy: -101.737 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -135.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1423.447338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.447338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.447338 (E_RNA) where: Base-Base interactions energy: -975.167 where: short stacking energy: -404.269 Base-Backbone interact. energy: 0.196 local terms energy: -448.476188 where: bonds (distance) C4'-P energy: -98.133 bonds (distance) P-C4' energy: -99.294 flat angles C4'-P-C4' energy: -111.910 flat angles P-C4'-P energy: -70.240 tors. eta vs tors. theta energy: -68.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1360.610164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.610164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.610164 (E_RNA) where: Base-Base interactions energy: -896.919 where: short stacking energy: -394.103 Base-Backbone interact. energy: 4.658 local terms energy: -468.349042 where: bonds (distance) C4'-P energy: -107.966 bonds (distance) P-C4' energy: -110.043 flat angles C4'-P-C4' energy: -109.776 flat angles P-C4'-P energy: -70.909 tors. eta vs tors. theta energy: -69.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1048.318221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.318221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.318221 (E_RNA) where: Base-Base interactions energy: -651.961 where: short stacking energy: -326.067 Base-Backbone interact. energy: 0.687 local terms energy: -397.044065 where: bonds (distance) C4'-P energy: -91.947 bonds (distance) P-C4' energy: -98.072 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -66.138 tors. eta vs tors. theta energy: -40.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -711.713115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.713115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.713115 (E_RNA) where: Base-Base interactions energy: -354.748 where: short stacking energy: -196.874 Base-Backbone interact. energy: 0.212 local terms energy: -357.176883 where: bonds (distance) C4'-P energy: -116.978 bonds (distance) P-C4' energy: -98.321 flat angles C4'-P-C4' energy: -100.937 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2291.025057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.025057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.025057 (E_RNA) where: Base-Base interactions energy: -1573.426 where: short stacking energy: -668.295 Base-Backbone interact. energy: -4.843 local terms energy: -712.756655 where: bonds (distance) C4'-P energy: -147.622 bonds (distance) P-C4' energy: -131.895 flat angles C4'-P-C4' energy: -154.813 flat angles P-C4'-P energy: -102.826 tors. eta vs tors. theta energy: -175.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2261.315155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.315155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.315155 (E_RNA) where: Base-Base interactions energy: -1583.711 where: short stacking energy: -678.798 Base-Backbone interact. energy: -5.130 local terms energy: -672.473789 where: bonds (distance) C4'-P energy: -126.790 bonds (distance) P-C4' energy: -120.169 flat angles C4'-P-C4' energy: -141.020 flat angles P-C4'-P energy: -100.244 tors. eta vs tors. theta energy: -184.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2048.429089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.429089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.429089 (E_RNA) where: Base-Base interactions energy: -1400.625 where: short stacking energy: -578.404 Base-Backbone interact. energy: -3.305 local terms energy: -644.499319 where: bonds (distance) C4'-P energy: -126.724 bonds (distance) P-C4' energy: -134.222 flat angles C4'-P-C4' energy: -151.087 flat angles P-C4'-P energy: -92.594 tors. eta vs tors. theta energy: -139.872 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: 4, replica: 5 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2112.640635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.640635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.640635 (E_RNA) where: Base-Base interactions energy: -1497.769 where: short stacking energy: -621.079 Base-Backbone interact. energy: -3.256 local terms energy: -611.616409 where: bonds (distance) C4'-P energy: -113.462 bonds (distance) P-C4' energy: -118.419 flat angles C4'-P-C4' energy: -133.527 flat angles P-C4'-P energy: -87.418 tors. eta vs tors. theta energy: -158.791 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: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1894.667667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.667667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.667667 (E_RNA) where: Base-Base interactions energy: -1297.851 where: short stacking energy: -536.097 Base-Backbone interact. energy: -2.264 local terms energy: -594.552785 where: bonds (distance) C4'-P energy: -117.848 bonds (distance) P-C4' energy: -121.424 flat angles C4'-P-C4' energy: -133.809 flat angles P-C4'-P energy: -82.493 tors. eta vs tors. theta energy: -138.978 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: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1840.766221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.766221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.766221 (E_RNA) where: Base-Base interactions energy: -1246.646 where: short stacking energy: -530.591 Base-Backbone interact. energy: -3.714 local terms energy: -590.405627 where: bonds (distance) C4'-P energy: -130.404 bonds (distance) P-C4' energy: -110.100 flat angles C4'-P-C4' energy: -128.954 flat angles P-C4'-P energy: -83.264 tors. eta vs tors. theta energy: -137.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1471.125264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.125264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.125264 (E_RNA) where: Base-Base interactions energy: -999.358 where: short stacking energy: -429.369 Base-Backbone interact. energy: 2.461 local terms energy: -474.228415 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -112.071 flat angles C4'-P-C4' energy: -96.184 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -85.320 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: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1318.477693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.477693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.477693 (E_RNA) where: Base-Base interactions energy: -821.327 where: short stacking energy: -378.880 Base-Backbone interact. energy: -2.138 local terms energy: -495.012615 where: bonds (distance) C4'-P energy: -93.851 bonds (distance) P-C4' energy: -114.546 flat angles C4'-P-C4' energy: -124.493 flat angles P-C4'-P energy: -84.143 tors. eta vs tors. theta energy: -77.980 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: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1064.720423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.720423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.720423 (E_RNA) where: Base-Base interactions energy: -663.148 where: short stacking energy: -332.373 Base-Backbone interact. energy: 0.576 local terms energy: -402.147719 where: bonds (distance) C4'-P energy: -89.901 bonds (distance) P-C4' energy: -90.087 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -77.538 tors. eta vs tors. theta energy: -43.438 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: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -788.484522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.484522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.484522 (E_RNA) where: Base-Base interactions energy: -433.045 where: short stacking energy: -260.324 Base-Backbone interact. energy: -0.412 local terms energy: -355.027701 where: bonds (distance) C4'-P energy: -100.631 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -93.257 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -9.816 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: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2291.580915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.580915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.580915 (E_RNA) where: Base-Base interactions energy: -1622.465 where: short stacking energy: -645.371 Base-Backbone interact. energy: -5.024 local terms energy: -664.092549 where: bonds (distance) C4'-P energy: -130.641 bonds (distance) P-C4' energy: -128.744 flat angles C4'-P-C4' energy: -139.469 flat angles P-C4'-P energy: -87.261 tors. eta vs tors. theta energy: -177.977 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: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2241.753728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.753728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.753728 (E_RNA) where: Base-Base interactions energy: -1572.537 where: short stacking energy: -654.828 Base-Backbone interact. energy: -3.849 local terms energy: -665.367738 where: bonds (distance) C4'-P energy: -136.511 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -135.013 flat angles P-C4'-P energy: -78.640 tors. eta vs tors. theta energy: -183.839 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: 3, replica: 5 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2170.252587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.252587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.252587 (E_RNA) where: Base-Base interactions energy: -1521.645 where: short stacking energy: -625.982 Base-Backbone interact. energy: -3.420 local terms energy: -645.187603 where: bonds (distance) C4'-P energy: -117.385 bonds (distance) P-C4' energy: -126.964 flat angles C4'-P-C4' energy: -142.380 flat angles P-C4'-P energy: -94.525 tors. eta vs tors. theta energy: -163.934 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: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1997.023956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.023956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.023956 (E_RNA) where: Base-Base interactions energy: -1399.466 where: short stacking energy: -581.185 Base-Backbone interact. energy: -1.771 local terms energy: -595.786820 where: bonds (distance) C4'-P energy: -110.246 bonds (distance) P-C4' energy: -120.709 flat angles C4'-P-C4' energy: -141.749 flat angles P-C4'-P energy: -88.756 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: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1880.460046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.460046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.460046 (E_RNA) where: Base-Base interactions energy: -1319.351 where: short stacking energy: -522.408 Base-Backbone interact. energy: -2.211 local terms energy: -558.897580 where: bonds (distance) C4'-P energy: -107.533 bonds (distance) P-C4' energy: -117.465 flat angles C4'-P-C4' energy: -130.783 flat angles P-C4'-P energy: -70.387 tors. eta vs tors. theta energy: -132.730 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: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1888.523484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.523484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.523484 (E_RNA) where: Base-Base interactions energy: -1274.743 where: short stacking energy: -567.904 Base-Backbone interact. energy: -1.592 local terms energy: -612.187853 where: bonds (distance) C4'-P energy: -124.525 bonds (distance) P-C4' energy: -131.633 flat angles C4'-P-C4' energy: -128.471 flat angles P-C4'-P energy: -82.315 tors. eta vs tors. theta energy: -145.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1437.986071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.986071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.986071 (E_RNA) where: Base-Base interactions energy: -987.309 where: short stacking energy: -432.359 Base-Backbone interact. energy: -0.254 local terms energy: -450.423318 where: bonds (distance) C4'-P energy: -88.534 bonds (distance) P-C4' energy: -97.300 flat angles C4'-P-C4' energy: -129.072 flat angles P-C4'-P energy: -60.500 tors. eta vs tors. theta energy: -75.017 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: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1231.835151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.835151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.835151 (E_RNA) where: Base-Base interactions energy: -753.754 where: short stacking energy: -335.156 Base-Backbone interact. energy: -1.893 local terms energy: -476.188098 where: bonds (distance) C4'-P energy: -111.357 bonds (distance) P-C4' energy: -121.756 flat angles C4'-P-C4' energy: -107.394 flat angles P-C4'-P energy: -69.008 tors. eta vs tors. theta energy: -66.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1091.279703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.279703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.279703 (E_RNA) where: Base-Base interactions energy: -695.872 where: short stacking energy: -330.000 Base-Backbone interact. energy: 3.554 local terms energy: -398.961153 where: bonds (distance) C4'-P energy: -82.463 bonds (distance) P-C4' energy: -99.859 flat angles C4'-P-C4' energy: -102.080 flat angles P-C4'-P energy: -66.885 tors. eta vs tors. theta energy: -47.674 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: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -729.629223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.629223 (E_RNA) where: Base-Base interactions energy: -363.214 where: short stacking energy: -209.944 Base-Backbone interact. energy: 5.122 local terms energy: -371.537895 where: bonds (distance) C4'-P energy: -102.036 bonds (distance) P-C4' energy: -110.882 flat angles C4'-P-C4' energy: -90.472 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -9.328 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: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2253.799041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.799041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.799041 (E_RNA) where: Base-Base interactions energy: -1562.138 where: short stacking energy: -620.866 Base-Backbone interact. energy: -3.867 local terms energy: -687.793331 where: bonds (distance) C4'-P energy: -121.768 bonds (distance) P-C4' energy: -143.154 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -105.398 tors. eta vs tors. theta energy: -171.359 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: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2262.617112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.617112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.617112 (E_RNA) where: Base-Base interactions energy: -1583.967 where: short stacking energy: -669.191 Base-Backbone interact. energy: -3.158 local terms energy: -675.491703 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -132.483 flat angles C4'-P-C4' energy: -136.828 flat angles P-C4'-P energy: -89.656 tors. eta vs tors. theta energy: -185.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2124.029440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.029440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.029440 (E_RNA) where: Base-Base interactions energy: -1470.975 where: short stacking energy: -620.574 Base-Backbone interact. energy: -2.723 local terms energy: -650.331423 where: bonds (distance) C4'-P energy: -131.537 bonds (distance) P-C4' energy: -120.740 flat angles C4'-P-C4' energy: -141.758 flat angles P-C4'-P energy: -92.748 tors. eta vs tors. theta energy: -163.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2021.949886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.949886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.949886 (E_RNA) where: Base-Base interactions energy: -1380.095 where: short stacking energy: -571.472 Base-Backbone interact. energy: 0.095 local terms energy: -641.950150 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -133.102 flat angles C4'-P-C4' energy: -138.614 flat angles P-C4'-P energy: -96.607 tors. eta vs tors. theta energy: -161.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1907.262381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.262381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.262381 (E_RNA) where: Base-Base interactions energy: -1325.785 where: short stacking energy: -586.283 Base-Backbone interact. energy: -4.849 local terms energy: -576.628913 where: bonds (distance) C4'-P energy: -103.204 bonds (distance) P-C4' energy: -109.317 flat angles C4'-P-C4' energy: -138.682 flat angles P-C4'-P energy: -70.008 tors. eta vs tors. theta energy: -155.417 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: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1873.134651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.134651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.134651 (E_RNA) where: Base-Base interactions energy: -1258.467 where: short stacking energy: -533.744 Base-Backbone interact. energy: -3.760 local terms energy: -610.907549 where: bonds (distance) C4'-P energy: -122.764 bonds (distance) P-C4' energy: -121.676 flat angles C4'-P-C4' energy: -136.691 flat angles P-C4'-P energy: -86.922 tors. eta vs tors. theta energy: -142.855 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: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1409.405662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.405662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.405662 (E_RNA) where: Base-Base interactions energy: -919.161 where: short stacking energy: -407.923 Base-Backbone interact. energy: -0.921 local terms energy: -489.323572 where: bonds (distance) C4'-P energy: -114.603 bonds (distance) P-C4' energy: -115.343 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -59.831 tors. eta vs tors. theta energy: -89.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1257.162325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.162325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.162325 (E_RNA) where: Base-Base interactions energy: -788.223 where: short stacking energy: -372.536 Base-Backbone interact. energy: -2.624 local terms energy: -466.315456 where: bonds (distance) C4'-P energy: -116.632 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -116.512 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -54.395 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: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1022.582527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.582527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.582527 (E_RNA) where: Base-Base interactions energy: -617.658 where: short stacking energy: -275.924 Base-Backbone interact. energy: 3.250 local terms energy: -408.174829 where: bonds (distance) C4'-P energy: -109.273 bonds (distance) P-C4' energy: -108.075 flat angles C4'-P-C4' energy: -98.111 flat angles P-C4'-P energy: -53.756 tors. eta vs tors. theta energy: -38.959 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -733.433325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.433325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.433325 (E_RNA) where: Base-Base interactions energy: -393.532 where: short stacking energy: -213.801 Base-Backbone interact. energy: 4.495 local terms energy: -344.395915 where: bonds (distance) C4'-P energy: -85.926 bonds (distance) P-C4' energy: -114.600 flat angles C4'-P-C4' energy: -94.367 flat angles P-C4'-P energy: -35.380 tors. eta vs tors. theta energy: -14.123 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2270.531847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.531847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.531847 (E_RNA) where: Base-Base interactions energy: -1615.298 where: short stacking energy: -653.103 Base-Backbone interact. energy: -2.525 local terms energy: -652.709226 where: bonds (distance) C4'-P energy: -118.866 bonds (distance) P-C4' energy: -118.982 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -93.645 tors. eta vs tors. theta energy: -175.856 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: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2289.469435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.469435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.469435 (E_RNA) where: Base-Base interactions energy: -1586.446 where: short stacking energy: -658.674 Base-Backbone interact. energy: -2.439 local terms energy: -700.584753 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -138.289 flat angles C4'-P-C4' energy: -157.858 flat angles P-C4'-P energy: -98.573 tors. eta vs tors. theta energy: -187.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2139.166421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.166421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.166421 (E_RNA) where: Base-Base interactions energy: -1502.561 where: short stacking energy: -618.884 Base-Backbone interact. energy: -2.800 local terms energy: -633.804781 where: bonds (distance) C4'-P energy: -128.672 bonds (distance) P-C4' energy: -109.946 flat angles C4'-P-C4' energy: -150.627 flat angles P-C4'-P energy: -84.964 tors. eta vs tors. theta energy: -159.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1997.451179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.451179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.451179 (E_RNA) where: Base-Base interactions energy: -1387.543 where: short stacking energy: -594.143 Base-Backbone interact. energy: 0.015 local terms energy: -609.922960 where: bonds (distance) C4'-P energy: -130.030 bonds (distance) P-C4' energy: -118.726 flat angles C4'-P-C4' energy: -141.363 flat angles P-C4'-P energy: -75.899 tors. eta vs tors. theta energy: -143.905 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: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1907.331404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.331404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.331404 (E_RNA) where: Base-Base interactions energy: -1311.510 where: short stacking energy: -581.467 Base-Backbone interact. energy: -2.591 local terms energy: -593.229858 where: bonds (distance) C4'-P energy: -111.832 bonds (distance) P-C4' energy: -129.408 flat angles C4'-P-C4' energy: -132.275 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -141.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1813.409186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.409186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.409186 (E_RNA) where: Base-Base interactions energy: -1222.933 where: short stacking energy: -522.571 Base-Backbone interact. energy: -3.147 local terms energy: -587.329138 where: bonds (distance) C4'-P energy: -123.779 bonds (distance) P-C4' energy: -131.509 flat angles C4'-P-C4' energy: -106.819 flat angles P-C4'-P energy: -91.360 tors. eta vs tors. theta energy: -133.861 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: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1392.757696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.757696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.757696 (E_RNA) where: Base-Base interactions energy: -909.472 where: short stacking energy: -414.264 Base-Backbone interact. energy: -1.193 local terms energy: -482.093041 where: bonds (distance) C4'-P energy: -112.473 bonds (distance) P-C4' energy: -106.140 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -69.408 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: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1266.275898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.275898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.275898 (E_RNA) where: Base-Base interactions energy: -793.824 where: short stacking energy: -395.317 Base-Backbone interact. energy: -1.981 local terms energy: -470.470887 where: bonds (distance) C4'-P energy: -104.194 bonds (distance) P-C4' energy: -111.368 flat angles C4'-P-C4' energy: -110.343 flat angles P-C4'-P energy: -71.565 tors. eta vs tors. theta energy: -73.001 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: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1123.011439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.011439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.011439 (E_RNA) where: Base-Base interactions energy: -703.525 where: short stacking energy: -354.929 Base-Backbone interact. energy: 2.881 local terms energy: -422.368191 where: bonds (distance) C4'-P energy: -96.976 bonds (distance) P-C4' energy: -96.842 flat angles C4'-P-C4' energy: -115.729 flat angles P-C4'-P energy: -42.440 tors. eta vs tors. theta energy: -70.381 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: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -771.342048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.342048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.342048 (E_RNA) where: Base-Base interactions energy: -386.562 where: short stacking energy: -225.493 Base-Backbone interact. energy: -2.536 local terms energy: -382.244014 where: bonds (distance) C4'-P energy: -96.387 bonds (distance) P-C4' energy: -106.441 flat angles C4'-P-C4' energy: -97.017 flat angles P-C4'-P energy: -73.779 tors. eta vs tors. theta energy: -8.619 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: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2272.933778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.933778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.933778 (E_RNA) where: Base-Base interactions energy: -1600.322 where: short stacking energy: -646.500 Base-Backbone interact. energy: -5.073 local terms energy: -667.539109 where: bonds (distance) C4'-P energy: -126.154 bonds (distance) P-C4' energy: -123.959 flat angles C4'-P-C4' energy: -149.202 flat angles P-C4'-P energy: -97.642 tors. eta vs tors. theta energy: -170.581 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: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2260.962255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.962255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.962255 (E_RNA) where: Base-Base interactions energy: -1597.348 where: short stacking energy: -682.626 Base-Backbone interact. energy: -3.296 local terms energy: -660.318961 where: bonds (distance) C4'-P energy: -123.534 bonds (distance) P-C4' energy: -104.999 flat angles C4'-P-C4' energy: -146.885 flat angles P-C4'-P energy: -109.005 tors. eta vs tors. theta energy: -175.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2160.580817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.580817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.580817 (E_RNA) where: Base-Base interactions energy: -1509.015 where: short stacking energy: -615.472 Base-Backbone interact. energy: -2.078 local terms energy: -649.488161 where: bonds (distance) C4'-P energy: -127.980 bonds (distance) P-C4' energy: -119.165 flat angles C4'-P-C4' energy: -142.575 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -159.633 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: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1994.545250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.545250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.545250 (E_RNA) where: Base-Base interactions energy: -1401.047 where: short stacking energy: -564.116 Base-Backbone interact. energy: -4.186 local terms energy: -589.312120 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -121.429 flat angles C4'-P-C4' energy: -130.463 flat angles P-C4'-P energy: -87.539 tors. eta vs tors. theta energy: -143.812 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1991.197351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.197351 (E_RNA) where: Base-Base interactions energy: -1344.265 where: short stacking energy: -581.457 Base-Backbone interact. energy: -4.020 local terms energy: -642.911676 where: bonds (distance) C4'-P energy: -124.935 bonds (distance) P-C4' energy: -135.479 flat angles C4'-P-C4' energy: -141.607 flat angles P-C4'-P energy: -84.700 tors. eta vs tors. theta energy: -156.191 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: 1 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1736.914008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.914008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.914008 (E_RNA) where: Base-Base interactions energy: -1185.246 where: short stacking energy: -488.578 Base-Backbone interact. energy: -5.321 local terms energy: -546.346383 where: bonds (distance) C4'-P energy: -114.225 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -136.090 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -120.709 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: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1351.955105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.955105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.955105 (E_RNA) where: Base-Base interactions energy: -862.283 where: short stacking energy: -351.101 Base-Backbone interact. energy: -0.753 local terms energy: -488.919277 where: bonds (distance) C4'-P energy: -127.866 bonds (distance) P-C4' energy: -114.346 flat angles C4'-P-C4' energy: -112.686 flat angles P-C4'-P energy: -71.188 tors. eta vs tors. theta energy: -62.833 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: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1242.404388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.404388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.404388 (E_RNA) where: Base-Base interactions energy: -773.015 where: short stacking energy: -349.831 Base-Backbone interact. energy: -0.509 local terms energy: -468.880144 where: bonds (distance) C4'-P energy: -100.366 bonds (distance) P-C4' energy: -137.318 flat angles C4'-P-C4' energy: -99.123 flat angles P-C4'-P energy: -79.831 tors. eta vs tors. theta energy: -52.242 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: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1095.466982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.466982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.466982 (E_RNA) where: Base-Base interactions energy: -644.146 where: short stacking energy: -307.530 Base-Backbone interact. energy: -3.274 local terms energy: -448.046133 where: bonds (distance) C4'-P energy: -102.954 bonds (distance) P-C4' energy: -103.508 flat angles C4'-P-C4' energy: -117.321 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: -59.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -823.982059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.982059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.982059 (E_RNA) where: Base-Base interactions energy: -449.574 where: short stacking energy: -214.914 Base-Backbone interact. energy: -1.224 local terms energy: -373.184747 where: bonds (distance) C4'-P energy: -103.761 bonds (distance) P-C4' energy: -107.667 flat angles C4'-P-C4' energy: -80.178 flat angles P-C4'-P energy: -63.097 tors. eta vs tors. theta energy: -18.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2324.238112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.238112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.238112 (E_RNA) where: Base-Base interactions energy: -1629.455 where: short stacking energy: -682.602 Base-Backbone interact. energy: -7.120 local terms energy: -687.662339 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -125.710 flat angles C4'-P-C4' energy: -156.774 flat angles P-C4'-P energy: -93.782 tors. eta vs tors. theta energy: -184.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2258.564759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.564759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.564759 (E_RNA) where: Base-Base interactions energy: -1570.418 where: short stacking energy: -641.231 Base-Backbone interact. energy: -4.186 local terms energy: -683.960505 where: bonds (distance) C4'-P energy: -121.467 bonds (distance) P-C4' energy: -127.528 flat angles C4'-P-C4' energy: -156.103 flat angles P-C4'-P energy: -88.856 tors. eta vs tors. theta energy: -190.006 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: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2185.462836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.462836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.462836 (E_RNA) where: Base-Base interactions energy: -1542.948 where: short stacking energy: -646.449 Base-Backbone interact. energy: -5.069 local terms energy: -637.446536 where: bonds (distance) C4'-P energy: -110.217 bonds (distance) P-C4' energy: -121.760 flat angles C4'-P-C4' energy: -151.201 flat angles P-C4'-P energy: -87.772 tors. eta vs tors. theta energy: -166.497 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: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1989.340530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.340530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.340530 (E_RNA) where: Base-Base interactions energy: -1368.108 where: short stacking energy: -574.602 Base-Backbone interact. energy: 2.207 local terms energy: -623.439008 where: bonds (distance) C4'-P energy: -127.500 bonds (distance) P-C4' energy: -129.648 flat angles C4'-P-C4' energy: -143.597 flat angles P-C4'-P energy: -77.701 tors. eta vs tors. theta energy: -144.994 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: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1943.769329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.769329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.769329 (E_RNA) where: Base-Base interactions energy: -1322.316 where: short stacking energy: -591.697 Base-Backbone interact. energy: -0.913 local terms energy: -620.540045 where: bonds (distance) C4'-P energy: -116.370 bonds (distance) P-C4' energy: -133.839 flat angles C4'-P-C4' energy: -139.637 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -149.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1723.428594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.428594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.428594 (E_RNA) where: Base-Base interactions energy: -1152.272 where: short stacking energy: -473.574 Base-Backbone interact. energy: -2.040 local terms energy: -569.116113 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -134.557 flat angles C4'-P-C4' energy: -132.786 flat angles P-C4'-P energy: -82.755 tors. eta vs tors. theta energy: -122.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1368.917192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.917192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.917192 (E_RNA) where: Base-Base interactions energy: -922.367 where: short stacking energy: -394.952 Base-Backbone interact. energy: -0.154 local terms energy: -446.395734 where: bonds (distance) C4'-P energy: -88.604 bonds (distance) P-C4' energy: -118.082 flat angles C4'-P-C4' energy: -107.035 flat angles P-C4'-P energy: -67.775 tors. eta vs tors. theta energy: -64.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1306.096359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.096359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.096359 (E_RNA) where: Base-Base interactions energy: -825.785 where: short stacking energy: -401.352 Base-Backbone interact. energy: -0.954 local terms energy: -479.357408 where: bonds (distance) C4'-P energy: -107.142 bonds (distance) P-C4' energy: -125.813 flat angles C4'-P-C4' energy: -100.280 flat angles P-C4'-P energy: -73.949 tors. eta vs tors. theta energy: -72.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1211.687861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.687861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.687861 (E_RNA) where: Base-Base interactions energy: -774.197 where: short stacking energy: -361.397 Base-Backbone interact. energy: -2.033 local terms energy: -435.457973 where: bonds (distance) C4'-P energy: -87.904 bonds (distance) P-C4' energy: -103.393 flat angles C4'-P-C4' energy: -116.611 flat angles P-C4'-P energy: -61.356 tors. eta vs tors. theta energy: -66.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -764.948996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.948996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.948996 (E_RNA) where: Base-Base interactions energy: -426.491 where: short stacking energy: -212.092 Base-Backbone interact. energy: 6.971 local terms energy: -345.429810 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -105.985 flat angles C4'-P-C4' energy: -89.510 flat angles P-C4'-P energy: -33.833 tors. eta vs tors. theta energy: -0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2274.074933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.074933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.074933 (E_RNA) where: Base-Base interactions energy: -1587.927 where: short stacking energy: -643.914 Base-Backbone interact. energy: -3.367 local terms energy: -682.780602 where: bonds (distance) C4'-P energy: -112.321 bonds (distance) P-C4' energy: -129.526 flat angles C4'-P-C4' energy: -156.267 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -176.649 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: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2262.418401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.418401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.418401 (E_RNA) where: Base-Base interactions energy: -1597.256 where: short stacking energy: -668.693 Base-Backbone interact. energy: 1.124 local terms energy: -666.286776 where: bonds (distance) C4'-P energy: -123.073 bonds (distance) P-C4' energy: -117.193 flat angles C4'-P-C4' energy: -145.069 flat angles P-C4'-P energy: -100.056 tors. eta vs tors. theta energy: -180.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2186.226833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.226833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.226833 (E_RNA) where: Base-Base interactions energy: -1540.314 where: short stacking energy: -655.656 Base-Backbone interact. energy: 4.853 local terms energy: -650.765697 where: bonds (distance) C4'-P energy: -114.004 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -143.641 flat angles P-C4'-P energy: -94.356 tors. eta vs tors. theta energy: -165.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2019.482779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.482779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.482779 (E_RNA) where: Base-Base interactions energy: -1418.129 where: short stacking energy: -604.798 Base-Backbone interact. energy: -0.446 local terms energy: -600.907751 where: bonds (distance) C4'-P energy: -102.923 bonds (distance) P-C4' energy: -109.792 flat angles C4'-P-C4' energy: -138.972 flat angles P-C4'-P energy: -101.458 tors. eta vs tors. theta energy: -147.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1920.502217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.502217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.502217 (E_RNA) where: Base-Base interactions energy: -1325.696 where: short stacking energy: -591.006 Base-Backbone interact. energy: -3.375 local terms energy: -591.431003 where: bonds (distance) C4'-P energy: -119.302 bonds (distance) P-C4' energy: -116.681 flat angles C4'-P-C4' energy: -124.782 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -153.134 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: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1758.302461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.302461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.302461 (E_RNA) where: Base-Base interactions energy: -1222.869 where: short stacking energy: -520.090 Base-Backbone interact. energy: 0.151 local terms energy: -535.584289 where: bonds (distance) C4'-P energy: -110.716 bonds (distance) P-C4' energy: -101.040 flat angles C4'-P-C4' energy: -130.114 flat angles P-C4'-P energy: -78.423 tors. eta vs tors. theta energy: -115.291 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: 10 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1432.914624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.914624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.914624 (E_RNA) where: Base-Base interactions energy: -960.893 where: short stacking energy: -408.002 Base-Backbone interact. energy: -1.273 local terms energy: -470.749174 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -120.192 flat angles C4'-P-C4' energy: -107.282 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -71.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1417.966766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.966766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.966766 (E_RNA) where: Base-Base interactions energy: -954.641 where: short stacking energy: -428.368 Base-Backbone interact. energy: 4.082 local terms energy: -467.407751 where: bonds (distance) C4'-P energy: -105.289 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -86.995 flat angles P-C4'-P energy: -77.264 tors. eta vs tors. theta energy: -97.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1247.184044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.184044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.184044 (E_RNA) where: Base-Base interactions energy: -766.795 where: short stacking energy: -349.473 Base-Backbone interact. energy: -2.560 local terms energy: -477.829856 where: bonds (distance) C4'-P energy: -103.434 bonds (distance) P-C4' energy: -122.172 flat angles C4'-P-C4' energy: -118.104 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: -70.961 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: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -752.984031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.984031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.984031 (E_RNA) where: Base-Base interactions energy: -397.001 where: short stacking energy: -239.192 Base-Backbone interact. energy: 4.770 local terms energy: -360.753387 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -103.714 flat angles C4'-P-C4' energy: -99.523 flat angles P-C4'-P energy: -59.146 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: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2285.344763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.344763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.344763 (E_RNA) where: Base-Base interactions energy: -1615.855 where: short stacking energy: -678.634 Base-Backbone interact. energy: -6.244 local terms energy: -663.245638 where: bonds (distance) C4'-P energy: -112.000 bonds (distance) P-C4' energy: -123.642 flat angles C4'-P-C4' energy: -149.028 flat angles P-C4'-P energy: -97.211 tors. eta vs tors. theta energy: -181.363 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: 2, replica: 3 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2235.375692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.375692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.375692 (E_RNA) where: Base-Base interactions energy: -1572.209 where: short stacking energy: -648.589 Base-Backbone interact. energy: -4.229 local terms energy: -658.937450 where: bonds (distance) C4'-P energy: -124.595 bonds (distance) P-C4' energy: -114.380 flat angles C4'-P-C4' energy: -148.486 flat angles P-C4'-P energy: -94.543 tors. eta vs tors. theta energy: -176.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2167.329975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.329975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.329975 (E_RNA) where: Base-Base interactions energy: -1532.585 where: short stacking energy: -603.928 Base-Backbone interact. energy: 1.003 local terms energy: -635.747645 where: bonds (distance) C4'-P energy: -131.587 bonds (distance) P-C4' energy: -128.521 flat angles C4'-P-C4' energy: -132.678 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -154.696 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: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1988.544770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.544770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.544770 (E_RNA) where: Base-Base interactions energy: -1369.468 where: short stacking energy: -572.102 Base-Backbone interact. energy: 0.135 local terms energy: -619.211500 where: bonds (distance) C4'-P energy: -126.101 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -137.592 flat angles P-C4'-P energy: -83.203 tors. eta vs tors. theta energy: -139.852 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: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1928.506634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.506634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.506634 (E_RNA) where: Base-Base interactions energy: -1336.706 where: short stacking energy: -592.912 Base-Backbone interact. energy: 0.404 local terms energy: -592.204694 where: bonds (distance) C4'-P energy: -119.925 bonds (distance) P-C4' energy: -104.114 flat angles C4'-P-C4' energy: -145.447 flat angles P-C4'-P energy: -71.349 tors. eta vs tors. theta energy: -151.370 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: 1 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1814.914945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.914945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.914945 (E_RNA) where: Base-Base interactions energy: -1264.612 where: short stacking energy: -540.548 Base-Backbone interact. energy: 1.633 local terms energy: -551.935928 where: bonds (distance) C4'-P energy: -107.778 bonds (distance) P-C4' energy: -110.915 flat angles C4'-P-C4' energy: -119.396 flat angles P-C4'-P energy: -70.333 tors. eta vs tors. theta energy: -143.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1521.829497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.829497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.829497 (E_RNA) where: Base-Base interactions energy: -1010.163 where: short stacking energy: -470.327 Base-Backbone interact. energy: -0.849 local terms energy: -510.817373 where: bonds (distance) C4'-P energy: -98.595 bonds (distance) P-C4' energy: -112.203 flat angles C4'-P-C4' energy: -126.446 flat angles P-C4'-P energy: -67.700 tors. eta vs tors. theta energy: -105.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1287.704091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.704091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.704091 (E_RNA) where: Base-Base interactions energy: -833.398 where: short stacking energy: -371.905 Base-Backbone interact. energy: -1.933 local terms energy: -452.372986 where: bonds (distance) C4'-P energy: -95.240 bonds (distance) P-C4' energy: -115.556 flat angles C4'-P-C4' energy: -120.562 flat angles P-C4'-P energy: -70.697 tors. eta vs tors. theta energy: -50.318 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: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1193.256492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.256492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.256492 (E_RNA) where: Base-Base interactions energy: -753.413 where: short stacking energy: -335.132 Base-Backbone interact. energy: 1.112 local terms energy: -440.955712 where: bonds (distance) C4'-P energy: -112.565 bonds (distance) P-C4' energy: -109.182 flat angles C4'-P-C4' energy: -104.293 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -67.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -803.474208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.474208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.474208 (E_RNA) where: Base-Base interactions energy: -425.575 where: short stacking energy: -217.813 Base-Backbone interact. energy: 2.084 local terms energy: -379.983302 where: bonds (distance) C4'-P energy: -99.659 bonds (distance) P-C4' energy: -120.842 flat angles C4'-P-C4' energy: -92.068 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -4.053 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: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2284.976579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.976579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.976579 (E_RNA) where: Base-Base interactions energy: -1590.562 where: short stacking energy: -643.593 Base-Backbone interact. energy: -4.425 local terms energy: -689.989795 where: bonds (distance) C4'-P energy: -128.683 bonds (distance) P-C4' energy: -130.660 flat angles C4'-P-C4' energy: -157.582 flat angles P-C4'-P energy: -94.343 tors. eta vs tors. theta energy: -178.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2229.457809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.457809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.457809 (E_RNA) where: Base-Base interactions energy: -1563.188 where: short stacking energy: -647.210 Base-Backbone interact. energy: 1.932 local terms energy: -668.201721 where: bonds (distance) C4'-P energy: -132.769 bonds (distance) P-C4' energy: -124.895 flat angles C4'-P-C4' energy: -147.051 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -164.006 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: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2180.438564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.438564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.438564 (E_RNA) where: Base-Base interactions energy: -1532.307 where: short stacking energy: -648.743 Base-Backbone interact. energy: -4.038 local terms energy: -644.093993 where: bonds (distance) C4'-P energy: -119.621 bonds (distance) P-C4' energy: -120.202 flat angles C4'-P-C4' energy: -132.414 flat angles P-C4'-P energy: -94.118 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: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2052.065017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.065017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.065017 (E_RNA) where: Base-Base interactions energy: -1419.405 where: short stacking energy: -630.063 Base-Backbone interact. energy: -0.587 local terms energy: -632.073339 where: bonds (distance) C4'-P energy: -108.138 bonds (distance) P-C4' energy: -126.726 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -91.154 tors. eta vs tors. theta energy: -168.258 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1897.789906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.789906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.789906 (E_RNA) where: Base-Base interactions energy: -1324.192 where: short stacking energy: -561.548 Base-Backbone interact. energy: 0.580 local terms energy: -574.177361 where: bonds (distance) C4'-P energy: -111.706 bonds (distance) P-C4' energy: -118.285 flat angles C4'-P-C4' energy: -139.841 flat angles P-C4'-P energy: -64.923 tors. eta vs tors. theta energy: -139.422 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: 1 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1772.247526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.247526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.247526 (E_RNA) where: Base-Base interactions energy: -1206.853 where: short stacking energy: -540.552 Base-Backbone interact. energy: -3.401 local terms energy: -561.993045 where: bonds (distance) C4'-P energy: -100.314 bonds (distance) P-C4' energy: -116.246 flat angles C4'-P-C4' energy: -134.255 flat angles P-C4'-P energy: -69.049 tors. eta vs tors. theta energy: -142.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1560.370064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.370064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.370064 (E_RNA) where: Base-Base interactions energy: -1026.886 where: short stacking energy: -457.684 Base-Backbone interact. energy: 6.023 local terms energy: -539.506261 where: bonds (distance) C4'-P energy: -109.894 bonds (distance) P-C4' energy: -104.850 flat angles C4'-P-C4' energy: -125.280 flat angles P-C4'-P energy: -73.372 tors. eta vs tors. theta energy: -126.109 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: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1232.106858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.106858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.106858 (E_RNA) where: Base-Base interactions energy: -805.828 where: short stacking energy: -343.682 Base-Backbone interact. energy: 1.721 local terms energy: -428.000132 where: bonds (distance) C4'-P energy: -102.432 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -62.167 tors. eta vs tors. theta energy: -51.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1193.201572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.201572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.201572 (E_RNA) where: Base-Base interactions energy: -767.841 where: short stacking energy: -340.593 Base-Backbone interact. energy: 5.397 local terms energy: -430.757551 where: bonds (distance) C4'-P energy: -93.323 bonds (distance) P-C4' energy: -104.743 flat angles C4'-P-C4' energy: -125.422 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: -61.003 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: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -867.840772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.840772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.840772 (E_RNA) where: Base-Base interactions energy: -468.567 where: short stacking energy: -230.921 Base-Backbone interact. energy: 5.537 local terms energy: -404.810751 where: bonds (distance) C4'-P energy: -109.066 bonds (distance) P-C4' energy: -121.038 flat angles C4'-P-C4' energy: -105.393 flat angles P-C4'-P energy: -52.864 tors. eta vs tors. theta energy: -16.449 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: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2292.381443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.381443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.381443 (E_RNA) where: Base-Base interactions energy: -1623.775 where: short stacking energy: -674.016 Base-Backbone interact. energy: -2.114 local terms energy: -666.493104 where: bonds (distance) C4'-P energy: -123.108 bonds (distance) P-C4' energy: -132.081 flat angles C4'-P-C4' energy: -158.192 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -170.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2187.460612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.460612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.460612 (E_RNA) where: Base-Base interactions energy: -1521.076 where: short stacking energy: -645.211 Base-Backbone interact. energy: 1.004 local terms energy: -667.389466 where: bonds (distance) C4'-P energy: -131.866 bonds (distance) P-C4' energy: -138.864 flat angles C4'-P-C4' energy: -133.107 flat angles P-C4'-P energy: -95.390 tors. eta vs tors. theta energy: -168.163 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: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2180.905919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.905919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.905919 (E_RNA) where: Base-Base interactions energy: -1525.929 where: short stacking energy: -660.114 Base-Backbone interact. energy: -2.178 local terms energy: -652.799501 where: bonds (distance) C4'-P energy: -126.768 bonds (distance) P-C4' energy: -121.090 flat angles C4'-P-C4' energy: -138.778 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -171.192 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: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2029.589747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.589747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.589747 (E_RNA) where: Base-Base interactions energy: -1421.739 where: short stacking energy: -604.768 Base-Backbone interact. energy: -2.219 local terms energy: -605.631419 where: bonds (distance) C4'-P energy: -102.731 bonds (distance) P-C4' energy: -129.770 flat angles C4'-P-C4' energy: -135.568 flat angles P-C4'-P energy: -77.458 tors. eta vs tors. theta energy: -160.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1882.197381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.197381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.197381 (E_RNA) where: Base-Base interactions energy: -1325.557 where: short stacking energy: -547.045 Base-Backbone interact. energy: -4.442 local terms energy: -552.198457 where: bonds (distance) C4'-P energy: -118.663 bonds (distance) P-C4' energy: -122.412 flat angles C4'-P-C4' energy: -113.573 flat angles P-C4'-P energy: -83.047 tors. eta vs tors. theta energy: -114.503 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: 6, replica: 1 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1781.958250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.958250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.958250 (E_RNA) where: Base-Base interactions energy: -1206.141 where: short stacking energy: -520.925 Base-Backbone interact. energy: -0.373 local terms energy: -575.444254 where: bonds (distance) C4'-P energy: -125.406 bonds (distance) P-C4' energy: -117.479 flat angles C4'-P-C4' energy: -123.955 flat angles P-C4'-P energy: -88.453 tors. eta vs tors. theta energy: -120.152 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: 124 Temperature: 1.200000 Total energy: -1555.402892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.402892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.402892 (E_RNA) where: Base-Base interactions energy: -1049.565 where: short stacking energy: -469.393 Base-Backbone interact. energy: 1.342 local terms energy: -507.180340 where: bonds (distance) C4'-P energy: -95.395 bonds (distance) P-C4' energy: -112.051 flat angles C4'-P-C4' energy: -125.358 flat angles P-C4'-P energy: -61.475 tors. eta vs tors. theta energy: -112.903 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: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1251.733836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.733836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.733836 (E_RNA) where: Base-Base interactions energy: -803.619 where: short stacking energy: -389.978 Base-Backbone interact. energy: 0.688 local terms energy: -448.802989 where: bonds (distance) C4'-P energy: -108.533 bonds (distance) P-C4' energy: -97.404 flat angles C4'-P-C4' energy: -112.382 flat angles P-C4'-P energy: -62.517 tors. eta vs tors. theta energy: -67.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1202.993884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.993884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.993884 (E_RNA) where: Base-Base interactions energy: -789.224 where: short stacking energy: -355.153 Base-Backbone interact. energy: 0.676 local terms energy: -414.445843 where: bonds (distance) C4'-P energy: -77.248 bonds (distance) P-C4' energy: -105.148 flat angles C4'-P-C4' energy: -113.434 flat angles P-C4'-P energy: -60.645 tors. eta vs tors. theta energy: -57.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -835.932432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.932432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.932432 (E_RNA) where: Base-Base interactions energy: -456.010 where: short stacking energy: -260.310 Base-Backbone interact. energy: -0.236 local terms energy: -379.686414 where: bonds (distance) C4'-P energy: -100.799 bonds (distance) P-C4' energy: -95.541 flat angles C4'-P-C4' energy: -101.516 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -24.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2287.300353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.300353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.300353 (E_RNA) where: Base-Base interactions energy: -1588.846 where: short stacking energy: -639.784 Base-Backbone interact. energy: -4.546 local terms energy: -693.909136 where: bonds (distance) C4'-P energy: -135.843 bonds (distance) P-C4' energy: -147.085 flat angles C4'-P-C4' energy: -149.453 flat angles P-C4'-P energy: -87.607 tors. eta vs tors. theta energy: -173.921 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: 2, replica: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2229.185478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.185478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.185478 (E_RNA) where: Base-Base interactions energy: -1538.847 where: short stacking energy: -655.295 Base-Backbone interact. energy: -2.080 local terms energy: -688.258880 where: bonds (distance) C4'-P energy: -119.450 bonds (distance) P-C4' energy: -129.724 flat angles C4'-P-C4' energy: -159.576 flat angles P-C4'-P energy: -95.146 tors. eta vs tors. theta energy: -184.363 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: 125 Temperature: 1.000000 Total energy: -2170.148491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.148491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.148491 (E_RNA) where: Base-Base interactions energy: -1513.759 where: short stacking energy: -616.069 Base-Backbone interact. energy: -0.133 local terms energy: -656.256124 where: bonds (distance) C4'-P energy: -134.958 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -142.691 flat angles P-C4'-P energy: -82.264 tors. eta vs tors. theta energy: -153.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2029.968810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.968810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.968810 (E_RNA) where: Base-Base interactions energy: -1384.005 where: short stacking energy: -612.547 Base-Backbone interact. energy: -2.452 local terms energy: -643.512065 where: bonds (distance) C4'-P energy: -117.054 bonds (distance) P-C4' energy: -120.282 flat angles C4'-P-C4' energy: -143.607 flat angles P-C4'-P energy: -88.774 tors. eta vs tors. theta energy: -173.795 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: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1887.707211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.707211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.707211 (E_RNA) where: Base-Base interactions energy: -1300.372 where: short stacking energy: -539.162 Base-Backbone interact. energy: -4.509 local terms energy: -582.825677 where: bonds (distance) C4'-P energy: -109.530 bonds (distance) P-C4' energy: -121.667 flat angles C4'-P-C4' energy: -132.184 flat angles P-C4'-P energy: -98.389 tors. eta vs tors. theta energy: -121.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1816.277941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.277941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.277941 (E_RNA) where: Base-Base interactions energy: -1273.484 where: short stacking energy: -539.108 Base-Backbone interact. energy: -0.851 local terms energy: -541.942915 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -99.919 flat angles C4'-P-C4' energy: -106.942 flat angles P-C4'-P energy: -77.436 tors. eta vs tors. theta energy: -147.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1543.844314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.844314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.844314 (E_RNA) where: Base-Base interactions energy: -1018.363 where: short stacking energy: -444.532 Base-Backbone interact. energy: -3.400 local terms energy: -522.081744 where: bonds (distance) C4'-P energy: -113.418 bonds (distance) P-C4' energy: -118.142 flat angles C4'-P-C4' energy: -132.271 flat angles P-C4'-P energy: -58.607 tors. eta vs tors. theta energy: -99.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1294.008032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.008032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.008032 (E_RNA) where: Base-Base interactions energy: -835.754 where: short stacking energy: -350.865 Base-Backbone interact. energy: -0.882 local terms energy: -457.372091 where: bonds (distance) C4'-P energy: -105.064 bonds (distance) P-C4' energy: -100.068 flat angles C4'-P-C4' energy: -103.581 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -65.361 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1164.424190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.424190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.424190 (E_RNA) where: Base-Base interactions energy: -721.017 where: short stacking energy: -330.119 Base-Backbone interact. energy: -3.845 local terms energy: -439.562161 where: bonds (distance) C4'-P energy: -98.722 bonds (distance) P-C4' energy: -111.568 flat angles C4'-P-C4' energy: -101.756 flat angles P-C4'-P energy: -68.026 tors. eta vs tors. theta energy: -59.490 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: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -791.847837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.847837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.847837 (E_RNA) where: Base-Base interactions energy: -441.955 where: short stacking energy: -221.738 Base-Backbone interact. energy: 5.157 local terms energy: -355.049883 where: bonds (distance) C4'-P energy: -99.549 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -56.999 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2285.609651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.609651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.609651 (E_RNA) where: Base-Base interactions energy: -1585.291 where: short stacking energy: -649.824 Base-Backbone interact. energy: -0.377 local terms energy: -699.941582 where: bonds (distance) C4'-P energy: -136.077 bonds (distance) P-C4' energy: -129.994 flat angles C4'-P-C4' energy: -147.699 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -179.860 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: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2243.050994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.050994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.050994 (E_RNA) where: Base-Base interactions energy: -1568.763 where: short stacking energy: -664.086 Base-Backbone interact. energy: -3.192 local terms energy: -671.095818 where: bonds (distance) C4'-P energy: -123.829 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -140.653 flat angles P-C4'-P energy: -93.162 tors. eta vs tors. theta energy: -177.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2160.776011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.776011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.776011 (E_RNA) where: Base-Base interactions energy: -1536.916 where: short stacking energy: -640.277 Base-Backbone interact. energy: -2.851 local terms energy: -621.008669 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -112.496 flat angles C4'-P-C4' energy: -147.670 flat angles P-C4'-P energy: -79.798 tors. eta vs tors. theta energy: -164.064 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2001.183580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.183580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.183580 (E_RNA) where: Base-Base interactions energy: -1374.458 where: short stacking energy: -580.748 Base-Backbone interact. energy: -5.789 local terms energy: -620.936596 where: bonds (distance) C4'-P energy: -137.841 bonds (distance) P-C4' energy: -122.765 flat angles C4'-P-C4' energy: -128.680 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: -155.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1864.887973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.887973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.887973 (E_RNA) where: Base-Base interactions energy: -1276.371 where: short stacking energy: -538.246 Base-Backbone interact. energy: -0.224 local terms energy: -588.292884 where: bonds (distance) C4'-P energy: -113.324 bonds (distance) P-C4' energy: -116.081 flat angles C4'-P-C4' energy: -144.849 flat angles P-C4'-P energy: -86.062 tors. eta vs tors. theta energy: -127.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1847.008191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.008191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.008191 (E_RNA) where: Base-Base interactions energy: -1269.878 where: short stacking energy: -530.550 Base-Backbone interact. energy: 1.068 local terms energy: -578.197719 where: bonds (distance) C4'-P energy: -106.449 bonds (distance) P-C4' energy: -117.219 flat angles C4'-P-C4' energy: -141.313 flat angles P-C4'-P energy: -74.720 tors. eta vs tors. theta energy: -138.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1485.803431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.803431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.803431 (E_RNA) where: Base-Base interactions energy: -981.699 where: short stacking energy: -462.122 Base-Backbone interact. energy: 1.426 local terms energy: -505.530377 where: bonds (distance) C4'-P energy: -103.802 bonds (distance) P-C4' energy: -112.585 flat angles C4'-P-C4' energy: -114.118 flat angles P-C4'-P energy: -68.821 tors. eta vs tors. theta energy: -106.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1265.643374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.643374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.643374 (E_RNA) where: Base-Base interactions energy: -835.157 where: short stacking energy: -361.817 Base-Backbone interact. energy: -0.963 local terms energy: -429.523642 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -109.259 flat angles C4'-P-C4' energy: -105.272 flat angles P-C4'-P energy: -68.655 tors. eta vs tors. theta energy: -42.860 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: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1141.675307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.675307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.675307 (E_RNA) where: Base-Base interactions energy: -716.848 where: short stacking energy: -329.393 Base-Backbone interact. energy: -0.698 local terms energy: -424.128718 where: bonds (distance) C4'-P energy: -107.268 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -98.878 flat angles P-C4'-P energy: -61.863 tors. eta vs tors. theta energy: -51.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -833.381147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.381147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.381147 (E_RNA) where: Base-Base interactions energy: -460.199 where: short stacking energy: -236.881 Base-Backbone interact. energy: -2.467 local terms energy: -370.715344 where: bonds (distance) C4'-P energy: -98.004 bonds (distance) P-C4' energy: -108.576 flat angles C4'-P-C4' energy: -105.810 flat angles P-C4'-P energy: -37.976 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: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2305.399552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.399552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.399552 (E_RNA) where: Base-Base interactions energy: -1652.224 where: short stacking energy: -678.515 Base-Backbone interact. energy: -3.247 local terms energy: -649.928556 where: bonds (distance) C4'-P energy: -127.764 bonds (distance) P-C4' energy: -123.896 flat angles C4'-P-C4' energy: -142.143 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -174.157 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: 127 Temperature: 0.950000 Total energy: -2223.915983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.915983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.915983 (E_RNA) where: Base-Base interactions energy: -1536.028 where: short stacking energy: -667.163 Base-Backbone interact. energy: -1.604 local terms energy: -686.283529 where: bonds (distance) C4'-P energy: -118.009 bonds (distance) P-C4' energy: -129.741 flat angles C4'-P-C4' energy: -145.826 flat angles P-C4'-P energy: -96.585 tors. eta vs tors. theta energy: -196.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2154.864701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.864701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.864701 (E_RNA) where: Base-Base interactions energy: -1521.962 where: short stacking energy: -643.129 Base-Backbone interact. energy: -1.274 local terms energy: -631.628267 where: bonds (distance) C4'-P energy: -129.534 bonds (distance) P-C4' energy: -114.446 flat angles C4'-P-C4' energy: -142.486 flat angles P-C4'-P energy: -83.044 tors. eta vs tors. theta energy: -162.118 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: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2036.770982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.770982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.770982 (E_RNA) where: Base-Base interactions energy: -1412.606 where: short stacking energy: -612.693 Base-Backbone interact. energy: -0.405 local terms energy: -623.760004 where: bonds (distance) C4'-P energy: -101.311 bonds (distance) P-C4' energy: -125.492 flat angles C4'-P-C4' energy: -139.373 flat angles P-C4'-P energy: -89.559 tors. eta vs tors. theta energy: -168.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1874.396232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.396232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.396232 (E_RNA) where: Base-Base interactions energy: -1284.620 where: short stacking energy: -533.266 Base-Backbone interact. energy: -3.475 local terms energy: -586.301533 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -124.400 flat angles C4'-P-C4' energy: -134.753 flat angles P-C4'-P energy: -89.819 tors. eta vs tors. theta energy: -129.948 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: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1805.243777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.243777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.243777 (E_RNA) where: Base-Base interactions energy: -1240.325 where: short stacking energy: -528.172 Base-Backbone interact. energy: -2.514 local terms energy: -562.404260 where: bonds (distance) C4'-P energy: -118.532 bonds (distance) P-C4' energy: -112.414 flat angles C4'-P-C4' energy: -114.890 flat angles P-C4'-P energy: -85.913 tors. eta vs tors. theta energy: -130.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1442.346027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.346027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.346027 (E_RNA) where: Base-Base interactions energy: -912.010 where: short stacking energy: -416.277 Base-Backbone interact. energy: -1.728 local terms energy: -528.607892 where: bonds (distance) C4'-P energy: -115.822 bonds (distance) P-C4' energy: -126.314 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -85.775 tors. eta vs tors. theta energy: -90.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1213.149688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.149688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.149688 (E_RNA) where: Base-Base interactions energy: -760.112 where: short stacking energy: -372.127 Base-Backbone interact. energy: 1.723 local terms energy: -454.760551 where: bonds (distance) C4'-P energy: -104.236 bonds (distance) P-C4' energy: -101.621 flat angles C4'-P-C4' energy: -119.325 flat angles P-C4'-P energy: -61.840 tors. eta vs tors. theta energy: -67.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1232.136517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.136517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.136517 (E_RNA) where: Base-Base interactions energy: -818.327 where: short stacking energy: -360.497 Base-Backbone interact. energy: 5.796 local terms energy: -419.605688 where: bonds (distance) C4'-P energy: -93.229 bonds (distance) P-C4' energy: -118.125 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -46.963 tors. eta vs tors. theta energy: -53.801 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: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -888.532594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.532594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.532594 (E_RNA) where: Base-Base interactions energy: -521.691 where: short stacking energy: -248.581 Base-Backbone interact. energy: 0.014 local terms energy: -366.855843 where: bonds (distance) C4'-P energy: -112.721 bonds (distance) P-C4' energy: -84.456 flat angles C4'-P-C4' energy: -101.661 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -6.659 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: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2287.878613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.878613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.878613 (E_RNA) where: Base-Base interactions energy: -1609.169 where: short stacking energy: -684.682 Base-Backbone interact. energy: -0.358 local terms energy: -678.351915 where: bonds (distance) C4'-P energy: -126.264 bonds (distance) P-C4' energy: -123.628 flat angles C4'-P-C4' energy: -140.275 flat angles P-C4'-P energy: -102.867 tors. eta vs tors. theta energy: -185.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2213.527028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.527028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.527028 (E_RNA) where: Base-Base interactions energy: -1536.203 where: short stacking energy: -653.186 Base-Backbone interact. energy: -2.714 local terms energy: -674.609991 where: bonds (distance) C4'-P energy: -116.950 bonds (distance) P-C4' energy: -131.866 flat angles C4'-P-C4' energy: -159.472 flat angles P-C4'-P energy: -84.726 tors. eta vs tors. theta energy: -181.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2192.516034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.516034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.516034 (E_RNA) where: Base-Base interactions energy: -1523.317 where: short stacking energy: -627.830 Base-Backbone interact. energy: -0.748 local terms energy: -668.451216 where: bonds (distance) C4'-P energy: -130.342 bonds (distance) P-C4' energy: -126.005 flat angles C4'-P-C4' energy: -145.645 flat angles P-C4'-P energy: -100.703 tors. eta vs tors. theta energy: -165.757 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: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2050.898156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.898156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.898156 (E_RNA) where: Base-Base interactions energy: -1395.823 where: short stacking energy: -588.105 Base-Backbone interact. energy: -2.523 local terms energy: -652.552505 where: bonds (distance) C4'-P energy: -107.059 bonds (distance) P-C4' energy: -128.444 flat angles C4'-P-C4' energy: -151.020 flat angles P-C4'-P energy: -97.362 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: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1850.579080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.579080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.579080 (E_RNA) where: Base-Base interactions energy: -1261.795 where: short stacking energy: -578.584 Base-Backbone interact. energy: -2.985 local terms energy: -585.799009 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -104.808 flat angles C4'-P-C4' energy: -132.043 flat angles P-C4'-P energy: -86.196 tors. eta vs tors. theta energy: -147.207 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: 4 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1815.817154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.817154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.817154 (E_RNA) where: Base-Base interactions energy: -1275.617 where: short stacking energy: -526.525 Base-Backbone interact. energy: 3.151 local terms energy: -543.350872 where: bonds (distance) C4'-P energy: -113.680 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -128.230 flat angles P-C4'-P energy: -79.363 tors. eta vs tors. theta energy: -113.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1512.819762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.819762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.819762 (E_RNA) where: Base-Base interactions energy: -984.434 where: short stacking energy: -465.560 Base-Backbone interact. energy: 0.975 local terms energy: -529.359983 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -107.978 flat angles C4'-P-C4' energy: -125.219 flat angles P-C4'-P energy: -76.031 tors. eta vs tors. theta energy: -108.181 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: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1218.450108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.450108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.450108 (E_RNA) where: Base-Base interactions energy: -755.825 where: short stacking energy: -380.128 Base-Backbone interact. energy: 1.245 local terms energy: -463.869387 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -121.935 flat angles C4'-P-C4' energy: -119.791 flat angles P-C4'-P energy: -71.653 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: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1222.500479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.500479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.500479 (E_RNA) where: Base-Base interactions energy: -790.015 where: short stacking energy: -387.197 Base-Backbone interact. energy: -2.081 local terms energy: -430.404881 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -96.462 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -69.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -960.512201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.512201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.512201 (E_RNA) where: Base-Base interactions energy: -559.777 where: short stacking energy: -258.090 Base-Backbone interact. energy: -3.219 local terms energy: -397.516766 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -125.746 flat angles C4'-P-C4' energy: -92.540 flat angles P-C4'-P energy: -71.374 tors. eta vs tors. theta energy: -14.467 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: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2288.961702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.961702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.961702 (E_RNA) where: Base-Base interactions energy: -1598.723 where: short stacking energy: -654.462 Base-Backbone interact. energy: -3.259 local terms energy: -686.979563 where: bonds (distance) C4'-P energy: -132.930 bonds (distance) P-C4' energy: -128.716 flat angles C4'-P-C4' energy: -152.313 flat angles P-C4'-P energy: -99.414 tors. eta vs tors. theta energy: -173.607 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: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2220.726505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.726505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.726505 (E_RNA) where: Base-Base interactions energy: -1534.087 where: short stacking energy: -679.596 Base-Backbone interact. energy: -2.383 local terms energy: -684.256046 where: bonds (distance) C4'-P energy: -127.331 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -146.928 flat angles P-C4'-P energy: -104.622 tors. eta vs tors. theta energy: -173.778 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: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2129.638841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.638841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.638841 (E_RNA) where: Base-Base interactions energy: -1508.663 where: short stacking energy: -613.873 Base-Backbone interact. energy: -1.236 local terms energy: -619.740033 where: bonds (distance) C4'-P energy: -123.016 bonds (distance) P-C4' energy: -122.532 flat angles C4'-P-C4' energy: -137.062 flat angles P-C4'-P energy: -83.783 tors. eta vs tors. theta energy: -153.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1991.337524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.337524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.337524 (E_RNA) where: Base-Base interactions energy: -1387.956 where: short stacking energy: -591.789 Base-Backbone interact. energy: -5.677 local terms energy: -597.704451 where: bonds (distance) C4'-P energy: -103.597 bonds (distance) P-C4' energy: -118.982 flat angles C4'-P-C4' energy: -126.774 flat angles P-C4'-P energy: -89.606 tors. eta vs tors. theta energy: -158.746 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: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1839.943446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.943446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.943446 (E_RNA) where: Base-Base interactions energy: -1254.712 where: short stacking energy: -522.384 Base-Backbone interact. energy: -3.860 local terms energy: -581.371212 where: bonds (distance) C4'-P energy: -112.559 bonds (distance) P-C4' energy: -128.247 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -74.384 tors. eta vs tors. theta energy: -134.928 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: 4 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1842.345996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.345996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.345996 (E_RNA) where: Base-Base interactions energy: -1282.119 where: short stacking energy: -545.226 Base-Backbone interact. energy: -1.574 local terms energy: -558.653244 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -115.706 flat angles C4'-P-C4' energy: -132.617 flat angles P-C4'-P energy: -77.531 tors. eta vs tors. theta energy: -131.027 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: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1523.043151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.043151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.043151 (E_RNA) where: Base-Base interactions energy: -999.855 where: short stacking energy: -440.605 Base-Backbone interact. energy: -4.029 local terms energy: -519.158291 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -121.102 flat angles C4'-P-C4' energy: -127.976 flat angles P-C4'-P energy: -71.387 tors. eta vs tors. theta energy: -100.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1254.065261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.065261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.065261 (E_RNA) where: Base-Base interactions energy: -792.402 where: short stacking energy: -383.158 Base-Backbone interact. energy: -0.794 local terms energy: -460.868782 where: bonds (distance) C4'-P energy: -96.468 bonds (distance) P-C4' energy: -111.560 flat angles C4'-P-C4' energy: -101.837 flat angles P-C4'-P energy: -76.252 tors. eta vs tors. theta energy: -74.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1018.924344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.924344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.924344 (E_RNA) where: Base-Base interactions energy: -605.982 where: short stacking energy: -277.541 Base-Backbone interact. energy: -3.328 local terms energy: -409.613853 where: bonds (distance) C4'-P energy: -90.126 bonds (distance) P-C4' energy: -118.772 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -27.555 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: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -952.975477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.975477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.975477 (E_RNA) where: Base-Base interactions energy: -600.959 where: short stacking energy: -294.167 Base-Backbone interact. energy: -2.748 local terms energy: -349.268616 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -105.785 flat angles C4'-P-C4' energy: -62.705 flat angles P-C4'-P energy: -63.549 tors. eta vs tors. theta energy: -30.027 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: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2277.008128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.008128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.008128 (E_RNA) where: Base-Base interactions energy: -1592.788 where: short stacking energy: -662.166 Base-Backbone interact. energy: -1.927 local terms energy: -682.293001 where: bonds (distance) C4'-P energy: -137.649 bonds (distance) P-C4' energy: -137.596 flat angles C4'-P-C4' energy: -140.390 flat angles P-C4'-P energy: -95.862 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: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2255.618344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.618344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.618344 (E_RNA) where: Base-Base interactions energy: -1561.367 where: short stacking energy: -681.216 Base-Backbone interact. energy: -3.516 local terms energy: -690.735097 where: bonds (distance) C4'-P energy: -125.094 bonds (distance) P-C4' energy: -121.936 flat angles C4'-P-C4' energy: -141.673 flat angles P-C4'-P energy: -107.217 tors. eta vs tors. theta energy: -194.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2180.871184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.871184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.871184 (E_RNA) where: Base-Base interactions energy: -1525.453 where: short stacking energy: -644.891 Base-Backbone interact. energy: 2.146 local terms energy: -657.564348 where: bonds (distance) C4'-P energy: -134.683 bonds (distance) P-C4' energy: -129.991 flat angles C4'-P-C4' energy: -143.522 flat angles P-C4'-P energy: -84.570 tors. eta vs tors. theta energy: -164.799 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: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2033.367778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.367778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.367778 (E_RNA) where: Base-Base interactions energy: -1414.178 where: short stacking energy: -601.092 Base-Backbone interact. energy: -3.799 local terms energy: -615.390767 where: bonds (distance) C4'-P energy: -123.019 bonds (distance) P-C4' energy: -108.220 flat angles C4'-P-C4' energy: -133.537 flat angles P-C4'-P energy: -89.387 tors. eta vs tors. theta energy: -161.228 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: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1876.065977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.065977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.065977 (E_RNA) where: Base-Base interactions energy: -1324.384 where: short stacking energy: -547.531 Base-Backbone interact. energy: -2.591 local terms energy: -549.090954 where: bonds (distance) C4'-P energy: -111.246 bonds (distance) P-C4' energy: -117.031 flat angles C4'-P-C4' energy: -132.424 flat angles P-C4'-P energy: -70.664 tors. eta vs tors. theta energy: -117.726 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: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1801.307972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.307972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.307972 (E_RNA) where: Base-Base interactions energy: -1250.361 where: short stacking energy: -545.872 Base-Backbone interact. energy: -3.085 local terms energy: -547.862687 where: bonds (distance) C4'-P energy: -104.706 bonds (distance) P-C4' energy: -120.291 flat angles C4'-P-C4' energy: -122.096 flat angles P-C4'-P energy: -70.071 tors. eta vs tors. theta energy: -130.699 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: 130 Temperature: 1.200000 Total energy: -1516.363653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.363653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.363653 (E_RNA) where: Base-Base interactions energy: -1011.125 where: short stacking energy: -442.565 Base-Backbone interact. energy: -2.189 local terms energy: -503.050078 where: bonds (distance) C4'-P energy: -112.251 bonds (distance) P-C4' energy: -108.237 flat angles C4'-P-C4' energy: -115.517 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -90.455 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: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1305.173397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.173397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.173397 (E_RNA) where: Base-Base interactions energy: -809.995 where: short stacking energy: -388.777 Base-Backbone interact. energy: -0.519 local terms energy: -494.659874 where: bonds (distance) C4'-P energy: -118.944 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -114.589 flat angles P-C4'-P energy: -77.841 tors. eta vs tors. theta energy: -83.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1024.781559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.781559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.781559 (E_RNA) where: Base-Base interactions energy: -606.944 where: short stacking energy: -280.008 Base-Backbone interact. energy: 0.070 local terms energy: -417.907236 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -109.366 flat angles C4'-P-C4' energy: -107.849 flat angles P-C4'-P energy: -68.837 tors. eta vs tors. theta energy: -31.552 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: 10, replica: 7 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -883.401952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.401952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.401952 (E_RNA) where: Base-Base interactions energy: -500.025 where: short stacking energy: -274.881 Base-Backbone interact. energy: 4.680 local terms energy: -388.057407 where: bonds (distance) C4'-P energy: -103.186 bonds (distance) P-C4' energy: -101.790 flat angles C4'-P-C4' energy: -80.094 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -36.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2302.912111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.912111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.912111 (E_RNA) where: Base-Base interactions energy: -1602.794 where: short stacking energy: -657.486 Base-Backbone interact. energy: 1.107 local terms energy: -701.224693 where: bonds (distance) C4'-P energy: -134.070 bonds (distance) P-C4' energy: -130.765 flat angles C4'-P-C4' energy: -154.982 flat angles P-C4'-P energy: -100.477 tors. eta vs tors. theta energy: -180.931 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2261.277004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.277004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.277004 (E_RNA) where: Base-Base interactions energy: -1562.628 where: short stacking energy: -679.091 Base-Backbone interact. energy: -2.948 local terms energy: -695.700484 where: bonds (distance) C4'-P energy: -121.218 bonds (distance) P-C4' energy: -134.297 flat angles C4'-P-C4' energy: -146.741 flat angles P-C4'-P energy: -96.438 tors. eta vs tors. theta energy: -197.008 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: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2159.158865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.158865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.158865 (E_RNA) where: Base-Base interactions energy: -1505.434 where: short stacking energy: -654.416 Base-Backbone interact. energy: 1.788 local terms energy: -655.512393 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -119.408 flat angles C4'-P-C4' energy: -134.742 flat angles P-C4'-P energy: -104.415 tors. eta vs tors. theta energy: -178.902 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: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2054.301698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.301698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.301698 (E_RNA) where: Base-Base interactions energy: -1425.506 where: short stacking energy: -615.483 Base-Backbone interact. energy: 0.362 local terms energy: -629.157516 where: bonds (distance) C4'-P energy: -111.131 bonds (distance) P-C4' energy: -133.096 flat angles C4'-P-C4' energy: -136.818 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -173.320 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: 131 Temperature: 1.100000 Total energy: -1901.111283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.111283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.111283 (E_RNA) where: Base-Base interactions energy: -1308.937 where: short stacking energy: -541.357 Base-Backbone interact. energy: -2.287 local terms energy: -589.887458 where: bonds (distance) C4'-P energy: -100.612 bonds (distance) P-C4' energy: -122.759 flat angles C4'-P-C4' energy: -134.997 flat angles P-C4'-P energy: -88.283 tors. eta vs tors. theta energy: -143.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1797.989257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.989257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.989257 (E_RNA) where: Base-Base interactions energy: -1206.745 where: short stacking energy: -533.355 Base-Backbone interact. energy: -2.464 local terms energy: -588.780720 where: bonds (distance) C4'-P energy: -119.450 bonds (distance) P-C4' energy: -124.456 flat angles C4'-P-C4' energy: -126.983 flat angles P-C4'-P energy: -86.099 tors. eta vs tors. theta energy: -131.793 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: 131 Temperature: 1.200000 Total energy: -1546.553417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.553417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.553417 (E_RNA) where: Base-Base interactions energy: -1037.277 where: short stacking energy: -450.655 Base-Backbone interact. energy: 0.230 local terms energy: -509.506348 where: bonds (distance) C4'-P energy: -105.606 bonds (distance) P-C4' energy: -118.731 flat angles C4'-P-C4' energy: -111.420 flat angles P-C4'-P energy: -55.737 tors. eta vs tors. theta energy: -118.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1325.783380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.783380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.783380 (E_RNA) where: Base-Base interactions energy: -869.867 where: short stacking energy: -402.713 Base-Backbone interact. energy: 0.847 local terms energy: -456.762846 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -107.320 flat angles C4'-P-C4' energy: -102.585 flat angles P-C4'-P energy: -49.247 tors. eta vs tors. theta energy: -82.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1038.744549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.744549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.744549 (E_RNA) where: Base-Base interactions energy: -608.779 where: short stacking energy: -292.877 Base-Backbone interact. energy: -2.279 local terms energy: -427.686546 where: bonds (distance) C4'-P energy: -112.033 bonds (distance) P-C4' energy: -116.318 flat angles C4'-P-C4' energy: -110.327 flat angles P-C4'-P energy: -40.737 tors. eta vs tors. theta energy: -48.271 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: 7 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -871.998410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.998410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.998410 (E_RNA) where: Base-Base interactions energy: -504.684 where: short stacking energy: -249.021 Base-Backbone interact. energy: 1.180 local terms energy: -368.494262 where: bonds (distance) C4'-P energy: -94.195 bonds (distance) P-C4' energy: -99.274 flat angles C4'-P-C4' energy: -102.505 flat angles P-C4'-P energy: -56.835 tors. eta vs tors. theta energy: -15.685 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: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2297.204031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.204031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.204031 (E_RNA) where: Base-Base interactions energy: -1636.497 where: short stacking energy: -664.458 Base-Backbone interact. energy: 1.076 local terms energy: -661.782585 where: bonds (distance) C4'-P energy: -122.720 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -137.518 flat angles P-C4'-P energy: -92.901 tors. eta vs tors. theta energy: -183.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2253.123858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.123858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.123858 (E_RNA) where: Base-Base interactions energy: -1574.320 where: short stacking energy: -671.842 Base-Backbone interact. energy: -4.127 local terms energy: -674.676755 where: bonds (distance) C4'-P energy: -126.654 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -141.207 flat angles P-C4'-P energy: -92.767 tors. eta vs tors. theta energy: -183.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2147.357285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.357285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.357285 (E_RNA) where: Base-Base interactions energy: -1483.258 where: short stacking energy: -635.014 Base-Backbone interact. energy: -1.157 local terms energy: -662.942488 where: bonds (distance) C4'-P energy: -113.106 bonds (distance) P-C4' energy: -118.594 flat angles C4'-P-C4' energy: -150.764 flat angles P-C4'-P energy: -102.890 tors. eta vs tors. theta energy: -177.588 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: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2048.804615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.804615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.804615 (E_RNA) where: Base-Base interactions energy: -1406.373 where: short stacking energy: -624.588 Base-Backbone interact. energy: -5.663 local terms energy: -636.768930 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -135.421 flat angles C4'-P-C4' energy: -140.144 flat angles P-C4'-P energy: -63.231 tors. eta vs tors. theta energy: -164.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1862.237089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.237089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.237089 (E_RNA) where: Base-Base interactions energy: -1266.664 where: short stacking energy: -571.445 Base-Backbone interact. energy: -0.623 local terms energy: -594.950009 where: bonds (distance) C4'-P energy: -123.239 bonds (distance) P-C4' energy: -115.537 flat angles C4'-P-C4' energy: -141.718 flat angles P-C4'-P energy: -72.264 tors. eta vs tors. theta energy: -142.192 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: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1740.324234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.324234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.324234 (E_RNA) where: Base-Base interactions energy: -1207.686 where: short stacking energy: -519.860 Base-Backbone interact. energy: 5.417 local terms energy: -538.055737 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -108.638 flat angles C4'-P-C4' energy: -139.051 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -117.794 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: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1616.501942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.501942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.501942 (E_RNA) where: Base-Base interactions energy: -1080.901 where: short stacking energy: -476.038 Base-Backbone interact. energy: -1.640 local terms energy: -533.961721 where: bonds (distance) C4'-P energy: -102.881 bonds (distance) P-C4' energy: -101.960 flat angles C4'-P-C4' energy: -127.819 flat angles P-C4'-P energy: -82.298 tors. eta vs tors. theta energy: -119.003 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: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1375.885303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.885303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.885303 (E_RNA) where: Base-Base interactions energy: -862.043 where: short stacking energy: -394.520 Base-Backbone interact. energy: -3.083 local terms energy: -510.759841 where: bonds (distance) C4'-P energy: -101.102 bonds (distance) P-C4' energy: -122.122 flat angles C4'-P-C4' energy: -127.772 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -95.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -961.561458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.561458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.561458 (E_RNA) where: Base-Base interactions energy: -559.670 where: short stacking energy: -277.533 Base-Backbone interact. energy: -2.929 local terms energy: -398.962849 where: bonds (distance) C4'-P energy: -92.859 bonds (distance) P-C4' energy: -116.263 flat angles C4'-P-C4' energy: -106.610 flat angles P-C4'-P energy: -63.369 tors. eta vs tors. theta energy: -19.862 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: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -882.390273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.390273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.390273 (E_RNA) where: Base-Base interactions energy: -552.914 where: short stacking energy: -241.057 Base-Backbone interact. energy: 2.578 local terms energy: -332.053308 where: bonds (distance) C4'-P energy: -96.481 bonds (distance) P-C4' energy: -111.986 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -51.123 tors. eta vs tors. theta energy: 1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2301.437140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.437140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.437140 (E_RNA) where: Base-Base interactions energy: -1637.371 where: short stacking energy: -656.031 Base-Backbone interact. energy: -4.986 local terms energy: -659.080367 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -131.756 flat angles C4'-P-C4' energy: -142.349 flat angles P-C4'-P energy: -83.346 tors. eta vs tors. theta energy: -172.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2281.497241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.497241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.497241 (E_RNA) where: Base-Base interactions energy: -1606.777 where: short stacking energy: -684.518 Base-Backbone interact. energy: -2.931 local terms energy: -671.789232 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -130.500 flat angles C4'-P-C4' energy: -145.278 flat angles P-C4'-P energy: -102.875 tors. eta vs tors. theta energy: -179.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2140.235775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.235775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.235775 (E_RNA) where: Base-Base interactions energy: -1501.639 where: short stacking energy: -631.010 Base-Backbone interact. energy: -2.115 local terms energy: -636.482200 where: bonds (distance) C4'-P energy: -124.715 bonds (distance) P-C4' energy: -128.554 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: -172.571 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: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2023.127893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.127893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.127893 (E_RNA) where: Base-Base interactions energy: -1389.301 where: short stacking energy: -606.485 Base-Backbone interact. energy: 0.949 local terms energy: -634.775811 where: bonds (distance) C4'-P energy: -110.561 bonds (distance) P-C4' energy: -127.960 flat angles C4'-P-C4' energy: -140.378 flat angles P-C4'-P energy: -87.762 tors. eta vs tors. theta energy: -168.115 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: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1898.839554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.839554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.839554 (E_RNA) where: Base-Base interactions energy: -1322.123 where: short stacking energy: -564.846 Base-Backbone interact. energy: -5.844 local terms energy: -570.872407 where: bonds (distance) C4'-P energy: -108.497 bonds (distance) P-C4' energy: -121.119 flat angles C4'-P-C4' energy: -120.276 flat angles P-C4'-P energy: -79.954 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: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1783.004269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.004269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.004269 (E_RNA) where: Base-Base interactions energy: -1243.374 where: short stacking energy: -525.166 Base-Backbone interact. energy: -4.612 local terms energy: -535.017523 where: bonds (distance) C4'-P energy: -112.390 bonds (distance) P-C4' energy: -89.852 flat angles C4'-P-C4' energy: -123.410 flat angles P-C4'-P energy: -73.660 tors. eta vs tors. theta energy: -135.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1599.314149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.314149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.314149 (E_RNA) where: Base-Base interactions energy: -1051.056 where: short stacking energy: -453.189 Base-Backbone interact. energy: 3.290 local terms energy: -551.547346 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -116.039 flat angles C4'-P-C4' energy: -135.425 flat angles P-C4'-P energy: -90.439 tors. eta vs tors. theta energy: -105.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1316.658975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.658975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.658975 (E_RNA) where: Base-Base interactions energy: -851.293 where: short stacking energy: -405.082 Base-Backbone interact. energy: -1.585 local terms energy: -463.780774 where: bonds (distance) C4'-P energy: -107.317 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -103.626 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -85.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1005.244045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.244045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.244045 (E_RNA) where: Base-Base interactions energy: -570.359 where: short stacking energy: -289.491 Base-Backbone interact. energy: 5.982 local terms energy: -440.867291 where: bonds (distance) C4'-P energy: -121.657 bonds (distance) P-C4' energy: -110.052 flat angles C4'-P-C4' energy: -101.477 flat angles P-C4'-P energy: -70.769 tors. eta vs tors. theta energy: -36.912 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: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -901.267876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.267876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.267876 (E_RNA) where: Base-Base interactions energy: -543.239 where: short stacking energy: -260.008 Base-Backbone interact. energy: 5.584 local terms energy: -363.613395 where: bonds (distance) C4'-P energy: -93.889 bonds (distance) P-C4' energy: -99.305 flat angles C4'-P-C4' energy: -95.348 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: -20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2289.388455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.388455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.388455 (E_RNA) where: Base-Base interactions energy: -1598.825 where: short stacking energy: -667.516 Base-Backbone interact. energy: -3.908 local terms energy: -686.655625 where: bonds (distance) C4'-P energy: -114.550 bonds (distance) P-C4' energy: -134.686 flat angles C4'-P-C4' energy: -158.227 flat angles P-C4'-P energy: -98.400 tors. eta vs tors. theta energy: -180.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2245.536836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.536836 (E_RNA) where: Base-Base interactions energy: -1565.315 where: short stacking energy: -659.996 Base-Backbone interact. energy: 0.210 local terms energy: -680.431784 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -125.775 flat angles C4'-P-C4' energy: -149.314 flat angles P-C4'-P energy: -100.494 tors. eta vs tors. theta energy: -175.804 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: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2143.916818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.916818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.916818 (E_RNA) where: Base-Base interactions energy: -1501.621 where: short stacking energy: -626.294 Base-Backbone interact. energy: -3.499 local terms energy: -638.796276 where: bonds (distance) C4'-P energy: -129.656 bonds (distance) P-C4' energy: -118.115 flat angles C4'-P-C4' energy: -133.229 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -163.187 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: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2042.316582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.316582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.316582 (E_RNA) where: Base-Base interactions energy: -1388.074 where: short stacking energy: -598.340 Base-Backbone interact. energy: -2.986 local terms energy: -651.256782 where: bonds (distance) C4'-P energy: -121.008 bonds (distance) P-C4' energy: -126.535 flat angles C4'-P-C4' energy: -144.263 flat angles P-C4'-P energy: -95.439 tors. eta vs tors. theta energy: -164.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1940.405251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.405251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.405251 (E_RNA) where: Base-Base interactions energy: -1357.348 where: short stacking energy: -548.258 Base-Backbone interact. energy: -5.144 local terms energy: -577.913122 where: bonds (distance) C4'-P energy: -122.179 bonds (distance) P-C4' energy: -116.607 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -130.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1839.746656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.746656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.746656 (E_RNA) where: Base-Base interactions energy: -1272.991 where: short stacking energy: -540.585 Base-Backbone interact. energy: -4.093 local terms energy: -562.662849 where: bonds (distance) C4'-P energy: -106.502 bonds (distance) P-C4' energy: -104.072 flat angles C4'-P-C4' energy: -127.705 flat angles P-C4'-P energy: -78.369 tors. eta vs tors. theta energy: -146.015 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: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1558.984274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.984274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.984274 (E_RNA) where: Base-Base interactions energy: -1079.884 where: short stacking energy: -474.189 Base-Backbone interact. energy: 4.874 local terms energy: -483.973765 where: bonds (distance) C4'-P energy: -86.501 bonds (distance) P-C4' energy: -114.151 flat angles C4'-P-C4' energy: -119.235 flat angles P-C4'-P energy: -61.755 tors. eta vs tors. theta energy: -102.333 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: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1334.610466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.610466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.610466 (E_RNA) where: Base-Base interactions energy: -856.551 where: short stacking energy: -419.407 Base-Backbone interact. energy: -0.489 local terms energy: -477.571295 where: bonds (distance) C4'-P energy: -110.015 bonds (distance) P-C4' energy: -116.796 flat angles C4'-P-C4' energy: -112.554 flat angles P-C4'-P energy: -59.277 tors. eta vs tors. theta energy: -78.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -991.172283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.172283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.172283 (E_RNA) where: Base-Base interactions energy: -607.756 where: short stacking energy: -290.964 Base-Backbone interact. energy: -2.799 local terms energy: -380.617074 where: bonds (distance) C4'-P energy: -117.810 bonds (distance) P-C4' energy: -109.195 flat angles C4'-P-C4' energy: -101.961 flat angles P-C4'-P energy: -37.124 tors. eta vs tors. theta energy: -14.526 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: 7 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1004.387733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.387733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.387733 (E_RNA) where: Base-Base interactions energy: -625.214 where: short stacking energy: -304.960 Base-Backbone interact. energy: 3.029 local terms energy: -382.203300 where: bonds (distance) C4'-P energy: -102.061 bonds (distance) P-C4' energy: -104.795 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -62.613 tors. eta vs tors. theta energy: -20.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2317.884630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.884630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.884630 (E_RNA) where: Base-Base interactions energy: -1596.279 where: short stacking energy: -662.568 Base-Backbone interact. energy: -1.625 local terms energy: -719.981029 where: bonds (distance) C4'-P energy: -136.398 bonds (distance) P-C4' energy: -152.782 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -99.342 tors. eta vs tors. theta energy: -182.813 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: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2261.016940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.016940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.016940 (E_RNA) where: Base-Base interactions energy: -1566.417 where: short stacking energy: -688.308 Base-Backbone interact. energy: -2.205 local terms energy: -692.394768 where: bonds (distance) C4'-P energy: -124.427 bonds (distance) P-C4' energy: -132.150 flat angles C4'-P-C4' energy: -147.078 flat angles P-C4'-P energy: -95.922 tors. eta vs tors. theta energy: -192.818 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: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2125.092021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.092021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.092021 (E_RNA) where: Base-Base interactions energy: -1465.122 where: short stacking energy: -620.229 Base-Backbone interact. energy: -2.481 local terms energy: -657.488250 where: bonds (distance) C4'-P energy: -127.735 bonds (distance) P-C4' energy: -132.456 flat angles C4'-P-C4' energy: -148.295 flat angles P-C4'-P energy: -84.622 tors. eta vs tors. theta energy: -164.379 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2006.277111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.277111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.277111 (E_RNA) where: Base-Base interactions energy: -1372.668 where: short stacking energy: -584.169 Base-Backbone interact. energy: 1.395 local terms energy: -635.004379 where: bonds (distance) C4'-P energy: -131.188 bonds (distance) P-C4' energy: -115.642 flat angles C4'-P-C4' energy: -144.904 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -163.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1961.228381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.228381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.228381 (E_RNA) where: Base-Base interactions energy: -1364.013 where: short stacking energy: -541.356 Base-Backbone interact. energy: -4.172 local terms energy: -593.043824 where: bonds (distance) C4'-P energy: -124.554 bonds (distance) P-C4' energy: -110.886 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -73.602 tors. eta vs tors. theta energy: -149.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1822.290689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.290689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.290689 (E_RNA) where: Base-Base interactions energy: -1247.867 where: short stacking energy: -535.667 Base-Backbone interact. energy: -0.243 local terms energy: -574.181409 where: bonds (distance) C4'-P energy: -121.876 bonds (distance) P-C4' energy: -117.629 flat angles C4'-P-C4' energy: -137.449 flat angles P-C4'-P energy: -87.848 tors. eta vs tors. theta energy: -109.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1535.716594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.716594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.716594 (E_RNA) where: Base-Base interactions energy: -1016.793 where: short stacking energy: -451.076 Base-Backbone interact. energy: 1.319 local terms energy: -520.243125 where: bonds (distance) C4'-P energy: -125.832 bonds (distance) P-C4' energy: -114.319 flat angles C4'-P-C4' energy: -104.127 flat angles P-C4'-P energy: -79.632 tors. eta vs tors. theta energy: -96.333 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: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1334.063540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.063540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.063540 (E_RNA) where: Base-Base interactions energy: -881.463 where: short stacking energy: -434.725 Base-Backbone interact. energy: 2.584 local terms energy: -455.184964 where: bonds (distance) C4'-P energy: -85.797 bonds (distance) P-C4' energy: -117.964 flat angles C4'-P-C4' energy: -105.181 flat angles P-C4'-P energy: -67.094 tors. eta vs tors. theta energy: -79.150 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: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -990.475458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.475458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.475458 (E_RNA) where: Base-Base interactions energy: -604.644 where: short stacking energy: -312.870 Base-Backbone interact. energy: -2.801 local terms energy: -383.030509 where: bonds (distance) C4'-P energy: -88.907 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -123.173 flat angles P-C4'-P energy: -41.658 tors. eta vs tors. theta energy: -34.377 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: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -972.291586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.291586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.291586 (E_RNA) where: Base-Base interactions energy: -573.461 where: short stacking energy: -278.991 Base-Backbone interact. energy: -0.750 local terms energy: -398.080852 where: bonds (distance) C4'-P energy: -91.445 bonds (distance) P-C4' energy: -115.288 flat angles C4'-P-C4' energy: -102.616 flat angles P-C4'-P energy: -65.353 tors. eta vs tors. theta energy: -23.379 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: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2308.184957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.184957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.184957 (E_RNA) where: Base-Base interactions energy: -1608.453 where: short stacking energy: -669.707 Base-Backbone interact. energy: 1.743 local terms energy: -701.475001 where: bonds (distance) C4'-P energy: -125.889 bonds (distance) P-C4' energy: -140.153 flat angles C4'-P-C4' energy: -151.414 flat angles P-C4'-P energy: -96.691 tors. eta vs tors. theta energy: -187.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2235.587508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.587508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.587508 (E_RNA) where: Base-Base interactions energy: -1567.016 where: short stacking energy: -647.138 Base-Backbone interact. energy: -4.307 local terms energy: -664.264584 where: bonds (distance) C4'-P energy: -108.489 bonds (distance) P-C4' energy: -130.289 flat angles C4'-P-C4' energy: -147.998 flat angles P-C4'-P energy: -90.745 tors. eta vs tors. theta energy: -186.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2121.291116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.291116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.291116 (E_RNA) where: Base-Base interactions energy: -1450.553 where: short stacking energy: -644.791 Base-Backbone interact. energy: -0.704 local terms energy: -670.034950 where: bonds (distance) C4'-P energy: -125.174 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -140.429 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -174.193 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: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1965.517195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.517195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.517195 (E_RNA) where: Base-Base interactions energy: -1340.845 where: short stacking energy: -594.009 Base-Backbone interact. energy: 2.643 local terms energy: -627.315152 where: bonds (distance) C4'-P energy: -130.855 bonds (distance) P-C4' energy: -129.555 flat angles C4'-P-C4' energy: -133.604 flat angles P-C4'-P energy: -70.146 tors. eta vs tors. theta energy: -163.155 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: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1954.223451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.223451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.223451 (E_RNA) where: Base-Base interactions energy: -1369.341 where: short stacking energy: -556.724 Base-Backbone interact. energy: -1.333 local terms energy: -583.549228 where: bonds (distance) C4'-P energy: -106.599 bonds (distance) P-C4' energy: -126.974 flat angles C4'-P-C4' energy: -124.731 flat angles P-C4'-P energy: -79.991 tors. eta vs tors. theta energy: -145.254 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: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1795.569590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.569590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.569590 (E_RNA) where: Base-Base interactions energy: -1243.794 where: short stacking energy: -539.662 Base-Backbone interact. energy: -1.561 local terms energy: -550.214825 where: bonds (distance) C4'-P energy: -103.495 bonds (distance) P-C4' energy: -106.552 flat angles C4'-P-C4' energy: -126.738 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -142.000 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: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1564.086609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.086609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.086609 (E_RNA) where: Base-Base interactions energy: -1024.660 where: short stacking energy: -482.709 Base-Backbone interact. energy: -2.642 local terms energy: -536.784410 where: bonds (distance) C4'-P energy: -119.873 bonds (distance) P-C4' energy: -103.863 flat angles C4'-P-C4' energy: -120.464 flat angles P-C4'-P energy: -80.715 tors. eta vs tors. theta energy: -111.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1323.912862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.912862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.912862 (E_RNA) where: Base-Base interactions energy: -885.492 where: short stacking energy: -407.190 Base-Backbone interact. energy: 3.921 local terms energy: -442.342090 where: bonds (distance) C4'-P energy: -103.399 bonds (distance) P-C4' energy: -99.745 flat angles C4'-P-C4' energy: -99.633 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: -87.205 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1101.805937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.805937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.805937 (E_RNA) where: Base-Base interactions energy: -664.121 where: short stacking energy: -340.033 Base-Backbone interact. energy: -2.233 local terms energy: -435.452677 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -101.339 flat angles C4'-P-C4' energy: -113.014 flat angles P-C4'-P energy: -52.669 tors. eta vs tors. theta energy: -58.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -895.463226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.463226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.463226 (E_RNA) where: Base-Base interactions energy: -533.478 where: short stacking energy: -264.387 Base-Backbone interact. energy: 1.223 local terms energy: -363.208775 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -99.856 flat angles C4'-P-C4' energy: -86.402 flat angles P-C4'-P energy: -54.700 tors. eta vs tors. theta energy: -20.734 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: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2300.583592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.583592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.583592 (E_RNA) where: Base-Base interactions energy: -1608.704 where: short stacking energy: -658.722 Base-Backbone interact. energy: -1.464 local terms energy: -690.415148 where: bonds (distance) C4'-P energy: -129.865 bonds (distance) P-C4' energy: -134.354 flat angles C4'-P-C4' energy: -152.350 flat angles P-C4'-P energy: -95.821 tors. eta vs tors. theta energy: -178.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2244.918236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.918236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.918236 (E_RNA) where: Base-Base interactions energy: -1567.356 where: short stacking energy: -655.734 Base-Backbone interact. energy: -5.748 local terms energy: -671.813471 where: bonds (distance) C4'-P energy: -132.886 bonds (distance) P-C4' energy: -131.462 flat angles C4'-P-C4' energy: -143.022 flat angles P-C4'-P energy: -77.910 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: 137 Temperature: 1.000000 Total energy: -2151.738858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.738858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.738858 (E_RNA) where: Base-Base interactions energy: -1497.073 where: short stacking energy: -643.427 Base-Backbone interact. energy: -3.433 local terms energy: -651.232686 where: bonds (distance) C4'-P energy: -119.287 bonds (distance) P-C4' energy: -111.859 flat angles C4'-P-C4' energy: -139.944 flat angles P-C4'-P energy: -102.123 tors. eta vs tors. theta energy: -178.019 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: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2024.328181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.328181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.328181 (E_RNA) where: Base-Base interactions energy: -1402.767 where: short stacking energy: -610.079 Base-Backbone interact. energy: -0.425 local terms energy: -621.136481 where: bonds (distance) C4'-P energy: -109.722 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -141.782 flat angles P-C4'-P energy: -84.924 tors. eta vs tors. theta energy: -165.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1955.665479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.665479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.665479 (E_RNA) where: Base-Base interactions energy: -1385.792 where: short stacking energy: -587.391 Base-Backbone interact. energy: -2.907 local terms energy: -566.966651 where: bonds (distance) C4'-P energy: -106.515 bonds (distance) P-C4' energy: -117.175 flat angles C4'-P-C4' energy: -119.993 flat angles P-C4'-P energy: -83.354 tors. eta vs tors. theta energy: -139.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1855.908078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.908078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.908078 (E_RNA) where: Base-Base interactions energy: -1310.970 where: short stacking energy: -556.569 Base-Backbone interact. energy: 2.435 local terms energy: -547.372893 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -136.613 flat angles P-C4'-P energy: -68.748 tors. eta vs tors. theta energy: -134.301 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: 137 Temperature: 1.200000 Total energy: -1558.898169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.898169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.898169 (E_RNA) where: Base-Base interactions energy: -1020.653 where: short stacking energy: -453.433 Base-Backbone interact. energy: -0.185 local terms energy: -538.059944 where: bonds (distance) C4'-P energy: -121.791 bonds (distance) P-C4' energy: -108.622 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -87.401 tors. eta vs tors. theta energy: -111.748 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: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1295.743915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.743915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.743915 (E_RNA) where: Base-Base interactions energy: -812.856 where: short stacking energy: -358.532 Base-Backbone interact. energy: -2.942 local terms energy: -479.945560 where: bonds (distance) C4'-P energy: -120.851 bonds (distance) P-C4' energy: -114.070 flat angles C4'-P-C4' energy: -102.435 flat angles P-C4'-P energy: -77.388 tors. eta vs tors. theta energy: -65.202 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: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -988.450244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.450244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.450244 (E_RNA) where: Base-Base interactions energy: -591.083 where: short stacking energy: -282.781 Base-Backbone interact. energy: 2.991 local terms energy: -400.358106 where: bonds (distance) C4'-P energy: -94.382 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -94.648 flat angles P-C4'-P energy: -56.937 tors. eta vs tors. theta energy: -37.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -863.674983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.674983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.674983 (E_RNA) where: Base-Base interactions energy: -467.158 where: short stacking energy: -234.284 Base-Backbone interact. energy: -2.703 local terms energy: -393.814605 where: bonds (distance) C4'-P energy: -110.769 bonds (distance) P-C4' energy: -102.904 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -50.904 tors. eta vs tors. theta energy: -23.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2302.691599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.691599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.691599 (E_RNA) where: Base-Base interactions energy: -1613.349 where: short stacking energy: -672.388 Base-Backbone interact. energy: -3.079 local terms energy: -686.263000 where: bonds (distance) C4'-P energy: -126.368 bonds (distance) P-C4' energy: -131.193 flat angles C4'-P-C4' energy: -148.671 flat angles P-C4'-P energy: -87.751 tors. eta vs tors. theta energy: -192.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2249.401528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.401528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.401528 (E_RNA) where: Base-Base interactions energy: -1579.447 where: short stacking energy: -676.777 Base-Backbone interact. energy: 2.121 local terms energy: -672.074871 where: bonds (distance) C4'-P energy: -112.030 bonds (distance) P-C4' energy: -139.529 flat angles C4'-P-C4' energy: -140.033 flat angles P-C4'-P energy: -100.615 tors. eta vs tors. theta energy: -179.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2106.248120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.248120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.248120 (E_RNA) where: Base-Base interactions energy: -1468.251 where: short stacking energy: -594.288 Base-Backbone interact. energy: -1.546 local terms energy: -636.450873 where: bonds (distance) C4'-P energy: -125.791 bonds (distance) P-C4' energy: -122.478 flat angles C4'-P-C4' energy: -145.598 flat angles P-C4'-P energy: -96.703 tors. eta vs tors. theta energy: -145.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1981.211514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.211514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.211514 (E_RNA) where: Base-Base interactions energy: -1379.025 where: short stacking energy: -578.830 Base-Backbone interact. energy: -5.988 local terms energy: -596.198256 where: bonds (distance) C4'-P energy: -118.980 bonds (distance) P-C4' energy: -117.472 flat angles C4'-P-C4' energy: -124.965 flat angles P-C4'-P energy: -87.549 tors. eta vs tors. theta energy: -147.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1978.094823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.094823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.094823 (E_RNA) where: Base-Base interactions energy: -1395.421 where: short stacking energy: -576.580 Base-Backbone interact. energy: 2.917 local terms energy: -585.590898 where: bonds (distance) C4'-P energy: -116.291 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -75.436 tors. eta vs tors. theta energy: -158.614 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: 138 Temperature: 1.150000 Total energy: -1819.991206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.991206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.991206 (E_RNA) where: Base-Base interactions energy: -1238.926 where: short stacking energy: -529.689 Base-Backbone interact. energy: -0.721 local terms energy: -580.344832 where: bonds (distance) C4'-P energy: -111.729 bonds (distance) P-C4' energy: -114.000 flat angles C4'-P-C4' energy: -128.686 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -140.116 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: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1465.204910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.204910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.204910 (E_RNA) where: Base-Base interactions energy: -915.120 where: short stacking energy: -446.340 Base-Backbone interact. energy: 1.592 local terms energy: -551.676581 where: bonds (distance) C4'-P energy: -118.593 bonds (distance) P-C4' energy: -117.474 flat angles C4'-P-C4' energy: -131.184 flat angles P-C4'-P energy: -72.080 tors. eta vs tors. theta energy: -112.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1297.020655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.020655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.020655 (E_RNA) where: Base-Base interactions energy: -846.224 where: short stacking energy: -399.870 Base-Backbone interact. energy: 5.617 local terms energy: -456.413227 where: bonds (distance) C4'-P energy: -89.733 bonds (distance) P-C4' energy: -106.627 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -69.931 tors. eta vs tors. theta energy: -81.747 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: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1046.113860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.113860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.113860 (E_RNA) where: Base-Base interactions energy: -630.921 where: short stacking energy: -322.033 Base-Backbone interact. energy: -0.064 local terms energy: -415.128841 where: bonds (distance) C4'-P energy: -101.549 bonds (distance) P-C4' energy: -99.908 flat angles C4'-P-C4' energy: -95.585 flat angles P-C4'-P energy: -66.073 tors. eta vs tors. theta energy: -52.014 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: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -824.038046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.038046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.038046 (E_RNA) where: Base-Base interactions energy: -435.285 where: short stacking energy: -231.105 Base-Backbone interact. energy: 1.582 local terms energy: -390.335242 where: bonds (distance) C4'-P energy: -104.830 bonds (distance) P-C4' energy: -110.274 flat angles C4'-P-C4' energy: -107.679 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2331.285094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.285094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.285094 (E_RNA) where: Base-Base interactions energy: -1621.715 where: short stacking energy: -697.271 Base-Backbone interact. energy: -2.884 local terms energy: -706.685896 where: bonds (distance) C4'-P energy: -135.633 bonds (distance) P-C4' energy: -129.807 flat angles C4'-P-C4' energy: -148.699 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -194.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2249.734640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.734640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.734640 (E_RNA) where: Base-Base interactions energy: -1578.927 where: short stacking energy: -662.051 Base-Backbone interact. energy: 0.042 local terms energy: -670.849681 where: bonds (distance) C4'-P energy: -132.753 bonds (distance) P-C4' energy: -125.077 flat angles C4'-P-C4' energy: -134.888 flat angles P-C4'-P energy: -99.373 tors. eta vs tors. theta energy: -178.759 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: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2147.571601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.571601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.571601 (E_RNA) where: Base-Base interactions energy: -1511.055 where: short stacking energy: -634.389 Base-Backbone interact. energy: 0.097 local terms energy: -636.613877 where: bonds (distance) C4'-P energy: -109.206 bonds (distance) P-C4' energy: -132.797 flat angles C4'-P-C4' energy: -144.906 flat angles P-C4'-P energy: -85.145 tors. eta vs tors. theta energy: -164.559 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: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2038.108415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.108415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.108415 (E_RNA) where: Base-Base interactions energy: -1416.840 where: short stacking energy: -570.292 Base-Backbone interact. energy: 1.903 local terms energy: -623.171582 where: bonds (distance) C4'-P energy: -119.548 bonds (distance) P-C4' energy: -122.156 flat angles C4'-P-C4' energy: -133.766 flat angles P-C4'-P energy: -94.212 tors. eta vs tors. theta energy: -153.490 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: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1940.068058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.068058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.068058 (E_RNA) where: Base-Base interactions energy: -1345.016 where: short stacking energy: -571.184 Base-Backbone interact. energy: -2.175 local terms energy: -592.877286 where: bonds (distance) C4'-P energy: -104.577 bonds (distance) P-C4' energy: -115.100 flat angles C4'-P-C4' energy: -141.449 flat angles P-C4'-P energy: -80.782 tors. eta vs tors. theta energy: -150.969 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: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1841.843631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.843631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.843631 (E_RNA) where: Base-Base interactions energy: -1240.554 where: short stacking energy: -527.888 Base-Backbone interact. energy: -0.673 local terms energy: -600.617108 where: bonds (distance) C4'-P energy: -123.604 bonds (distance) P-C4' energy: -127.445 flat angles C4'-P-C4' energy: -137.765 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -134.838 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: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1546.336013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.336013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.336013 (E_RNA) where: Base-Base interactions energy: -1010.792 where: short stacking energy: -462.513 Base-Backbone interact. energy: -1.604 local terms energy: -533.939864 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -116.719 flat angles C4'-P-C4' energy: -116.216 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -113.005 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: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1345.634902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.634902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.634902 (E_RNA) where: Base-Base interactions energy: -833.956 where: short stacking energy: -422.069 Base-Backbone interact. energy: 2.482 local terms energy: -514.160090 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -99.931 flat angles C4'-P-C4' energy: -118.493 flat angles P-C4'-P energy: -84.417 tors. eta vs tors. theta energy: -85.731 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: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1120.099662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.099662 (E_RNA) where: Base-Base interactions energy: -690.839 where: short stacking energy: -345.206 Base-Backbone interact. energy: -0.102 local terms energy: -429.158389 where: bonds (distance) C4'-P energy: -81.526 bonds (distance) P-C4' energy: -127.085 flat angles C4'-P-C4' energy: -97.654 flat angles P-C4'-P energy: -71.920 tors. eta vs tors. theta energy: -50.973 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: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -796.277405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.277405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.277405 (E_RNA) where: Base-Base interactions energy: -459.060 where: short stacking energy: -219.222 Base-Backbone interact. energy: 0.743 local terms energy: -337.960436 where: bonds (distance) C4'-P energy: -95.071 bonds (distance) P-C4' energy: -105.615 flat angles C4'-P-C4' energy: -102.652 flat angles P-C4'-P energy: -34.348 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2334.669118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.669118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.669118 (E_RNA) where: Base-Base interactions energy: -1640.499 where: short stacking energy: -702.244 Base-Backbone interact. energy: -0.378 local terms energy: -693.792262 where: bonds (distance) C4'-P energy: -123.833 bonds (distance) P-C4' energy: -138.853 flat angles C4'-P-C4' energy: -140.256 flat angles P-C4'-P energy: -93.537 tors. eta vs tors. theta energy: -197.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2223.768090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.768090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.768090 (E_RNA) where: Base-Base interactions energy: -1547.520 where: short stacking energy: -634.112 Base-Backbone interact. energy: -0.881 local terms energy: -675.367254 where: bonds (distance) C4'-P energy: -125.895 bonds (distance) P-C4' energy: -132.863 flat angles C4'-P-C4' energy: -146.864 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -172.366 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: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2147.713650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.713650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.713650 (E_RNA) where: Base-Base interactions energy: -1508.791 where: short stacking energy: -625.240 Base-Backbone interact. energy: 3.776 local terms energy: -642.698387 where: bonds (distance) C4'-P energy: -120.363 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -147.310 flat angles P-C4'-P energy: -85.592 tors. eta vs tors. theta energy: -161.409 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: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2043.633178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.633178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.633178 (E_RNA) where: Base-Base interactions energy: -1417.727 where: short stacking energy: -591.907 Base-Backbone interact. energy: 1.915 local terms energy: -627.821508 where: bonds (distance) C4'-P energy: -129.849 bonds (distance) P-C4' energy: -124.345 flat angles C4'-P-C4' energy: -140.532 flat angles P-C4'-P energy: -83.152 tors. eta vs tors. theta energy: -149.944 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: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2004.068328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.068328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.068328 (E_RNA) where: Base-Base interactions energy: -1412.936 where: short stacking energy: -584.249 Base-Backbone interact. energy: -1.945 local terms energy: -589.187674 where: bonds (distance) C4'-P energy: -107.156 bonds (distance) P-C4' energy: -114.766 flat angles C4'-P-C4' energy: -135.998 flat angles P-C4'-P energy: -79.352 tors. eta vs tors. theta energy: -151.916 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: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1824.330890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.330890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.330890 (E_RNA) where: Base-Base interactions energy: -1236.110 where: short stacking energy: -544.071 Base-Backbone interact. energy: -1.637 local terms energy: -586.583372 where: bonds (distance) C4'-P energy: -125.569 bonds (distance) P-C4' energy: -106.908 flat angles C4'-P-C4' energy: -133.426 flat angles P-C4'-P energy: -87.172 tors. eta vs tors. theta energy: -133.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1599.565754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.565754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.565754 (E_RNA) where: Base-Base interactions energy: -1065.559 where: short stacking energy: -444.281 Base-Backbone interact. energy: -3.168 local terms energy: -530.839071 where: bonds (distance) C4'-P energy: -123.874 bonds (distance) P-C4' energy: -115.661 flat angles C4'-P-C4' energy: -108.927 flat angles P-C4'-P energy: -79.698 tors. eta vs tors. theta energy: -102.680 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: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1376.606315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.606315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.606315 (E_RNA) where: Base-Base interactions energy: -888.437 where: short stacking energy: -413.849 Base-Backbone interact. energy: -1.526 local terms energy: -486.644130 where: bonds (distance) C4'-P energy: -104.100 bonds (distance) P-C4' energy: -117.961 flat angles C4'-P-C4' energy: -115.250 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -96.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1091.734960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.734960 (E_RNA) where: Base-Base interactions energy: -660.186 where: short stacking energy: -337.116 Base-Backbone interact. energy: -2.528 local terms energy: -429.020559 where: bonds (distance) C4'-P energy: -102.213 bonds (distance) P-C4' energy: -99.673 flat angles C4'-P-C4' energy: -105.262 flat angles P-C4'-P energy: -71.475 tors. eta vs tors. theta energy: -50.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -813.531993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.531993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.531993 (E_RNA) where: Base-Base interactions energy: -444.145 where: short stacking energy: -233.746 Base-Backbone interact. energy: 1.279 local terms energy: -370.665387 where: bonds (distance) C4'-P energy: -114.239 bonds (distance) P-C4' energy: -98.255 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -45.120 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2322.151596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.151596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.151596 (E_RNA) where: Base-Base interactions energy: -1600.101 where: short stacking energy: -684.568 Base-Backbone interact. energy: -6.362 local terms energy: -715.688957 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -135.088 flat angles C4'-P-C4' energy: -154.412 flat angles P-C4'-P energy: -105.231 tors. eta vs tors. theta energy: -193.375 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: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2243.061702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.061702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.061702 (E_RNA) where: Base-Base interactions energy: -1567.910 where: short stacking energy: -645.660 Base-Backbone interact. energy: -3.604 local terms energy: -671.548240 where: bonds (distance) C4'-P energy: -113.115 bonds (distance) P-C4' energy: -124.375 flat angles C4'-P-C4' energy: -148.803 flat angles P-C4'-P energy: -105.922 tors. eta vs tors. theta energy: -179.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2163.921646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.921646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.921646 (E_RNA) where: Base-Base interactions energy: -1514.730 where: short stacking energy: -629.490 Base-Backbone interact. energy: -4.387 local terms energy: -644.804299 where: bonds (distance) C4'-P energy: -123.389 bonds (distance) P-C4' energy: -124.665 flat angles C4'-P-C4' energy: -138.368 flat angles P-C4'-P energy: -92.573 tors. eta vs tors. theta energy: -165.809 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: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1999.144227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.144227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.144227 (E_RNA) where: Base-Base interactions energy: -1390.832 where: short stacking energy: -576.656 Base-Backbone interact. energy: -3.312 local terms energy: -605.000350 where: bonds (distance) C4'-P energy: -120.658 bonds (distance) P-C4' energy: -119.783 flat angles C4'-P-C4' energy: -128.304 flat angles P-C4'-P energy: -92.187 tors. eta vs tors. theta energy: -144.068 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: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2002.461407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.461407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.461407 (E_RNA) where: Base-Base interactions energy: -1374.783 where: short stacking energy: -584.383 Base-Backbone interact. energy: -2.793 local terms energy: -624.885007 where: bonds (distance) C4'-P energy: -112.051 bonds (distance) P-C4' energy: -114.485 flat angles C4'-P-C4' energy: -146.496 flat angles P-C4'-P energy: -89.254 tors. eta vs tors. theta energy: -162.599 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: 6, replica: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1785.689500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.689500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.689500 (E_RNA) where: Base-Base interactions energy: -1198.836 where: short stacking energy: -518.405 Base-Backbone interact. energy: -0.239 local terms energy: -586.614316 where: bonds (distance) C4'-P energy: -113.056 bonds (distance) P-C4' energy: -133.384 flat angles C4'-P-C4' energy: -129.489 flat angles P-C4'-P energy: -88.738 tors. eta vs tors. theta energy: -121.948 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: 7, replica: 8 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1582.786038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.786038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.786038 (E_RNA) where: Base-Base interactions energy: -1060.484 where: short stacking energy: -487.202 Base-Backbone interact. energy: 6.396 local terms energy: -528.698290 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -114.179 flat angles C4'-P-C4' energy: -121.275 flat angles P-C4'-P energy: -68.483 tors. eta vs tors. theta energy: -105.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1352.739318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.739318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.739318 (E_RNA) where: Base-Base interactions energy: -855.350 where: short stacking energy: -398.044 Base-Backbone interact. energy: -3.445 local terms energy: -493.944115 where: bonds (distance) C4'-P energy: -115.230 bonds (distance) P-C4' energy: -112.555 flat angles C4'-P-C4' energy: -115.507 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -77.370 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: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1087.827961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.827961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.827961 (E_RNA) where: Base-Base interactions energy: -647.495 where: short stacking energy: -320.114 Base-Backbone interact. energy: -2.068 local terms energy: -438.265261 where: bonds (distance) C4'-P energy: -118.537 bonds (distance) P-C4' energy: -120.525 flat angles C4'-P-C4' energy: -91.085 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -43.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -777.585660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.585660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.585660 (E_RNA) where: Base-Base interactions energy: -428.784 where: short stacking energy: -223.551 Base-Backbone interact. energy: -2.436 local terms energy: -346.365635 where: bonds (distance) C4'-P energy: -84.541 bonds (distance) P-C4' energy: -108.385 flat angles C4'-P-C4' energy: -98.360 flat angles P-C4'-P energy: -54.455 tors. eta vs tors. theta energy: -0.624 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: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2299.650319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.650319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.650319 (E_RNA) where: Base-Base interactions energy: -1609.197 where: short stacking energy: -674.313 Base-Backbone interact. energy: -4.722 local terms energy: -685.732064 where: bonds (distance) C4'-P energy: -132.431 bonds (distance) P-C4' energy: -126.808 flat angles C4'-P-C4' energy: -145.968 flat angles P-C4'-P energy: -99.505 tors. eta vs tors. theta energy: -181.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2293.454943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.454943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.454943 (E_RNA) where: Base-Base interactions energy: -1599.227 where: short stacking energy: -660.913 Base-Backbone interact. energy: -2.348 local terms energy: -691.880518 where: bonds (distance) C4'-P energy: -130.450 bonds (distance) P-C4' energy: -137.060 flat angles C4'-P-C4' energy: -150.629 flat angles P-C4'-P energy: -93.429 tors. eta vs tors. theta energy: -180.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2155.579929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.579929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.579929 (E_RNA) where: Base-Base interactions energy: -1497.206 where: short stacking energy: -620.083 Base-Backbone interact. energy: -3.239 local terms energy: -655.135200 where: bonds (distance) C4'-P energy: -116.625 bonds (distance) P-C4' energy: -130.994 flat angles C4'-P-C4' energy: -144.952 flat angles P-C4'-P energy: -105.832 tors. eta vs tors. theta energy: -156.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2025.833586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.833586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.833586 (E_RNA) where: Base-Base interactions energy: -1440.348 where: short stacking energy: -601.199 Base-Backbone interact. energy: -0.247 local terms energy: -585.238087 where: bonds (distance) C4'-P energy: -120.034 bonds (distance) P-C4' energy: -117.939 flat angles C4'-P-C4' energy: -116.702 flat angles P-C4'-P energy: -77.900 tors. eta vs tors. theta energy: -152.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1968.957110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.957110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.957110 (E_RNA) where: Base-Base interactions energy: -1377.087 where: short stacking energy: -585.639 Base-Backbone interact. energy: -2.472 local terms energy: -589.397255 where: bonds (distance) C4'-P energy: -106.173 bonds (distance) P-C4' energy: -111.065 flat angles C4'-P-C4' energy: -138.000 flat angles P-C4'-P energy: -90.743 tors. eta vs tors. theta energy: -143.417 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: 142 Temperature: 1.150000 Total energy: -1871.397426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.397426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.397426 (E_RNA) where: Base-Base interactions energy: -1264.942 where: short stacking energy: -553.164 Base-Backbone interact. energy: 0.625 local terms energy: -607.079537 where: bonds (distance) C4'-P energy: -114.107 bonds (distance) P-C4' energy: -132.786 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -140.921 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: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1633.540883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.540883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.540883 (E_RNA) where: Base-Base interactions energy: -1125.294 where: short stacking energy: -489.106 Base-Backbone interact. energy: -1.920 local terms energy: -506.327111 where: bonds (distance) C4'-P energy: -99.652 bonds (distance) P-C4' energy: -115.871 flat angles C4'-P-C4' energy: -118.583 flat angles P-C4'-P energy: -64.163 tors. eta vs tors. theta energy: -108.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1363.298740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.298740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.298740 (E_RNA) where: Base-Base interactions energy: -871.945 where: short stacking energy: -401.014 Base-Backbone interact. energy: -2.736 local terms energy: -488.616967 where: bonds (distance) C4'-P energy: -101.038 bonds (distance) P-C4' energy: -102.121 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: -92.685 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: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -993.087569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.087569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.087569 (E_RNA) where: Base-Base interactions energy: -567.220 where: short stacking energy: -295.742 Base-Backbone interact. energy: 2.358 local terms energy: -428.225820 where: bonds (distance) C4'-P energy: -108.768 bonds (distance) P-C4' energy: -120.259 flat angles C4'-P-C4' energy: -105.679 flat angles P-C4'-P energy: -61.003 tors. eta vs tors. theta energy: -32.518 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -770.064040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.064040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.064040 (E_RNA) where: Base-Base interactions energy: -415.899 where: short stacking energy: -194.848 Base-Backbone interact. energy: -1.172 local terms energy: -352.993475 where: bonds (distance) C4'-P energy: -98.884 bonds (distance) P-C4' energy: -102.595 flat angles C4'-P-C4' energy: -102.230 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: 3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2279.103453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.103453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.103453 (E_RNA) where: Base-Base interactions energy: -1594.223 where: short stacking energy: -661.196 Base-Backbone interact. energy: -0.719 local terms energy: -684.162075 where: bonds (distance) C4'-P energy: -121.575 bonds (distance) P-C4' energy: -135.545 flat angles C4'-P-C4' energy: -144.264 flat angles P-C4'-P energy: -98.640 tors. eta vs tors. theta energy: -184.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2251.738438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.738438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.738438 (E_RNA) where: Base-Base interactions energy: -1592.350 where: short stacking energy: -668.408 Base-Backbone interact. energy: -1.967 local terms energy: -657.421596 where: bonds (distance) C4'-P energy: -115.061 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -151.511 flat angles P-C4'-P energy: -87.663 tors. eta vs tors. theta energy: -184.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2155.030437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.030437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.030437 (E_RNA) where: Base-Base interactions energy: -1510.159 where: short stacking energy: -629.100 Base-Backbone interact. energy: -1.353 local terms energy: -643.518315 where: bonds (distance) C4'-P energy: -117.744 bonds (distance) P-C4' energy: -136.080 flat angles C4'-P-C4' energy: -135.529 flat angles P-C4'-P energy: -89.306 tors. eta vs tors. theta energy: -164.860 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: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2007.563316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.563316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.563316 (E_RNA) where: Base-Base interactions energy: -1413.331 where: short stacking energy: -572.560 Base-Backbone interact. energy: -3.604 local terms energy: -590.628457 where: bonds (distance) C4'-P energy: -105.059 bonds (distance) P-C4' energy: -127.746 flat angles C4'-P-C4' energy: -130.345 flat angles P-C4'-P energy: -90.934 tors. eta vs tors. theta energy: -136.544 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: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2007.017381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.017381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.017381 (E_RNA) where: Base-Base interactions energy: -1395.395 where: short stacking energy: -577.142 Base-Backbone interact. energy: -0.829 local terms energy: -610.793467 where: bonds (distance) C4'-P energy: -103.500 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -130.172 flat angles P-C4'-P energy: -96.442 tors. eta vs tors. theta energy: -162.373 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: 1 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1854.188077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.188077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.188077 (E_RNA) where: Base-Base interactions energy: -1275.889 where: short stacking energy: -560.435 Base-Backbone interact. energy: -0.482 local terms energy: -577.817101 where: bonds (distance) C4'-P energy: -108.828 bonds (distance) P-C4' energy: -121.787 flat angles C4'-P-C4' energy: -131.606 flat angles P-C4'-P energy: -77.857 tors. eta vs tors. theta energy: -137.740 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: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1720.058939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.058939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.058939 (E_RNA) where: Base-Base interactions energy: -1194.503 where: short stacking energy: -532.060 Base-Backbone interact. energy: -1.070 local terms energy: -524.486497 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -108.353 flat angles C4'-P-C4' energy: -111.374 flat angles P-C4'-P energy: -83.628 tors. eta vs tors. theta energy: -135.741 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: 8, replica: 2 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1340.120267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.120267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.120267 (E_RNA) where: Base-Base interactions energy: -860.909 where: short stacking energy: -378.591 Base-Backbone interact. energy: -0.560 local terms energy: -478.651151 where: bonds (distance) C4'-P energy: -104.562 bonds (distance) P-C4' energy: -124.074 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -59.933 tors. eta vs tors. theta energy: -79.753 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: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -992.426796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.426796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.426796 (E_RNA) where: Base-Base interactions energy: -585.506 where: short stacking energy: -283.456 Base-Backbone interact. energy: 2.595 local terms energy: -409.515698 where: bonds (distance) C4'-P energy: -103.792 bonds (distance) P-C4' energy: -123.472 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -22.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -771.051448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.051448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.051448 (E_RNA) where: Base-Base interactions energy: -405.386 where: short stacking energy: -208.052 Base-Backbone interact. energy: -4.905 local terms energy: -360.760136 where: bonds (distance) C4'-P energy: -92.431 bonds (distance) P-C4' energy: -110.492 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -51.103 tors. eta vs tors. theta energy: -3.820 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: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2300.459800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.459800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.459800 (E_RNA) where: Base-Base interactions energy: -1613.104 where: short stacking energy: -669.542 Base-Backbone interact. energy: -4.252 local terms energy: -683.104435 where: bonds (distance) C4'-P energy: -121.075 bonds (distance) P-C4' energy: -127.993 flat angles C4'-P-C4' energy: -153.197 flat angles P-C4'-P energy: -103.963 tors. eta vs tors. theta energy: -176.876 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2239.020738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.020738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.020738 (E_RNA) where: Base-Base interactions energy: -1603.674 where: short stacking energy: -659.461 Base-Backbone interact. energy: -3.608 local terms energy: -631.739135 where: bonds (distance) C4'-P energy: -103.280 bonds (distance) P-C4' energy: -121.367 flat angles C4'-P-C4' energy: -143.997 flat angles P-C4'-P energy: -80.078 tors. eta vs tors. theta energy: -183.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2138.835469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.835469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.835469 (E_RNA) where: Base-Base interactions energy: -1496.914 where: short stacking energy: -623.988 Base-Backbone interact. energy: -3.842 local terms energy: -638.078748 where: bonds (distance) C4'-P energy: -138.352 bonds (distance) P-C4' energy: -118.459 flat angles C4'-P-C4' energy: -134.560 flat angles P-C4'-P energy: -84.252 tors. eta vs tors. theta energy: -162.457 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: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2101.773800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.773800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.773800 (E_RNA) where: Base-Base interactions energy: -1472.817 where: short stacking energy: -620.332 Base-Backbone interact. energy: 1.422 local terms energy: -630.379458 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -112.935 flat angles C4'-P-C4' energy: -142.999 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -159.448 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: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2017.215520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.215520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.215520 (E_RNA) where: Base-Base interactions energy: -1413.710 where: short stacking energy: -612.487 Base-Backbone interact. energy: -2.485 local terms energy: -601.020800 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -102.210 flat angles C4'-P-C4' energy: -127.651 flat angles P-C4'-P energy: -87.237 tors. eta vs tors. theta energy: -163.522 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: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1832.454480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.454480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.454480 (E_RNA) where: Base-Base interactions energy: -1261.150 where: short stacking energy: -545.184 Base-Backbone interact. energy: -2.148 local terms energy: -569.156938 where: bonds (distance) C4'-P energy: -106.987 bonds (distance) P-C4' energy: -127.124 flat angles C4'-P-C4' energy: -105.106 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -159.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1748.854540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.854540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.854540 (E_RNA) where: Base-Base interactions energy: -1187.820 where: short stacking energy: -531.230 Base-Backbone interact. energy: -3.321 local terms energy: -557.713327 where: bonds (distance) C4'-P energy: -118.984 bonds (distance) P-C4' energy: -96.963 flat angles C4'-P-C4' energy: -122.543 flat angles P-C4'-P energy: -79.291 tors. eta vs tors. theta energy: -139.931 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: 8, replica: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1366.015651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.015651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.015651 (E_RNA) where: Base-Base interactions energy: -904.213 where: short stacking energy: -422.041 Base-Backbone interact. energy: 0.457 local terms energy: -462.259596 where: bonds (distance) C4'-P energy: -99.477 bonds (distance) P-C4' energy: -109.930 flat angles C4'-P-C4' energy: -122.198 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -73.321 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: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1032.660005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.660005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.660005 (E_RNA) where: Base-Base interactions energy: -624.196 where: short stacking energy: -305.812 Base-Backbone interact. energy: 1.735 local terms energy: -410.198704 where: bonds (distance) C4'-P energy: -89.472 bonds (distance) P-C4' energy: -116.140 flat angles C4'-P-C4' energy: -110.273 flat angles P-C4'-P energy: -63.014 tors. eta vs tors. theta energy: -31.300 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: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -800.588538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.588538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.588538 (E_RNA) where: Base-Base interactions energy: -441.250 where: short stacking energy: -232.722 Base-Backbone interact. energy: 2.423 local terms energy: -361.761146 where: bonds (distance) C4'-P energy: -109.679 bonds (distance) P-C4' energy: -97.200 flat angles C4'-P-C4' energy: -89.277 flat angles P-C4'-P energy: -63.500 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2303.841372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.841372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.841372 (E_RNA) where: Base-Base interactions energy: -1589.853 where: short stacking energy: -664.157 Base-Backbone interact. energy: -4.293 local terms energy: -709.695321 where: bonds (distance) C4'-P energy: -136.768 bonds (distance) P-C4' energy: -123.649 flat angles C4'-P-C4' energy: -152.401 flat angles P-C4'-P energy: -115.552 tors. eta vs tors. theta energy: -181.324 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: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2259.822582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.822582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.822582 (E_RNA) where: Base-Base interactions energy: -1560.467 where: short stacking energy: -645.281 Base-Backbone interact. energy: -4.466 local terms energy: -694.889158 where: bonds (distance) C4'-P energy: -134.895 bonds (distance) P-C4' energy: -132.745 flat angles C4'-P-C4' energy: -148.710 flat angles P-C4'-P energy: -99.827 tors. eta vs tors. theta energy: -178.713 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: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2099.962798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.962798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.962798 (E_RNA) where: Base-Base interactions energy: -1481.697 where: short stacking energy: -612.395 Base-Backbone interact. energy: -6.311 local terms energy: -611.955065 where: bonds (distance) C4'-P energy: -117.654 bonds (distance) P-C4' energy: -125.116 flat angles C4'-P-C4' energy: -138.235 flat angles P-C4'-P energy: -84.963 tors. eta vs tors. theta energy: -145.987 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: 145 Temperature: 1.050000 Total energy: -2088.866142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.866142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.866142 (E_RNA) where: Base-Base interactions energy: -1444.556 where: short stacking energy: -585.978 Base-Backbone interact. energy: -3.763 local terms energy: -640.546811 where: bonds (distance) C4'-P energy: -116.388 bonds (distance) P-C4' energy: -129.785 flat angles C4'-P-C4' energy: -142.849 flat angles P-C4'-P energy: -89.411 tors. eta vs tors. theta energy: -162.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1996.439589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.439589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.439589 (E_RNA) where: Base-Base interactions energy: -1437.363 where: short stacking energy: -598.477 Base-Backbone interact. energy: 0.001 local terms energy: -559.076929 where: bonds (distance) C4'-P energy: -124.690 bonds (distance) P-C4' energy: -101.538 flat angles C4'-P-C4' energy: -110.814 flat angles P-C4'-P energy: -85.126 tors. eta vs tors. theta energy: -136.909 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: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1852.087789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.087789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.087789 (E_RNA) where: Base-Base interactions energy: -1255.770 where: short stacking energy: -542.066 Base-Backbone interact. energy: 1.486 local terms energy: -597.803938 where: bonds (distance) C4'-P energy: -107.122 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -129.526 flat angles P-C4'-P energy: -82.191 tors. eta vs tors. theta energy: -151.254 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: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1733.841154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.841154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.841154 (E_RNA) where: Base-Base interactions energy: -1205.610 where: short stacking energy: -509.223 Base-Backbone interact. energy: 0.679 local terms energy: -528.909990 where: bonds (distance) C4'-P energy: -100.407 bonds (distance) P-C4' energy: -118.757 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -63.304 tors. eta vs tors. theta energy: -131.517 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: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1408.796415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.796415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.796415 (E_RNA) where: Base-Base interactions energy: -925.811 where: short stacking energy: -424.406 Base-Backbone interact. energy: -0.308 local terms energy: -482.677159 where: bonds (distance) C4'-P energy: -106.189 bonds (distance) P-C4' energy: -102.548 flat angles C4'-P-C4' energy: -99.235 flat angles P-C4'-P energy: -76.731 tors. eta vs tors. theta energy: -97.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -976.554002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.554002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.554002 (E_RNA) where: Base-Base interactions energy: -586.963 where: short stacking energy: -295.882 Base-Backbone interact. energy: 0.031 local terms energy: -389.622128 where: bonds (distance) C4'-P energy: -93.035 bonds (distance) P-C4' energy: -102.241 flat angles C4'-P-C4' energy: -100.690 flat angles P-C4'-P energy: -65.111 tors. eta vs tors. theta energy: -28.544 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: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -847.042638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.042638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.042638 (E_RNA) where: Base-Base interactions energy: -461.620 where: short stacking energy: -245.992 Base-Backbone interact. energy: -2.028 local terms energy: -383.395111 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -113.536 flat angles C4'-P-C4' energy: -96.618 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2271.438751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.438751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.438751 (E_RNA) where: Base-Base interactions energy: -1602.782 where: short stacking energy: -672.069 Base-Backbone interact. energy: -2.053 local terms energy: -666.603793 where: bonds (distance) C4'-P energy: -129.487 bonds (distance) P-C4' energy: -134.765 flat angles C4'-P-C4' energy: -138.548 flat angles P-C4'-P energy: -88.359 tors. eta vs tors. theta energy: -175.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2274.206509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.206509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.206509 (E_RNA) where: Base-Base interactions energy: -1601.463 where: short stacking energy: -656.357 Base-Backbone interact. energy: 1.564 local terms energy: -674.307650 where: bonds (distance) C4'-P energy: -134.925 bonds (distance) P-C4' energy: -112.326 flat angles C4'-P-C4' energy: -154.489 flat angles P-C4'-P energy: -92.577 tors. eta vs tors. theta energy: -179.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2079.230371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.230371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.230371 (E_RNA) where: Base-Base interactions energy: -1446.120 where: short stacking energy: -606.799 Base-Backbone interact. energy: 6.355 local terms energy: -639.465572 where: bonds (distance) C4'-P energy: -116.614 bonds (distance) P-C4' energy: -137.168 flat angles C4'-P-C4' energy: -139.640 flat angles P-C4'-P energy: -85.723 tors. eta vs tors. theta energy: -160.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2088.653854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.653854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.653854 (E_RNA) where: Base-Base interactions energy: -1459.753 where: short stacking energy: -621.661 Base-Backbone interact. energy: -1.785 local terms energy: -627.115114 where: bonds (distance) C4'-P energy: -110.713 bonds (distance) P-C4' energy: -123.902 flat angles C4'-P-C4' energy: -141.155 flat angles P-C4'-P energy: -76.310 tors. eta vs tors. theta energy: -175.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1990.573919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.573919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.573919 (E_RNA) where: Base-Base interactions energy: -1389.451 where: short stacking energy: -585.621 Base-Backbone interact. energy: 5.571 local terms energy: -606.694040 where: bonds (distance) C4'-P energy: -108.580 bonds (distance) P-C4' energy: -122.659 flat angles C4'-P-C4' energy: -136.960 flat angles P-C4'-P energy: -91.910 tors. eta vs tors. theta energy: -146.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1807.319683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.319683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.319683 (E_RNA) where: Base-Base interactions energy: -1222.520 where: short stacking energy: -563.075 Base-Backbone interact. energy: -0.593 local terms energy: -584.207455 where: bonds (distance) C4'-P energy: -103.702 bonds (distance) P-C4' energy: -119.761 flat angles C4'-P-C4' energy: -133.831 flat angles P-C4'-P energy: -81.097 tors. eta vs tors. theta energy: -145.817 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: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1700.569429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.569429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.569429 (E_RNA) where: Base-Base interactions energy: -1170.087 where: short stacking energy: -518.211 Base-Backbone interact. energy: -2.652 local terms energy: -527.830931 where: bonds (distance) C4'-P energy: -95.213 bonds (distance) P-C4' energy: -110.359 flat angles C4'-P-C4' energy: -126.944 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -117.922 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: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1408.470009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.470009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.470009 (E_RNA) where: Base-Base interactions energy: -908.371 where: short stacking energy: -423.449 Base-Backbone interact. energy: 2.147 local terms energy: -502.246436 where: bonds (distance) C4'-P energy: -111.519 bonds (distance) P-C4' energy: -113.186 flat angles C4'-P-C4' energy: -109.670 flat angles P-C4'-P energy: -79.685 tors. eta vs tors. theta energy: -88.186 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: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1003.371064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.371064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.371064 (E_RNA) where: Base-Base interactions energy: -577.496 where: short stacking energy: -270.985 Base-Backbone interact. energy: -0.897 local terms energy: -424.977804 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -116.923 flat angles P-C4'-P energy: -55.569 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: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -892.669869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.669869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.669869 (E_RNA) where: Base-Base interactions energy: -513.237 where: short stacking energy: -253.826 Base-Backbone interact. energy: 2.129 local terms energy: -381.562597 where: bonds (distance) C4'-P energy: -109.196 bonds (distance) P-C4' energy: -107.319 flat angles C4'-P-C4' energy: -92.491 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: -11.629 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: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2288.055852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.055852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.055852 (E_RNA) where: Base-Base interactions energy: -1600.456 where: short stacking energy: -702.854 Base-Backbone interact. energy: -0.259 local terms energy: -687.341266 where: bonds (distance) C4'-P energy: -112.874 bonds (distance) P-C4' energy: -126.300 flat angles C4'-P-C4' energy: -149.038 flat angles P-C4'-P energy: -109.030 tors. eta vs tors. theta energy: -190.100 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: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2253.575086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.575086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.575086 (E_RNA) where: Base-Base interactions energy: -1566.976 where: short stacking energy: -654.986 Base-Backbone interact. energy: -3.419 local terms energy: -683.180292 where: bonds (distance) C4'-P energy: -125.513 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -149.821 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -172.056 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: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2114.608595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.608595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.608595 (E_RNA) where: Base-Base interactions energy: -1493.168 where: short stacking energy: -626.479 Base-Backbone interact. energy: 3.602 local terms energy: -625.042568 where: bonds (distance) C4'-P energy: -119.846 bonds (distance) P-C4' energy: -117.561 flat angles C4'-P-C4' energy: -138.193 flat angles P-C4'-P energy: -87.097 tors. eta vs tors. theta energy: -162.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2080.545438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.545438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.545438 (E_RNA) where: Base-Base interactions energy: -1419.805 where: short stacking energy: -594.047 Base-Backbone interact. energy: -4.234 local terms energy: -656.506426 where: bonds (distance) C4'-P energy: -130.980 bonds (distance) P-C4' energy: -135.223 flat angles C4'-P-C4' energy: -143.338 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -148.964 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: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2047.778222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.778222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.778222 (E_RNA) where: Base-Base interactions energy: -1435.682 where: short stacking energy: -596.029 Base-Backbone interact. energy: -2.286 local terms energy: -609.810079 where: bonds (distance) C4'-P energy: -110.958 bonds (distance) P-C4' energy: -123.868 flat angles C4'-P-C4' energy: -133.736 flat angles P-C4'-P energy: -84.444 tors. eta vs tors. theta energy: -156.805 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: 6, replica: 1 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1791.382569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.382569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.382569 (E_RNA) where: Base-Base interactions energy: -1204.284 where: short stacking energy: -520.013 Base-Backbone interact. energy: -5.600 local terms energy: -581.498732 where: bonds (distance) C4'-P energy: -111.574 bonds (distance) P-C4' energy: -113.152 flat angles C4'-P-C4' energy: -135.367 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -145.168 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: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1634.097818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.097818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.097818 (E_RNA) where: Base-Base interactions energy: -1125.283 where: short stacking energy: -460.897 Base-Backbone interact. energy: -2.031 local terms energy: -506.784723 where: bonds (distance) C4'-P energy: -108.300 bonds (distance) P-C4' energy: -120.497 flat angles C4'-P-C4' energy: -115.599 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -98.935 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: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1349.345231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.345231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.345231 (E_RNA) where: Base-Base interactions energy: -870.070 where: short stacking energy: -393.911 Base-Backbone interact. energy: -2.877 local terms energy: -476.397716 where: bonds (distance) C4'-P energy: -116.119 bonds (distance) P-C4' energy: -105.935 flat angles C4'-P-C4' energy: -96.504 flat angles P-C4'-P energy: -84.017 tors. eta vs tors. theta energy: -73.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1002.589159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.589159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.589159 (E_RNA) where: Base-Base interactions energy: -621.445 where: short stacking energy: -302.524 Base-Backbone interact. energy: -0.238 local terms energy: -380.906129 where: bonds (distance) C4'-P energy: -81.004 bonds (distance) P-C4' energy: -93.636 flat angles C4'-P-C4' energy: -103.051 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -39.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -911.888237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.888237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.888237 (E_RNA) where: Base-Base interactions energy: -550.982 where: short stacking energy: -287.261 Base-Backbone interact. energy: -4.042 local terms energy: -356.863814 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -105.486 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -18.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2281.721685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.721685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.721685 (E_RNA) where: Base-Base interactions energy: -1587.237 where: short stacking energy: -663.218 Base-Backbone interact. energy: -3.373 local terms energy: -691.111403 where: bonds (distance) C4'-P energy: -129.367 bonds (distance) P-C4' energy: -130.740 flat angles C4'-P-C4' energy: -154.082 flat angles P-C4'-P energy: -97.432 tors. eta vs tors. theta energy: -179.490 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: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2253.057079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.057079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.057079 (E_RNA) where: Base-Base interactions energy: -1588.280 where: short stacking energy: -640.807 Base-Backbone interact. energy: -1.320 local terms energy: -663.456535 where: bonds (distance) C4'-P energy: -118.842 bonds (distance) P-C4' energy: -128.372 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -83.581 tors. eta vs tors. theta energy: -182.841 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: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2098.818910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.818910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.818910 (E_RNA) where: Base-Base interactions energy: -1477.086 where: short stacking energy: -624.612 Base-Backbone interact. energy: -2.037 local terms energy: -619.695694 where: bonds (distance) C4'-P energy: -130.625 bonds (distance) P-C4' energy: -110.489 flat angles C4'-P-C4' energy: -127.021 flat angles P-C4'-P energy: -91.448 tors. eta vs tors. theta energy: -160.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2051.863869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.863869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.863869 (E_RNA) where: Base-Base interactions energy: -1387.194 where: short stacking energy: -583.117 Base-Backbone interact. energy: 2.957 local terms energy: -667.626419 where: bonds (distance) C4'-P energy: -124.728 bonds (distance) P-C4' energy: -137.746 flat angles C4'-P-C4' energy: -146.802 flat angles P-C4'-P energy: -103.579 tors. eta vs tors. theta energy: -154.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1983.558210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.558210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.558210 (E_RNA) where: Base-Base interactions energy: -1369.113 where: short stacking energy: -573.566 Base-Backbone interact. energy: 2.163 local terms energy: -616.608200 where: bonds (distance) C4'-P energy: -113.878 bonds (distance) P-C4' energy: -122.028 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -90.177 tors. eta vs tors. theta energy: -154.747 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: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1834.610749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.610749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.610749 (E_RNA) where: Base-Base interactions energy: -1252.847 where: short stacking energy: -554.938 Base-Backbone interact. energy: 1.046 local terms energy: -582.810034 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -118.392 flat angles C4'-P-C4' energy: -132.117 flat angles P-C4'-P energy: -84.033 tors. eta vs tors. theta energy: -137.956 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: 8 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1644.772735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.772735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.772735 (E_RNA) where: Base-Base interactions energy: -1091.621 where: short stacking energy: -475.405 Base-Backbone interact. energy: -0.576 local terms energy: -552.575407 where: bonds (distance) C4'-P energy: -117.758 bonds (distance) P-C4' energy: -129.030 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -66.732 tors. eta vs tors. theta energy: -113.436 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: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1376.236230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.236230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.236230 (E_RNA) where: Base-Base interactions energy: -875.566 where: short stacking energy: -410.219 Base-Backbone interact. energy: -0.777 local terms energy: -499.892762 where: bonds (distance) C4'-P energy: -107.042 bonds (distance) P-C4' energy: -119.701 flat angles C4'-P-C4' energy: -111.721 flat angles P-C4'-P energy: -80.881 tors. eta vs tors. theta energy: -80.548 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: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -957.753689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.753689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.753689 (E_RNA) where: Base-Base interactions energy: -583.298 where: short stacking energy: -264.584 Base-Backbone interact. energy: 0.934 local terms energy: -375.390284 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -96.785 flat angles C4'-P-C4' energy: -104.054 flat angles P-C4'-P energy: -56.056 tors. eta vs tors. theta energy: -6.506 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: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -839.292458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.292458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.292458 (E_RNA) where: Base-Base interactions energy: -455.697 where: short stacking energy: -256.201 Base-Backbone interact. energy: 0.566 local terms energy: -384.161645 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -127.792 flat angles C4'-P-C4' energy: -78.158 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -16.394 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: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2252.662159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.662159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.662159 (E_RNA) where: Base-Base interactions energy: -1568.280 where: short stacking energy: -644.456 Base-Backbone interact. energy: -1.496 local terms energy: -682.886421 where: bonds (distance) C4'-P energy: -124.378 bonds (distance) P-C4' energy: -123.814 flat angles C4'-P-C4' energy: -155.754 flat angles P-C4'-P energy: -103.815 tors. eta vs tors. theta energy: -175.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2241.953154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.953154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.953154 (E_RNA) where: Base-Base interactions energy: -1575.537 where: short stacking energy: -648.645 Base-Backbone interact. energy: -2.302 local terms energy: -664.113905 where: bonds (distance) C4'-P energy: -134.605 bonds (distance) P-C4' energy: -124.900 flat angles C4'-P-C4' energy: -133.840 flat angles P-C4'-P energy: -87.104 tors. eta vs tors. theta energy: -183.665 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: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2122.885239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.885239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.885239 (E_RNA) where: Base-Base interactions energy: -1505.592 where: short stacking energy: -610.428 Base-Backbone interact. energy: -4.863 local terms energy: -612.429962 where: bonds (distance) C4'-P energy: -102.513 bonds (distance) P-C4' energy: -128.532 flat angles C4'-P-C4' energy: -143.083 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -161.067 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: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2078.506855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.506855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.506855 (E_RNA) where: Base-Base interactions energy: -1447.458 where: short stacking energy: -607.507 Base-Backbone interact. energy: -2.800 local terms energy: -628.249059 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -142.947 flat angles P-C4'-P energy: -92.294 tors. eta vs tors. theta energy: -157.274 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: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1994.067770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.067770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.067770 (E_RNA) where: Base-Base interactions energy: -1397.110 where: short stacking energy: -592.756 Base-Backbone interact. energy: -8.519 local terms energy: -588.438749 where: bonds (distance) C4'-P energy: -106.958 bonds (distance) P-C4' energy: -114.088 flat angles C4'-P-C4' energy: -129.768 flat angles P-C4'-P energy: -91.563 tors. eta vs tors. theta energy: -146.062 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: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1752.564859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.564859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.564859 (E_RNA) where: Base-Base interactions energy: -1205.965 where: short stacking energy: -508.609 Base-Backbone interact. energy: -1.018 local terms energy: -545.581427 where: bonds (distance) C4'-P energy: -94.945 bonds (distance) P-C4' energy: -113.156 flat angles C4'-P-C4' energy: -118.173 flat angles P-C4'-P energy: -90.867 tors. eta vs tors. theta energy: -128.440 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: 7, replica: 8 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1661.211253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.211253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.211253 (E_RNA) where: Base-Base interactions energy: -1130.519 where: short stacking energy: -476.379 Base-Backbone interact. energy: -2.703 local terms energy: -527.989362 where: bonds (distance) C4'-P energy: -102.248 bonds (distance) P-C4' energy: -119.180 flat angles C4'-P-C4' energy: -121.295 flat angles P-C4'-P energy: -69.038 tors. eta vs tors. theta energy: -116.227 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: 8, replica: 2 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1371.363995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.363995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.363995 (E_RNA) where: Base-Base interactions energy: -881.801 where: short stacking energy: -391.957 Base-Backbone interact. energy: 1.877 local terms energy: -491.440426 where: bonds (distance) C4'-P energy: -110.768 bonds (distance) P-C4' energy: -97.693 flat angles C4'-P-C4' energy: -113.756 flat angles P-C4'-P energy: -97.480 tors. eta vs tors. theta energy: -71.744 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: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1013.214423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.214423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.214423 (E_RNA) where: Base-Base interactions energy: -598.718 where: short stacking energy: -261.779 Base-Backbone interact. energy: 0.795 local terms energy: -415.290891 where: bonds (distance) C4'-P energy: -105.719 bonds (distance) P-C4' energy: -108.152 flat angles C4'-P-C4' energy: -116.726 flat angles P-C4'-P energy: -65.716 tors. eta vs tors. theta energy: -18.979 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: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -875.301134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.301134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.301134 (E_RNA) where: Base-Base interactions energy: -482.093 where: short stacking energy: -236.024 Base-Backbone interact. energy: 6.663 local terms energy: -399.871577 where: bonds (distance) C4'-P energy: -94.164 bonds (distance) P-C4' energy: -111.892 flat angles C4'-P-C4' energy: -108.041 flat angles P-C4'-P energy: -73.426 tors. eta vs tors. theta energy: -12.348 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: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2278.896378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.896378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.896378 (E_RNA) where: Base-Base interactions energy: -1566.637 where: short stacking energy: -678.964 Base-Backbone interact. energy: -4.403 local terms energy: -707.856898 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -130.025 flat angles C4'-P-C4' energy: -144.373 flat angles P-C4'-P energy: -101.674 tors. eta vs tors. theta energy: -187.767 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2218.187895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.187895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.187895 (E_RNA) where: Base-Base interactions energy: -1526.232 where: short stacking energy: -644.011 Base-Backbone interact. energy: 0.831 local terms energy: -692.787142 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -129.528 flat angles C4'-P-C4' energy: -145.800 flat angles P-C4'-P energy: -101.419 tors. eta vs tors. theta energy: -182.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2132.179168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.179168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.179168 (E_RNA) where: Base-Base interactions energy: -1513.572 where: short stacking energy: -621.860 Base-Backbone interact. energy: -3.467 local terms energy: -615.139630 where: bonds (distance) C4'-P energy: -122.809 bonds (distance) P-C4' energy: -114.202 flat angles C4'-P-C4' energy: -134.105 flat angles P-C4'-P energy: -82.859 tors. eta vs tors. theta energy: -161.164 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: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2110.047334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.047334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.047334 (E_RNA) where: Base-Base interactions energy: -1470.471 where: short stacking energy: -595.032 Base-Backbone interact. energy: -1.658 local terms energy: -637.918386 where: bonds (distance) C4'-P energy: -130.245 bonds (distance) P-C4' energy: -119.835 flat angles C4'-P-C4' energy: -141.493 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -156.563 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: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1972.937953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.937953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.937953 (E_RNA) where: Base-Base interactions energy: -1358.154 where: short stacking energy: -561.204 Base-Backbone interact. energy: 0.474 local terms energy: -615.258236 where: bonds (distance) C4'-P energy: -119.246 bonds (distance) P-C4' energy: -116.810 flat angles C4'-P-C4' energy: -136.595 flat angles P-C4'-P energy: -93.883 tors. eta vs tors. theta energy: -148.725 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1812.391931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.391931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.391931 (E_RNA) where: Base-Base interactions energy: -1259.185 where: short stacking energy: -546.075 Base-Backbone interact. energy: -0.444 local terms energy: -552.763332 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -109.832 flat angles C4'-P-C4' energy: -126.442 flat angles P-C4'-P energy: -76.491 tors. eta vs tors. theta energy: -133.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1651.088234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.088234 (E_RNA) where: Base-Base interactions energy: -1100.792 where: short stacking energy: -478.759 Base-Backbone interact. energy: -1.136 local terms energy: -549.159627 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -132.224 flat angles C4'-P-C4' energy: -121.282 flat angles P-C4'-P energy: -76.299 tors. eta vs tors. theta energy: -113.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1374.914660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.914660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.914660 (E_RNA) where: Base-Base interactions energy: -884.720 where: short stacking energy: -411.844 Base-Backbone interact. energy: 0.455 local terms energy: -490.649259 where: bonds (distance) C4'-P energy: -105.159 bonds (distance) P-C4' energy: -133.964 flat angles C4'-P-C4' energy: -110.790 flat angles P-C4'-P energy: -64.232 tors. eta vs tors. theta energy: -76.505 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: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1085.130165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.130165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.130165 (E_RNA) where: Base-Base interactions energy: -656.675 where: short stacking energy: -300.202 Base-Backbone interact. energy: -1.729 local terms energy: -426.725740 where: bonds (distance) C4'-P energy: -106.506 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -119.673 flat angles P-C4'-P energy: -58.367 tors. eta vs tors. theta energy: -35.263 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: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -900.880460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.880460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.880460 (E_RNA) where: Base-Base interactions energy: -517.177 where: short stacking energy: -279.675 Base-Backbone interact. energy: 3.213 local terms energy: -386.916960 where: bonds (distance) C4'-P energy: -94.734 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -111.190 flat angles P-C4'-P energy: -66.205 tors. eta vs tors. theta energy: -22.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2278.768194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.768194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.768194 (E_RNA) where: Base-Base interactions energy: -1597.799 where: short stacking energy: -643.633 Base-Backbone interact. energy: 3.244 local terms energy: -684.213397 where: bonds (distance) C4'-P energy: -135.414 bonds (distance) P-C4' energy: -136.340 flat angles C4'-P-C4' energy: -138.373 flat angles P-C4'-P energy: -95.830 tors. eta vs tors. theta energy: -178.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2246.930791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.930791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.930791 (E_RNA) where: Base-Base interactions energy: -1589.971 where: short stacking energy: -684.673 Base-Backbone interact. energy: -2.133 local terms energy: -654.826603 where: bonds (distance) C4'-P energy: -125.218 bonds (distance) P-C4' energy: -110.352 flat angles C4'-P-C4' energy: -143.249 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -191.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2136.687715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.687715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.687715 (E_RNA) where: Base-Base interactions energy: -1508.014 where: short stacking energy: -634.186 Base-Backbone interact. energy: 0.222 local terms energy: -628.896364 where: bonds (distance) C4'-P energy: -108.712 bonds (distance) P-C4' energy: -129.056 flat angles C4'-P-C4' energy: -132.527 flat angles P-C4'-P energy: -89.042 tors. eta vs tors. theta energy: -169.559 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2080.443690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.443690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.443690 (E_RNA) where: Base-Base interactions energy: -1447.982 where: short stacking energy: -601.922 Base-Backbone interact. energy: 0.017 local terms energy: -632.479510 where: bonds (distance) C4'-P energy: -123.021 bonds (distance) P-C4' energy: -120.610 flat angles C4'-P-C4' energy: -134.822 flat angles P-C4'-P energy: -87.576 tors. eta vs tors. theta energy: -166.451 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: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1968.654144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.654144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.654144 (E_RNA) where: Base-Base interactions energy: -1354.134 where: short stacking energy: -582.334 Base-Backbone interact. energy: -2.444 local terms energy: -612.076101 where: bonds (distance) C4'-P energy: -125.158 bonds (distance) P-C4' energy: -112.794 flat angles C4'-P-C4' energy: -139.295 flat angles P-C4'-P energy: -90.342 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: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1765.733245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.733245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.733245 (E_RNA) where: Base-Base interactions energy: -1207.928 where: short stacking energy: -503.386 Base-Backbone interact. energy: -2.417 local terms energy: -555.388943 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -101.499 flat angles C4'-P-C4' energy: -132.926 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: -121.204 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: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1694.850091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.850091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.850091 (E_RNA) where: Base-Base interactions energy: -1159.216 where: short stacking energy: -491.893 Base-Backbone interact. energy: -2.138 local terms energy: -533.495685 where: bonds (distance) C4'-P energy: -100.413 bonds (distance) P-C4' energy: -106.666 flat angles C4'-P-C4' energy: -117.061 flat angles P-C4'-P energy: -82.029 tors. eta vs tors. theta energy: -127.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1374.430466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.430466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.430466 (E_RNA) where: Base-Base interactions energy: -914.508 where: short stacking energy: -400.846 Base-Backbone interact. energy: -0.774 local terms energy: -459.149192 where: bonds (distance) C4'-P energy: -101.798 bonds (distance) P-C4' energy: -106.161 flat angles C4'-P-C4' energy: -109.235 flat angles P-C4'-P energy: -57.340 tors. eta vs tors. theta energy: -84.615 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: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1154.272899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.272899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.272899 (E_RNA) where: Base-Base interactions energy: -741.735 where: short stacking energy: -331.486 Base-Backbone interact. energy: 1.650 local terms energy: -414.188583 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -115.207 flat angles C4'-P-C4' energy: -102.440 flat angles P-C4'-P energy: -54.363 tors. eta vs tors. theta energy: -54.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -897.352111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.352111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.352111 (E_RNA) where: Base-Base interactions energy: -495.934 where: short stacking energy: -246.993 Base-Backbone interact. energy: 3.379 local terms energy: -404.796907 where: bonds (distance) C4'-P energy: -96.546 bonds (distance) P-C4' energy: -120.893 flat angles C4'-P-C4' energy: -101.204 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -28.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2284.642337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.642337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.642337 (E_RNA) where: Base-Base interactions energy: -1598.657 where: short stacking energy: -656.022 Base-Backbone interact. energy: -4.953 local terms energy: -681.032378 where: bonds (distance) C4'-P energy: -132.103 bonds (distance) P-C4' energy: -139.502 flat angles C4'-P-C4' energy: -145.531 flat angles P-C4'-P energy: -87.822 tors. eta vs tors. theta energy: -176.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2238.513359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.513359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.513359 (E_RNA) where: Base-Base interactions energy: -1569.070 where: short stacking energy: -654.530 Base-Backbone interact. energy: -5.569 local terms energy: -663.874541 where: bonds (distance) C4'-P energy: -121.302 bonds (distance) P-C4' energy: -133.880 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -179.560 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: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2160.297389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.297389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.297389 (E_RNA) where: Base-Base interactions energy: -1518.434 where: short stacking energy: -613.721 Base-Backbone interact. energy: -1.872 local terms energy: -639.991380 where: bonds (distance) C4'-P energy: -129.205 bonds (distance) P-C4' energy: -129.582 flat angles C4'-P-C4' energy: -131.618 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -171.173 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: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2056.547088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.547088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.547088 (E_RNA) where: Base-Base interactions energy: -1432.302 where: short stacking energy: -589.002 Base-Backbone interact. energy: 1.863 local terms energy: -626.107849 where: bonds (distance) C4'-P energy: -115.047 bonds (distance) P-C4' energy: -119.806 flat angles C4'-P-C4' energy: -136.102 flat angles P-C4'-P energy: -98.808 tors. eta vs tors. theta energy: -156.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1979.842444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.842444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.842444 (E_RNA) where: Base-Base interactions energy: -1363.435 where: short stacking energy: -580.248 Base-Backbone interact. energy: -1.584 local terms energy: -614.823255 where: bonds (distance) C4'-P energy: -113.532 bonds (distance) P-C4' energy: -119.217 flat angles C4'-P-C4' energy: -136.533 flat angles P-C4'-P energy: -85.978 tors. eta vs tors. theta energy: -159.563 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: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1792.819299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.819299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.819299 (E_RNA) where: Base-Base interactions energy: -1223.080 where: short stacking energy: -544.028 Base-Backbone interact. energy: 1.500 local terms energy: -571.240063 where: bonds (distance) C4'-P energy: -115.713 bonds (distance) P-C4' energy: -117.015 flat angles C4'-P-C4' energy: -126.338 flat angles P-C4'-P energy: -82.948 tors. eta vs tors. theta energy: -129.226 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: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1684.476409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.476409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.476409 (E_RNA) where: Base-Base interactions energy: -1145.538 where: short stacking energy: -507.385 Base-Backbone interact. energy: 0.385 local terms energy: -539.323499 where: bonds (distance) C4'-P energy: -109.096 bonds (distance) P-C4' energy: -121.587 flat angles C4'-P-C4' energy: -116.983 flat angles P-C4'-P energy: -68.219 tors. eta vs tors. theta energy: -123.438 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: 152 Temperature: 1.250000 Total energy: -1316.229098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.229098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.229098 (E_RNA) where: Base-Base interactions energy: -907.765 where: short stacking energy: -423.148 Base-Backbone interact. energy: 2.357 local terms energy: -410.821065 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -80.739 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -71.502 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: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1221.230325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.230325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.230325 (E_RNA) where: Base-Base interactions energy: -789.414 where: short stacking energy: -371.144 Base-Backbone interact. energy: 0.377 local terms energy: -432.193707 where: bonds (distance) C4'-P energy: -93.969 bonds (distance) P-C4' energy: -100.045 flat angles C4'-P-C4' energy: -109.819 flat angles P-C4'-P energy: -68.345 tors. eta vs tors. theta energy: -60.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -870.071334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.071334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.071334 (E_RNA) where: Base-Base interactions energy: -500.842 where: short stacking energy: -252.420 Base-Backbone interact. energy: -2.723 local terms energy: -366.506628 where: bonds (distance) C4'-P energy: -105.540 bonds (distance) P-C4' energy: -99.928 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -47.035 tors. eta vs tors. theta energy: -10.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2248.740250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.740250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.740250 (E_RNA) where: Base-Base interactions energy: -1592.104 where: short stacking energy: -655.788 Base-Backbone interact. energy: -5.398 local terms energy: -651.239105 where: bonds (distance) C4'-P energy: -122.720 bonds (distance) P-C4' energy: -127.697 flat angles C4'-P-C4' energy: -138.896 flat angles P-C4'-P energy: -94.549 tors. eta vs tors. theta energy: -167.376 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2245.219692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.219692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.219692 (E_RNA) where: Base-Base interactions energy: -1558.414 where: short stacking energy: -636.960 Base-Backbone interact. energy: -2.853 local terms energy: -683.952524 where: bonds (distance) C4'-P energy: -109.976 bonds (distance) P-C4' energy: -135.254 flat angles C4'-P-C4' energy: -144.394 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -190.500 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2158.331521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.331521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.331521 (E_RNA) where: Base-Base interactions energy: -1538.941 where: short stacking energy: -627.224 Base-Backbone interact. energy: -1.923 local terms energy: -617.467118 where: bonds (distance) C4'-P energy: -101.915 bonds (distance) P-C4' energy: -132.211 flat angles C4'-P-C4' energy: -125.902 flat angles P-C4'-P energy: -88.579 tors. eta vs tors. theta energy: -168.860 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: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2034.918586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.918586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.918586 (E_RNA) where: Base-Base interactions energy: -1421.289 where: short stacking energy: -568.758 Base-Backbone interact. energy: -6.093 local terms energy: -607.536841 where: bonds (distance) C4'-P energy: -106.064 bonds (distance) P-C4' energy: -123.063 flat angles C4'-P-C4' energy: -130.484 flat angles P-C4'-P energy: -102.366 tors. eta vs tors. theta energy: -145.560 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1989.891249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.891249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.891249 (E_RNA) where: Base-Base interactions energy: -1402.836 where: short stacking energy: -593.656 Base-Backbone interact. energy: -3.377 local terms energy: -583.677953 where: bonds (distance) C4'-P energy: -104.464 bonds (distance) P-C4' energy: -105.679 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -85.100 tors. eta vs tors. theta energy: -163.164 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: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1784.746622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.746622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.746622 (E_RNA) where: Base-Base interactions energy: -1212.153 where: short stacking energy: -517.972 Base-Backbone interact. energy: -3.230 local terms energy: -569.363450 where: bonds (distance) C4'-P energy: -131.009 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -112.730 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -125.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1600.885749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.885749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.885749 (E_RNA) where: Base-Base interactions energy: -1097.660 where: short stacking energy: -479.105 Base-Backbone interact. energy: -1.433 local terms energy: -501.792474 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -110.261 flat angles C4'-P-C4' energy: -119.429 flat angles P-C4'-P energy: -74.972 tors. eta vs tors. theta energy: -100.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1267.592282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.592282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.592282 (E_RNA) where: Base-Base interactions energy: -809.891 where: short stacking energy: -362.060 Base-Backbone interact. energy: -1.954 local terms energy: -455.747296 where: bonds (distance) C4'-P energy: -112.685 bonds (distance) P-C4' energy: -105.818 flat angles C4'-P-C4' energy: -123.613 flat angles P-C4'-P energy: -50.777 tors. eta vs tors. theta energy: -62.853 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: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1183.465830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.465830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.465830 (E_RNA) where: Base-Base interactions energy: -776.671 where: short stacking energy: -378.140 Base-Backbone interact. energy: 1.239 local terms energy: -408.033781 where: bonds (distance) C4'-P energy: -96.194 bonds (distance) P-C4' energy: -109.050 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -60.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -906.876620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.876620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.876620 (E_RNA) where: Base-Base interactions energy: -521.594 where: short stacking energy: -260.388 Base-Backbone interact. energy: 5.642 local terms energy: -390.925084 where: bonds (distance) C4'-P energy: -109.237 bonds (distance) P-C4' energy: -96.103 flat angles C4'-P-C4' energy: -107.011 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -18.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2337.380654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.380654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.380654 (E_RNA) where: Base-Base interactions energy: -1623.094 where: short stacking energy: -650.343 Base-Backbone interact. energy: -3.980 local terms energy: -710.306169 where: bonds (distance) C4'-P energy: -153.825 bonds (distance) P-C4' energy: -131.684 flat angles C4'-P-C4' energy: -145.924 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -176.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2254.337582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.337582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.337582 (E_RNA) where: Base-Base interactions energy: -1577.916 where: short stacking energy: -662.521 Base-Backbone interact. energy: -4.372 local terms energy: -672.050249 where: bonds (distance) C4'-P energy: -119.780 bonds (distance) P-C4' energy: -135.529 flat angles C4'-P-C4' energy: -148.612 flat angles P-C4'-P energy: -84.134 tors. eta vs tors. theta energy: -183.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2164.891948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.891948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.891948 (E_RNA) where: Base-Base interactions energy: -1528.817 where: short stacking energy: -637.712 Base-Backbone interact. energy: -3.118 local terms energy: -632.957166 where: bonds (distance) C4'-P energy: -128.279 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -128.898 flat angles P-C4'-P energy: -87.287 tors. eta vs tors. theta energy: -156.467 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: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2085.844323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.844323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.844323 (E_RNA) where: Base-Base interactions energy: -1463.569 where: short stacking energy: -620.983 Base-Backbone interact. energy: -4.622 local terms energy: -617.653454 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -116.862 flat angles C4'-P-C4' energy: -130.244 flat angles P-C4'-P energy: -86.240 tors. eta vs tors. theta energy: -173.017 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: 154 Temperature: 1.100000 Total energy: -2019.181357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.181357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.181357 (E_RNA) where: Base-Base interactions energy: -1399.244 where: short stacking energy: -614.823 Base-Backbone interact. energy: -3.145 local terms energy: -616.792451 where: bonds (distance) C4'-P energy: -103.437 bonds (distance) P-C4' energy: -112.319 flat angles C4'-P-C4' energy: -134.112 flat angles P-C4'-P energy: -98.858 tors. eta vs tors. theta energy: -168.066 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: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1848.626221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.626221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.626221 (E_RNA) where: Base-Base interactions energy: -1251.727 where: short stacking energy: -556.623 Base-Backbone interact. energy: -2.398 local terms energy: -594.501207 where: bonds (distance) C4'-P energy: -114.442 bonds (distance) P-C4' energy: -112.154 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -73.746 tors. eta vs tors. theta energy: -150.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1580.183129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.183129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.183129 (E_RNA) where: Base-Base interactions energy: -1057.483 where: short stacking energy: -450.410 Base-Backbone interact. energy: 0.198 local terms energy: -522.897582 where: bonds (distance) C4'-P energy: -106.155 bonds (distance) P-C4' energy: -117.128 flat angles C4'-P-C4' energy: -113.982 flat angles P-C4'-P energy: -81.116 tors. eta vs tors. theta energy: -104.516 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: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1283.290989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.290989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.290989 (E_RNA) where: Base-Base interactions energy: -816.536 where: short stacking energy: -376.480 Base-Backbone interact. energy: -2.520 local terms energy: -464.234391 where: bonds (distance) C4'-P energy: -112.335 bonds (distance) P-C4' energy: -105.866 flat angles C4'-P-C4' energy: -99.566 flat angles P-C4'-P energy: -67.751 tors. eta vs tors. theta energy: -78.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1117.048875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.048875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.048875 (E_RNA) where: Base-Base interactions energy: -684.496 where: short stacking energy: -311.506 Base-Backbone interact. energy: -2.042 local terms energy: -430.510555 where: bonds (distance) C4'-P energy: -96.087 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -100.074 flat angles P-C4'-P energy: -75.237 tors. eta vs tors. theta energy: -55.182 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: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -893.817192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.817192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.817192 (E_RNA) where: Base-Base interactions energy: -517.703 where: short stacking energy: -254.185 Base-Backbone interact. energy: 1.105 local terms energy: -377.219328 where: bonds (distance) C4'-P energy: -110.588 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -91.036 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: -26.197 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: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2347.199016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.199016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.199016 (E_RNA) where: Base-Base interactions energy: -1644.379 where: short stacking energy: -683.915 Base-Backbone interact. energy: -5.542 local terms energy: -697.278153 where: bonds (distance) C4'-P energy: -131.067 bonds (distance) P-C4' energy: -135.441 flat angles C4'-P-C4' energy: -156.546 flat angles P-C4'-P energy: -90.520 tors. eta vs tors. theta energy: -183.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2240.522035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.522035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.522035 (E_RNA) where: Base-Base interactions energy: -1559.406 where: short stacking energy: -643.079 Base-Backbone interact. energy: -3.276 local terms energy: -677.840272 where: bonds (distance) C4'-P energy: -134.997 bonds (distance) P-C4' energy: -121.078 flat angles C4'-P-C4' energy: -153.663 flat angles P-C4'-P energy: -84.402 tors. eta vs tors. theta energy: -183.699 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: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2154.076499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.076499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.076499 (E_RNA) where: Base-Base interactions energy: -1500.968 where: short stacking energy: -607.058 Base-Backbone interact. energy: -2.331 local terms energy: -650.777253 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -129.599 flat angles C4'-P-C4' energy: -137.200 flat angles P-C4'-P energy: -91.772 tors. eta vs tors. theta energy: -167.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2055.529505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.529505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.529505 (E_RNA) where: Base-Base interactions energy: -1418.089 where: short stacking energy: -589.909 Base-Backbone interact. energy: -4.024 local terms energy: -633.416603 where: bonds (distance) C4'-P energy: -107.922 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -138.350 flat angles P-C4'-P energy: -94.623 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: 5 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2028.877189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.877189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.877189 (E_RNA) where: Base-Base interactions energy: -1406.671 where: short stacking energy: -614.152 Base-Backbone interact. energy: 1.402 local terms energy: -623.608183 where: bonds (distance) C4'-P energy: -115.742 bonds (distance) P-C4' energy: -127.272 flat angles C4'-P-C4' energy: -129.270 flat angles P-C4'-P energy: -87.785 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: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1822.194963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.194963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.194963 (E_RNA) where: Base-Base interactions energy: -1251.651 where: short stacking energy: -531.028 Base-Backbone interact. energy: 2.145 local terms energy: -572.688801 where: bonds (distance) C4'-P energy: -102.240 bonds (distance) P-C4' energy: -118.361 flat angles C4'-P-C4' energy: -128.117 flat angles P-C4'-P energy: -76.800 tors. eta vs tors. theta energy: -147.170 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: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1603.665348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.665348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.665348 (E_RNA) where: Base-Base interactions energy: -1073.050 where: short stacking energy: -465.172 Base-Backbone interact. energy: -4.228 local terms energy: -526.387101 where: bonds (distance) C4'-P energy: -108.805 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -114.549 flat angles P-C4'-P energy: -80.100 tors. eta vs tors. theta energy: -108.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1218.507728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.507728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.507728 (E_RNA) where: Base-Base interactions energy: -771.057 where: short stacking energy: -335.539 Base-Backbone interact. energy: 2.370 local terms energy: -449.821608 where: bonds (distance) C4'-P energy: -100.578 bonds (distance) P-C4' energy: -121.979 flat angles C4'-P-C4' energy: -100.435 flat angles P-C4'-P energy: -67.847 tors. eta vs tors. theta energy: -58.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1180.284434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.284434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.284434 (E_RNA) where: Base-Base interactions energy: -752.319 where: short stacking energy: -368.381 Base-Backbone interact. energy: 2.616 local terms energy: -430.581069 where: bonds (distance) C4'-P energy: -113.620 bonds (distance) P-C4' energy: -94.434 flat angles C4'-P-C4' energy: -98.803 flat angles P-C4'-P energy: -53.315 tors. eta vs tors. theta energy: -70.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -906.864999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.864999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.864999 (E_RNA) where: Base-Base interactions energy: -510.839 where: short stacking energy: -252.387 Base-Backbone interact. energy: 0.044 local terms energy: -396.070148 where: bonds (distance) C4'-P energy: -90.295 bonds (distance) P-C4' energy: -121.278 flat angles C4'-P-C4' energy: -107.045 flat angles P-C4'-P energy: -57.696 tors. eta vs tors. theta energy: -19.756 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: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2333.766369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.766369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.766369 (E_RNA) where: Base-Base interactions energy: -1645.043 where: short stacking energy: -650.466 Base-Backbone interact. energy: -1.633 local terms energy: -687.090448 where: bonds (distance) C4'-P energy: -137.088 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -139.968 flat angles P-C4'-P energy: -108.739 tors. eta vs tors. theta energy: -183.912 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: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2265.159818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.159818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.159818 (E_RNA) where: Base-Base interactions energy: -1587.980 where: short stacking energy: -656.558 Base-Backbone interact. energy: -6.365 local terms energy: -670.814692 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -143.783 flat angles P-C4'-P energy: -97.406 tors. eta vs tors. theta energy: -181.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2165.788373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.788373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.788373 (E_RNA) where: Base-Base interactions energy: -1545.176 where: short stacking energy: -626.425 Base-Backbone interact. energy: 3.378 local terms energy: -623.989983 where: bonds (distance) C4'-P energy: -129.046 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -135.208 flat angles P-C4'-P energy: -85.756 tors. eta vs tors. theta energy: -157.868 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: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2041.398829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.398829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.398829 (E_RNA) where: Base-Base interactions energy: -1422.061 where: short stacking energy: -594.956 Base-Backbone interact. energy: 8.029 local terms energy: -627.366610 where: bonds (distance) C4'-P energy: -123.497 bonds (distance) P-C4' energy: -126.157 flat angles C4'-P-C4' energy: -127.915 flat angles P-C4'-P energy: -91.950 tors. eta vs tors. theta energy: -157.848 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: 5 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2026.308533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.308533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.308533 (E_RNA) where: Base-Base interactions energy: -1396.866 where: short stacking energy: -598.156 Base-Backbone interact. energy: -4.307 local terms energy: -625.135488 where: bonds (distance) C4'-P energy: -116.738 bonds (distance) P-C4' energy: -123.568 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -82.500 tors. eta vs tors. theta energy: -163.439 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: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1834.527186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.527186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.527186 (E_RNA) where: Base-Base interactions energy: -1250.463 where: short stacking energy: -560.813 Base-Backbone interact. energy: -0.766 local terms energy: -583.298541 where: bonds (distance) C4'-P energy: -113.555 bonds (distance) P-C4' energy: -122.832 flat angles C4'-P-C4' energy: -131.341 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -138.116 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: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1638.833809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.833809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.833809 (E_RNA) where: Base-Base interactions energy: -1088.774 where: short stacking energy: -479.519 Base-Backbone interact. energy: -0.814 local terms energy: -549.245114 where: bonds (distance) C4'-P energy: -119.885 bonds (distance) P-C4' energy: -114.640 flat angles C4'-P-C4' energy: -115.384 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -120.277 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: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1236.219284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.219284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.219284 (E_RNA) where: Base-Base interactions energy: -776.054 where: short stacking energy: -341.755 Base-Backbone interact. energy: -0.945 local terms energy: -459.221096 where: bonds (distance) C4'-P energy: -108.946 bonds (distance) P-C4' energy: -114.903 flat angles C4'-P-C4' energy: -116.767 flat angles P-C4'-P energy: -68.884 tors. eta vs tors. theta energy: -49.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1213.138256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.138256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.138256 (E_RNA) where: Base-Base interactions energy: -777.079 where: short stacking energy: -352.039 Base-Backbone interact. energy: -2.048 local terms energy: -434.011581 where: bonds (distance) C4'-P energy: -84.106 bonds (distance) P-C4' energy: -109.285 flat angles C4'-P-C4' energy: -109.712 flat angles P-C4'-P energy: -66.912 tors. eta vs tors. theta energy: -63.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -885.664458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.664458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.664458 (E_RNA) where: Base-Base interactions energy: -518.385 where: short stacking energy: -269.529 Base-Backbone interact. energy: -0.619 local terms energy: -366.660971 where: bonds (distance) C4'-P energy: -101.440 bonds (distance) P-C4' energy: -88.679 flat angles C4'-P-C4' energy: -85.411 flat angles P-C4'-P energy: -61.539 tors. eta vs tors. theta energy: -29.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2327.547682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.547682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.547682 (E_RNA) where: Base-Base interactions energy: -1635.972 where: short stacking energy: -646.984 Base-Backbone interact. energy: -4.408 local terms energy: -687.167228 where: bonds (distance) C4'-P energy: -139.846 bonds (distance) P-C4' energy: -123.849 flat angles C4'-P-C4' energy: -145.779 flat angles P-C4'-P energy: -97.233 tors. eta vs tors. theta energy: -180.461 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: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2258.406059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.406059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.406059 (E_RNA) where: Base-Base interactions energy: -1587.023 where: short stacking energy: -665.745 Base-Backbone interact. energy: -0.586 local terms energy: -670.797147 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -115.137 flat angles C4'-P-C4' energy: -153.377 flat angles P-C4'-P energy: -101.768 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: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2125.114917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.114917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.114917 (E_RNA) where: Base-Base interactions energy: -1471.498 where: short stacking energy: -602.851 Base-Backbone interact. energy: -0.900 local terms energy: -652.716358 where: bonds (distance) C4'-P energy: -131.169 bonds (distance) P-C4' energy: -126.769 flat angles C4'-P-C4' energy: -133.182 flat angles P-C4'-P energy: -104.063 tors. eta vs tors. theta energy: -157.533 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: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2106.235211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.235211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.235211 (E_RNA) where: Base-Base interactions energy: -1477.678 where: short stacking energy: -595.987 Base-Backbone interact. energy: 0.809 local terms energy: -629.366892 where: bonds (distance) C4'-P energy: -129.044 bonds (distance) P-C4' energy: -125.885 flat angles C4'-P-C4' energy: -143.992 flat angles P-C4'-P energy: -78.464 tors. eta vs tors. theta energy: -151.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2017.552320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.552320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.552320 (E_RNA) where: Base-Base interactions energy: -1392.053 where: short stacking energy: -597.085 Base-Backbone interact. energy: -3.113 local terms energy: -622.385417 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -126.491 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -84.209 tors. eta vs tors. theta energy: -163.192 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: 6, replica: 1 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1873.053592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.053592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.053592 (E_RNA) where: Base-Base interactions energy: -1251.429 where: short stacking energy: -520.789 Base-Backbone interact. energy: -2.680 local terms energy: -618.944246 where: bonds (distance) C4'-P energy: -125.599 bonds (distance) P-C4' energy: -133.461 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -85.645 tors. eta vs tors. theta energy: -142.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1672.142435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.142435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.142435 (E_RNA) where: Base-Base interactions energy: -1155.027 where: short stacking energy: -500.430 Base-Backbone interact. energy: -1.789 local terms energy: -515.326159 where: bonds (distance) C4'-P energy: -122.130 bonds (distance) P-C4' energy: -115.626 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -57.952 tors. eta vs tors. theta energy: -109.572 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: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1239.428843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.428843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.428843 (E_RNA) where: Base-Base interactions energy: -794.595 where: short stacking energy: -344.630 Base-Backbone interact. energy: 0.495 local terms energy: -445.329080 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -104.768 flat angles C4'-P-C4' energy: -105.409 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -55.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1176.358792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.358792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.358792 (E_RNA) where: Base-Base interactions energy: -759.311 where: short stacking energy: -366.968 Base-Backbone interact. energy: -4.205 local terms energy: -412.842692 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -96.136 flat angles C4'-P-C4' energy: -90.177 flat angles P-C4'-P energy: -52.330 tors. eta vs tors. theta energy: -64.305 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: 7 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -830.270867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.270867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.270867 (E_RNA) where: Base-Base interactions energy: -476.605 where: short stacking energy: -233.311 Base-Backbone interact. energy: -0.320 local terms energy: -353.346168 where: bonds (distance) C4'-P energy: -102.386 bonds (distance) P-C4' energy: -96.672 flat angles C4'-P-C4' energy: -80.938 flat angles P-C4'-P energy: -62.663 tors. eta vs tors. theta energy: -10.688 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: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2342.395101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.395101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.395101 (E_RNA) where: Base-Base interactions energy: -1664.868 where: short stacking energy: -646.136 Base-Backbone interact. energy: -0.298 local terms energy: -677.228922 where: bonds (distance) C4'-P energy: -123.179 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -145.475 flat angles P-C4'-P energy: -105.604 tors. eta vs tors. theta energy: -170.117 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: 2, replica: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2208.649152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.649152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.649152 (E_RNA) where: Base-Base interactions energy: -1574.771 where: short stacking energy: -638.883 Base-Backbone interact. energy: -2.063 local terms energy: -631.814925 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -135.623 flat angles C4'-P-C4' energy: -137.318 flat angles P-C4'-P energy: -80.256 tors. eta vs tors. theta energy: -173.283 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: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2127.251110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.251110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.251110 (E_RNA) where: Base-Base interactions energy: -1465.777 where: short stacking energy: -617.497 Base-Backbone interact. energy: -2.736 local terms energy: -658.737803 where: bonds (distance) C4'-P energy: -133.241 bonds (distance) P-C4' energy: -128.022 flat angles C4'-P-C4' energy: -137.744 flat angles P-C4'-P energy: -97.937 tors. eta vs tors. theta energy: -161.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2095.822967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.822967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.822967 (E_RNA) where: Base-Base interactions energy: -1493.468 where: short stacking energy: -621.724 Base-Backbone interact. energy: -1.738 local terms energy: -600.616630 where: bonds (distance) C4'-P energy: -116.390 bonds (distance) P-C4' energy: -97.383 flat angles C4'-P-C4' energy: -126.803 flat angles P-C4'-P energy: -91.134 tors. eta vs tors. theta energy: -168.908 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: 5, replica: 5 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1967.478841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.478841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.478841 (E_RNA) where: Base-Base interactions energy: -1386.363 where: short stacking energy: -594.839 Base-Backbone interact. energy: -1.429 local terms energy: -579.686527 where: bonds (distance) C4'-P energy: -113.921 bonds (distance) P-C4' energy: -96.025 flat angles C4'-P-C4' energy: -132.658 flat angles P-C4'-P energy: -79.823 tors. eta vs tors. theta energy: -157.260 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: 6, replica: 1 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1832.965556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.965556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.965556 (E_RNA) where: Base-Base interactions energy: -1251.709 where: short stacking energy: -538.427 Base-Backbone interact. energy: -2.820 local terms energy: -578.436143 where: bonds (distance) C4'-P energy: -102.363 bonds (distance) P-C4' energy: -109.885 flat angles C4'-P-C4' energy: -132.007 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -146.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1708.315598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.315598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.315598 (E_RNA) where: Base-Base interactions energy: -1169.578 where: short stacking energy: -482.243 Base-Backbone interact. energy: -2.122 local terms energy: -536.615437 where: bonds (distance) C4'-P energy: -98.399 bonds (distance) P-C4' energy: -109.384 flat angles C4'-P-C4' energy: -138.398 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -102.997 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: 8, replica: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1365.621521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.621521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.621521 (E_RNA) where: Base-Base interactions energy: -914.856 where: short stacking energy: -369.003 Base-Backbone interact. energy: -0.115 local terms energy: -450.649853 where: bonds (distance) C4'-P energy: -92.522 bonds (distance) P-C4' energy: -100.236 flat angles C4'-P-C4' energy: -118.054 flat angles P-C4'-P energy: -67.266 tors. eta vs tors. theta energy: -72.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1198.612942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.612942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.612942 (E_RNA) where: Base-Base interactions energy: -759.553 where: short stacking energy: -356.343 Base-Backbone interact. energy: 5.218 local terms energy: -444.278155 where: bonds (distance) C4'-P energy: -106.272 bonds (distance) P-C4' energy: -116.915 flat angles C4'-P-C4' energy: -106.498 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -55.552 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: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -777.935507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.935507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.935507 (E_RNA) where: Base-Base interactions energy: -428.129 where: short stacking energy: -223.420 Base-Backbone interact. energy: -1.728 local terms energy: -348.078435 where: bonds (distance) C4'-P energy: -96.327 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -45.550 tors. eta vs tors. theta energy: -1.982 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: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2357.488978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.488978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.488978 (E_RNA) where: Base-Base interactions energy: -1661.452 where: short stacking energy: -670.632 Base-Backbone interact. energy: -3.009 local terms energy: -693.028201 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -140.114 flat angles P-C4'-P energy: -106.302 tors. eta vs tors. theta energy: -186.009 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: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2230.669881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.669881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.669881 (E_RNA) where: Base-Base interactions energy: -1574.340 where: short stacking energy: -668.988 Base-Backbone interact. energy: -0.637 local terms energy: -655.693043 where: bonds (distance) C4'-P energy: -124.603 bonds (distance) P-C4' energy: -129.395 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -85.856 tors. eta vs tors. theta energy: -183.522 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: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2135.095035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.095035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.095035 (E_RNA) where: Base-Base interactions energy: -1503.595 where: short stacking energy: -629.075 Base-Backbone interact. energy: -6.032 local terms energy: -625.467577 where: bonds (distance) C4'-P energy: -115.136 bonds (distance) P-C4' energy: -115.302 flat angles C4'-P-C4' energy: -139.913 flat angles P-C4'-P energy: -91.737 tors. eta vs tors. theta energy: -163.379 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: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2048.760905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.760905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.760905 (E_RNA) where: Base-Base interactions energy: -1457.205 where: short stacking energy: -591.245 Base-Backbone interact. energy: -2.819 local terms energy: -588.737384 where: bonds (distance) C4'-P energy: -94.101 bonds (distance) P-C4' energy: -123.657 flat angles C4'-P-C4' energy: -131.572 flat angles P-C4'-P energy: -84.987 tors. eta vs tors. theta energy: -154.420 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: 5, replica: 5 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1980.441394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.441394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.441394 (E_RNA) where: Base-Base interactions energy: -1409.697 where: short stacking energy: -591.027 Base-Backbone interact. energy: -2.363 local terms energy: -568.381419 where: bonds (distance) C4'-P energy: -98.044 bonds (distance) P-C4' energy: -124.736 flat angles C4'-P-C4' energy: -131.325 flat angles P-C4'-P energy: -76.712 tors. eta vs tors. theta energy: -137.564 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: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1839.267323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.267323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.267323 (E_RNA) where: Base-Base interactions energy: -1257.473 where: short stacking energy: -538.476 Base-Backbone interact. energy: -3.344 local terms energy: -578.450801 where: bonds (distance) C4'-P energy: -102.370 bonds (distance) P-C4' energy: -120.677 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -89.834 tors. eta vs tors. theta energy: -138.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1714.880190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.880190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.880190 (E_RNA) where: Base-Base interactions energy: -1197.785 where: short stacking energy: -508.942 Base-Backbone interact. energy: 1.204 local terms energy: -518.299370 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -96.506 flat angles C4'-P-C4' energy: -117.118 flat angles P-C4'-P energy: -68.159 tors. eta vs tors. theta energy: -133.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1430.704291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.704291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.704291 (E_RNA) where: Base-Base interactions energy: -964.611 where: short stacking energy: -412.558 Base-Backbone interact. energy: -4.150 local terms energy: -461.943222 where: bonds (distance) C4'-P energy: -100.428 bonds (distance) P-C4' energy: -111.533 flat angles C4'-P-C4' energy: -108.848 flat angles P-C4'-P energy: -65.704 tors. eta vs tors. theta energy: -75.430 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: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1238.994775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.994775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.994775 (E_RNA) where: Base-Base interactions energy: -785.138 where: short stacking energy: -361.089 Base-Backbone interact. energy: -2.089 local terms energy: -451.767623 where: bonds (distance) C4'-P energy: -107.881 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -104.949 flat angles P-C4'-P energy: -60.205 tors. eta vs tors. theta energy: -70.185 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: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -777.429887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.429887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.429887 (E_RNA) where: Base-Base interactions energy: -410.902 where: short stacking energy: -210.757 Base-Backbone interact. energy: 3.956 local terms energy: -370.483632 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -94.556 flat angles C4'-P-C4' energy: -90.088 flat angles P-C4'-P energy: -80.183 tors. eta vs tors. theta energy: -0.806 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: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2333.316290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.316290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.316290 (E_RNA) where: Base-Base interactions energy: -1645.007 where: short stacking energy: -679.743 Base-Backbone interact. energy: -3.701 local terms energy: -684.608515 where: bonds (distance) C4'-P energy: -128.979 bonds (distance) P-C4' energy: -130.356 flat angles C4'-P-C4' energy: -149.618 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -190.111 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: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2241.205496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.205496 (E_RNA) where: Base-Base interactions energy: -1567.110 where: short stacking energy: -637.932 Base-Backbone interact. energy: -5.474 local terms energy: -668.621834 where: bonds (distance) C4'-P energy: -122.599 bonds (distance) P-C4' energy: -135.236 flat angles C4'-P-C4' energy: -146.294 flat angles P-C4'-P energy: -88.614 tors. eta vs tors. theta energy: -175.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2178.820676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.820676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.820676 (E_RNA) where: Base-Base interactions energy: -1525.172 where: short stacking energy: -632.629 Base-Backbone interact. energy: -3.151 local terms energy: -650.497921 where: bonds (distance) C4'-P energy: -127.785 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -166.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2059.742561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.742561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.742561 (E_RNA) where: Base-Base interactions energy: -1440.566 where: short stacking energy: -591.204 Base-Backbone interact. energy: -2.609 local terms energy: -616.567346 where: bonds (distance) C4'-P energy: -118.238 bonds (distance) P-C4' energy: -119.929 flat angles C4'-P-C4' energy: -125.572 flat angles P-C4'-P energy: -93.580 tors. eta vs tors. theta energy: -159.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1975.005649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.005649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.005649 (E_RNA) where: Base-Base interactions energy: -1382.764 where: short stacking energy: -570.521 Base-Backbone interact. energy: -4.921 local terms energy: -587.321537 where: bonds (distance) C4'-P energy: -111.272 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -128.655 flat angles P-C4'-P energy: -81.245 tors. eta vs tors. theta energy: -154.812 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: 1 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1841.705755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.705755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.705755 (E_RNA) where: Base-Base interactions energy: -1258.209 where: short stacking energy: -546.536 Base-Backbone interact. energy: 1.993 local terms energy: -585.489314 where: bonds (distance) C4'-P energy: -95.235 bonds (distance) P-C4' energy: -125.631 flat angles C4'-P-C4' energy: -138.491 flat angles P-C4'-P energy: -76.891 tors. eta vs tors. theta energy: -149.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1681.585964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.585964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.585964 (E_RNA) where: Base-Base interactions energy: -1134.474 where: short stacking energy: -499.729 Base-Backbone interact. energy: 1.650 local terms energy: -548.762063 where: bonds (distance) C4'-P energy: -108.312 bonds (distance) P-C4' energy: -95.439 flat angles C4'-P-C4' energy: -124.815 flat angles P-C4'-P energy: -95.857 tors. eta vs tors. theta energy: -124.339 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: 8, replica: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1440.796149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.796149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.796149 (E_RNA) where: Base-Base interactions energy: -975.144 where: short stacking energy: -422.912 Base-Backbone interact. energy: 0.005 local terms energy: -465.657123 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -104.654 flat angles C4'-P-C4' energy: -113.204 flat angles P-C4'-P energy: -58.937 tors. eta vs tors. theta energy: -76.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1199.327550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.327550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.327550 (E_RNA) where: Base-Base interactions energy: -758.976 where: short stacking energy: -336.928 Base-Backbone interact. energy: -0.099 local terms energy: -440.252405 where: bonds (distance) C4'-P energy: -113.791 bonds (distance) P-C4' energy: -112.237 flat angles C4'-P-C4' energy: -103.972 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -57.216 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: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -872.665419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.665419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.665419 (E_RNA) where: Base-Base interactions energy: -512.717 where: short stacking energy: -233.773 Base-Backbone interact. energy: -1.583 local terms energy: -358.365599 where: bonds (distance) C4'-P energy: -97.132 bonds (distance) P-C4' energy: -126.024 flat angles C4'-P-C4' energy: -80.192 flat angles P-C4'-P energy: -39.146 tors. eta vs tors. theta energy: -15.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2348.232662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.232662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.232662 (E_RNA) where: Base-Base interactions energy: -1646.314 where: short stacking energy: -675.088 Base-Backbone interact. energy: -4.597 local terms energy: -697.321235 where: bonds (distance) C4'-P energy: -136.169 bonds (distance) P-C4' energy: -132.799 flat angles C4'-P-C4' energy: -138.406 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -194.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2254.686339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.686339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.686339 (E_RNA) where: Base-Base interactions energy: -1599.055 where: short stacking energy: -671.347 Base-Backbone interact. energy: -5.771 local terms energy: -649.861044 where: bonds (distance) C4'-P energy: -115.594 bonds (distance) P-C4' energy: -118.973 flat angles C4'-P-C4' energy: -144.962 flat angles P-C4'-P energy: -91.307 tors. eta vs tors. theta energy: -179.023 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: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2125.765229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.765229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.765229 (E_RNA) where: Base-Base interactions energy: -1492.807 where: short stacking energy: -630.213 Base-Backbone interact. energy: -0.638 local terms energy: -632.319731 where: bonds (distance) C4'-P energy: -110.939 bonds (distance) P-C4' energy: -131.645 flat angles C4'-P-C4' energy: -134.648 flat angles P-C4'-P energy: -94.835 tors. eta vs tors. theta energy: -160.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2066.753074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.753074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.753074 (E_RNA) where: Base-Base interactions energy: -1447.466 where: short stacking energy: -600.410 Base-Backbone interact. energy: -2.668 local terms energy: -616.619940 where: bonds (distance) C4'-P energy: -113.257 bonds (distance) P-C4' energy: -115.911 flat angles C4'-P-C4' energy: -133.632 flat angles P-C4'-P energy: -102.971 tors. eta vs tors. theta energy: -150.847 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: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1979.921331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.921331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.921331 (E_RNA) where: Base-Base interactions energy: -1385.342 where: short stacking energy: -574.537 Base-Backbone interact. energy: -4.163 local terms energy: -590.415550 where: bonds (distance) C4'-P energy: -109.782 bonds (distance) P-C4' energy: -127.967 flat angles C4'-P-C4' energy: -129.605 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -143.334 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: 1 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1878.183122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.183122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.183122 (E_RNA) where: Base-Base interactions energy: -1277.441 where: short stacking energy: -542.894 Base-Backbone interact. energy: -3.061 local terms energy: -597.680329 where: bonds (distance) C4'-P energy: -115.863 bonds (distance) P-C4' energy: -113.835 flat angles C4'-P-C4' energy: -142.500 flat angles P-C4'-P energy: -79.476 tors. eta vs tors. theta energy: -146.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1676.539794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.539794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.539794 (E_RNA) where: Base-Base interactions energy: -1157.323 where: short stacking energy: -485.692 Base-Backbone interact. energy: 1.142 local terms energy: -520.359259 where: bonds (distance) C4'-P energy: -98.823 bonds (distance) P-C4' energy: -108.611 flat angles C4'-P-C4' energy: -129.801 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -115.019 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: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1494.883366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.883366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.883366 (E_RNA) where: Base-Base interactions energy: -972.444 where: short stacking energy: -391.930 Base-Backbone interact. energy: 0.677 local terms energy: -523.116803 where: bonds (distance) C4'-P energy: -118.545 bonds (distance) P-C4' energy: -114.418 flat angles C4'-P-C4' energy: -124.146 flat angles P-C4'-P energy: -72.575 tors. eta vs tors. theta energy: -93.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1228.586159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.586159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.586159 (E_RNA) where: Base-Base interactions energy: -807.814 where: short stacking energy: -389.079 Base-Backbone interact. energy: 4.010 local terms energy: -424.783065 where: bonds (distance) C4'-P energy: -86.296 bonds (distance) P-C4' energy: -82.055 flat angles C4'-P-C4' energy: -108.345 flat angles P-C4'-P energy: -69.852 tors. eta vs tors. theta energy: -78.235 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: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -908.274689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.274689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.274689 (E_RNA) where: Base-Base interactions energy: -517.813 where: short stacking energy: -260.004 Base-Backbone interact. energy: 5.956 local terms energy: -396.417403 where: bonds (distance) C4'-P energy: -101.619 bonds (distance) P-C4' energy: -110.057 flat angles C4'-P-C4' energy: -98.416 flat angles P-C4'-P energy: -59.028 tors. eta vs tors. theta energy: -27.298 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: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2333.446285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.446285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.446285 (E_RNA) where: Base-Base interactions energy: -1648.112 where: short stacking energy: -679.475 Base-Backbone interact. energy: -4.574 local terms energy: -680.759536 where: bonds (distance) C4'-P energy: -143.297 bonds (distance) P-C4' energy: -115.552 flat angles C4'-P-C4' energy: -143.132 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -188.005 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: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2246.827647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.827647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.827647 (E_RNA) where: Base-Base interactions energy: -1572.641 where: short stacking energy: -667.768 Base-Backbone interact. energy: -7.173 local terms energy: -667.014166 where: bonds (distance) C4'-P energy: -128.069 bonds (distance) P-C4' energy: -114.021 flat angles C4'-P-C4' energy: -145.600 flat angles P-C4'-P energy: -91.367 tors. eta vs tors. theta energy: -187.957 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: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2154.815542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.815542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.815542 (E_RNA) where: Base-Base interactions energy: -1483.092 where: short stacking energy: -634.363 Base-Backbone interact. energy: -2.467 local terms energy: -669.256140 where: bonds (distance) C4'-P energy: -134.693 bonds (distance) P-C4' energy: -134.223 flat angles C4'-P-C4' energy: -145.238 flat angles P-C4'-P energy: -90.658 tors. eta vs tors. theta energy: -164.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2059.693378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.693378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.693378 (E_RNA) where: Base-Base interactions energy: -1440.411 where: short stacking energy: -594.439 Base-Backbone interact. energy: -3.465 local terms energy: -615.817857 where: bonds (distance) C4'-P energy: -113.419 bonds (distance) P-C4' energy: -118.506 flat angles C4'-P-C4' energy: -126.063 flat angles P-C4'-P energy: -90.362 tors. eta vs tors. theta energy: -167.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1978.218563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.218563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.218563 (E_RNA) where: Base-Base interactions energy: -1392.877 where: short stacking energy: -586.528 Base-Backbone interact. energy: 1.644 local terms energy: -586.985903 where: bonds (distance) C4'-P energy: -120.242 bonds (distance) P-C4' energy: -107.668 flat angles C4'-P-C4' energy: -131.044 flat angles P-C4'-P energy: -89.109 tors. eta vs tors. theta energy: -138.923 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: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1833.557700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.557700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.557700 (E_RNA) where: Base-Base interactions energy: -1230.293 where: short stacking energy: -535.966 Base-Backbone interact. energy: -4.443 local terms energy: -598.821824 where: bonds (distance) C4'-P energy: -129.860 bonds (distance) P-C4' energy: -122.439 flat angles C4'-P-C4' energy: -133.421 flat angles P-C4'-P energy: -80.581 tors. eta vs tors. theta energy: -132.520 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: 7, replica: 8 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1689.533467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.533467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.533467 (E_RNA) where: Base-Base interactions energy: -1140.832 where: short stacking energy: -493.034 Base-Backbone interact. energy: 0.033 local terms energy: -548.733709 where: bonds (distance) C4'-P energy: -112.855 bonds (distance) P-C4' energy: -105.108 flat angles C4'-P-C4' energy: -128.478 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -128.962 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: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1463.349032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.349032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.349032 (E_RNA) where: Base-Base interactions energy: -982.412 where: short stacking energy: -413.031 Base-Backbone interact. energy: -0.118 local terms energy: -480.819364 where: bonds (distance) C4'-P energy: -110.639 bonds (distance) P-C4' energy: -98.820 flat angles C4'-P-C4' energy: -119.048 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -71.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1233.259343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.259343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.259343 (E_RNA) where: Base-Base interactions energy: -801.424 where: short stacking energy: -354.348 Base-Backbone interact. energy: -0.637 local terms energy: -431.198328 where: bonds (distance) C4'-P energy: -124.861 bonds (distance) P-C4' energy: -98.973 flat angles C4'-P-C4' energy: -91.300 flat angles P-C4'-P energy: -56.825 tors. eta vs tors. theta energy: -59.240 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: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -879.372649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.372649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.372649 (E_RNA) where: Base-Base interactions energy: -525.032 where: short stacking energy: -268.045 Base-Backbone interact. energy: 0.529 local terms energy: -354.869197 where: bonds (distance) C4'-P energy: -78.363 bonds (distance) P-C4' energy: -110.671 flat angles C4'-P-C4' energy: -85.661 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -23.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2337.292674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.292674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.292674 (E_RNA) where: Base-Base interactions energy: -1649.998 where: short stacking energy: -663.270 Base-Backbone interact. energy: 0.833 local terms energy: -688.127345 where: bonds (distance) C4'-P energy: -128.064 bonds (distance) P-C4' energy: -132.831 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -103.053 tors. eta vs tors. theta energy: -174.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2220.688647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.688647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.688647 (E_RNA) where: Base-Base interactions energy: -1549.578 where: short stacking energy: -637.181 Base-Backbone interact. energy: -1.649 local terms energy: -669.462209 where: bonds (distance) C4'-P energy: -119.323 bonds (distance) P-C4' energy: -135.503 flat angles C4'-P-C4' energy: -147.483 flat angles P-C4'-P energy: -91.306 tors. eta vs tors. theta energy: -175.848 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: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2159.597534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.597534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.597534 (E_RNA) where: Base-Base interactions energy: -1493.107 where: short stacking energy: -628.016 Base-Backbone interact. energy: -1.662 local terms energy: -664.828084 where: bonds (distance) C4'-P energy: -125.836 bonds (distance) P-C4' energy: -122.519 flat angles C4'-P-C4' energy: -151.797 flat angles P-C4'-P energy: -93.141 tors. eta vs tors. theta energy: -171.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2048.593573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.593573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.593573 (E_RNA) where: Base-Base interactions energy: -1431.280 where: short stacking energy: -606.060 Base-Backbone interact. energy: -1.127 local terms energy: -616.186943 where: bonds (distance) C4'-P energy: -114.184 bonds (distance) P-C4' energy: -121.640 flat angles C4'-P-C4' energy: -127.654 flat angles P-C4'-P energy: -91.518 tors. eta vs tors. theta energy: -161.191 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: 5 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1939.765909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.765909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.765909 (E_RNA) where: Base-Base interactions energy: -1330.938 where: short stacking energy: -593.985 Base-Backbone interact. energy: 0.375 local terms energy: -609.203138 where: bonds (distance) C4'-P energy: -106.400 bonds (distance) P-C4' energy: -119.130 flat angles C4'-P-C4' energy: -138.249 flat angles P-C4'-P energy: -95.856 tors. eta vs tors. theta energy: -149.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1823.742212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.742212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.742212 (E_RNA) where: Base-Base interactions energy: -1233.600 where: short stacking energy: -542.177 Base-Backbone interact. energy: 0.468 local terms energy: -590.609492 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -112.946 flat angles C4'-P-C4' energy: -138.973 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -134.516 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1746.684670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.684670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.684670 (E_RNA) where: Base-Base interactions energy: -1189.512 where: short stacking energy: -511.760 Base-Backbone interact. energy: -1.502 local terms energy: -555.670938 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -115.933 flat angles C4'-P-C4' energy: -132.504 flat angles P-C4'-P energy: -76.749 tors. eta vs tors. theta energy: -133.787 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: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1475.254831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.254831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.254831 (E_RNA) where: Base-Base interactions energy: -1005.867 where: short stacking energy: -423.496 Base-Backbone interact. energy: -3.789 local terms energy: -465.598940 where: bonds (distance) C4'-P energy: -91.677 bonds (distance) P-C4' energy: -123.616 flat angles C4'-P-C4' energy: -97.432 flat angles P-C4'-P energy: -71.011 tors. eta vs tors. theta energy: -81.864 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: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1223.179734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.179734 (E_RNA) where: Base-Base interactions energy: -779.918 where: short stacking energy: -347.568 Base-Backbone interact. energy: 0.267 local terms energy: -443.528507 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -119.075 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -76.135 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: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -853.149367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.149367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.149367 (E_RNA) where: Base-Base interactions energy: -464.957 where: short stacking energy: -262.824 Base-Backbone interact. energy: -5.988 local terms energy: -382.204414 where: bonds (distance) C4'-P energy: -99.440 bonds (distance) P-C4' energy: -117.528 flat angles C4'-P-C4' energy: -104.215 flat angles P-C4'-P energy: -50.155 tors. eta vs tors. theta energy: -10.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2307.024785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.024785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.024785 (E_RNA) where: Base-Base interactions energy: -1642.838 where: short stacking energy: -670.282 Base-Backbone interact. energy: 0.399 local terms energy: -664.585856 where: bonds (distance) C4'-P energy: -128.875 bonds (distance) P-C4' energy: -121.150 flat angles C4'-P-C4' energy: -132.757 flat angles P-C4'-P energy: -93.804 tors. eta vs tors. theta energy: -188.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2212.536582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.536582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.536582 (E_RNA) where: Base-Base interactions energy: -1537.873 where: short stacking energy: -632.689 Base-Backbone interact. energy: -4.549 local terms energy: -670.114516 where: bonds (distance) C4'-P energy: -124.925 bonds (distance) P-C4' energy: -130.194 flat angles C4'-P-C4' energy: -159.769 flat angles P-C4'-P energy: -93.149 tors. eta vs tors. theta energy: -162.078 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: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2142.236291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.236291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.236291 (E_RNA) where: Base-Base interactions energy: -1500.581 where: short stacking energy: -622.908 Base-Backbone interact. energy: -1.053 local terms energy: -640.603061 where: bonds (distance) C4'-P energy: -117.109 bonds (distance) P-C4' energy: -124.013 flat angles C4'-P-C4' energy: -148.371 flat angles P-C4'-P energy: -88.325 tors. eta vs tors. theta energy: -162.785 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: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2042.573064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.573064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.573064 (E_RNA) where: Base-Base interactions energy: -1440.654 where: short stacking energy: -609.665 Base-Backbone interact. energy: -2.859 local terms energy: -599.059798 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -122.971 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -77.732 tors. eta vs tors. theta energy: -156.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1974.467562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.467562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.467562 (E_RNA) where: Base-Base interactions energy: -1401.591 where: short stacking energy: -576.175 Base-Backbone interact. energy: -1.270 local terms energy: -571.606406 where: bonds (distance) C4'-P energy: -116.045 bonds (distance) P-C4' energy: -104.309 flat angles C4'-P-C4' energy: -122.475 flat angles P-C4'-P energy: -86.530 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: 6, replica: 1 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1805.233120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.233120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.233120 (E_RNA) where: Base-Base interactions energy: -1232.393 where: short stacking energy: -513.449 Base-Backbone interact. energy: -3.763 local terms energy: -569.077621 where: bonds (distance) C4'-P energy: -105.570 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -137.887 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -141.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1716.079939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.079939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.079939 (E_RNA) where: Base-Base interactions energy: -1165.081 where: short stacking energy: -511.344 Base-Backbone interact. energy: -2.752 local terms energy: -548.247144 where: bonds (distance) C4'-P energy: -108.036 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -124.114 flat angles P-C4'-P energy: -89.025 tors. eta vs tors. theta energy: -118.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1468.759088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.759088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.759088 (E_RNA) where: Base-Base interactions energy: -979.494 where: short stacking energy: -421.940 Base-Backbone interact. energy: 1.023 local terms energy: -490.288159 where: bonds (distance) C4'-P energy: -101.784 bonds (distance) P-C4' energy: -112.287 flat angles C4'-P-C4' energy: -123.007 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -89.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1198.089638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.089638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.089638 (E_RNA) where: Base-Base interactions energy: -766.450 where: short stacking energy: -350.520 Base-Backbone interact. energy: 1.962 local terms energy: -433.601589 where: bonds (distance) C4'-P energy: -115.138 bonds (distance) P-C4' energy: -101.901 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -49.783 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: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -931.921690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.921690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.921690 (E_RNA) where: Base-Base interactions energy: -547.563 where: short stacking energy: -278.368 Base-Backbone interact. energy: -0.337 local terms energy: -384.021804 where: bonds (distance) C4'-P energy: -102.670 bonds (distance) P-C4' energy: -110.401 flat angles C4'-P-C4' energy: -98.979 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -14.267 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: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2321.538188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.538188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.538188 (E_RNA) where: Base-Base interactions energy: -1626.871 where: short stacking energy: -666.611 Base-Backbone interact. energy: 4.115 local terms energy: -698.782714 where: bonds (distance) C4'-P energy: -137.488 bonds (distance) P-C4' energy: -134.302 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -87.854 tors. eta vs tors. theta energy: -192.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2167.213721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.213721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.213721 (E_RNA) where: Base-Base interactions energy: -1546.321 where: short stacking energy: -614.196 Base-Backbone interact. energy: -3.195 local terms energy: -617.696976 where: bonds (distance) C4'-P energy: -127.182 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -127.957 flat angles P-C4'-P energy: -82.274 tors. eta vs tors. theta energy: -164.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2157.740296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.740296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.740296 (E_RNA) where: Base-Base interactions energy: -1517.698 where: short stacking energy: -640.847 Base-Backbone interact. energy: -3.704 local terms energy: -636.337924 where: bonds (distance) C4'-P energy: -122.752 bonds (distance) P-C4' energy: -134.099 flat angles C4'-P-C4' energy: -126.238 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -167.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2094.579951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.579951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.579951 (E_RNA) where: Base-Base interactions energy: -1475.603 where: short stacking energy: -625.270 Base-Backbone interact. energy: -4.296 local terms energy: -614.680848 where: bonds (distance) C4'-P energy: -113.838 bonds (distance) P-C4' energy: -122.764 flat angles C4'-P-C4' energy: -126.007 flat angles P-C4'-P energy: -77.150 tors. eta vs tors. theta energy: -174.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2000.611674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.611674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.611674 (E_RNA) where: Base-Base interactions energy: -1387.416 where: short stacking energy: -601.065 Base-Backbone interact. energy: -3.248 local terms energy: -609.948237 where: bonds (distance) C4'-P energy: -102.670 bonds (distance) P-C4' energy: -125.982 flat angles C4'-P-C4' energy: -140.090 flat angles P-C4'-P energy: -86.851 tors. eta vs tors. theta energy: -154.356 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: 8 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1792.793793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.793793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.793793 (E_RNA) where: Base-Base interactions energy: -1196.757 where: short stacking energy: -521.995 Base-Backbone interact. energy: -4.111 local terms energy: -591.925926 where: bonds (distance) C4'-P energy: -116.658 bonds (distance) P-C4' energy: -109.226 flat angles C4'-P-C4' energy: -135.315 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -147.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1766.162335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.162335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.162335 (E_RNA) where: Base-Base interactions energy: -1227.596 where: short stacking energy: -533.386 Base-Backbone interact. energy: -1.996 local terms energy: -536.570789 where: bonds (distance) C4'-P energy: -103.983 bonds (distance) P-C4' energy: -104.452 flat angles C4'-P-C4' energy: -113.591 flat angles P-C4'-P energy: -81.496 tors. eta vs tors. theta energy: -133.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1521.042260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.042260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.042260 (E_RNA) where: Base-Base interactions energy: -1011.829 where: short stacking energy: -437.767 Base-Backbone interact. energy: -0.044 local terms energy: -509.168877 where: bonds (distance) C4'-P energy: -105.632 bonds (distance) P-C4' energy: -107.175 flat angles C4'-P-C4' energy: -136.301 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -95.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1200.532218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.532218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.532218 (E_RNA) where: Base-Base interactions energy: -799.288 where: short stacking energy: -350.395 Base-Backbone interact. energy: -2.693 local terms energy: -398.551177 where: bonds (distance) C4'-P energy: -104.478 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -94.329 flat angles P-C4'-P energy: -60.142 tors. eta vs tors. theta energy: -32.661 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: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -881.057462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.057462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.057462 (E_RNA) where: Base-Base interactions energy: -498.646 where: short stacking energy: -265.638 Base-Backbone interact. energy: -0.432 local terms energy: -381.979074 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -110.255 flat angles C4'-P-C4' energy: -93.119 flat angles P-C4'-P energy: -52.766 tors. eta vs tors. theta energy: -13.412 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: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2348.698942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.698942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.698942 (E_RNA) where: Base-Base interactions energy: -1677.346 where: short stacking energy: -686.559 Base-Backbone interact. energy: 0.900 local terms energy: -672.252745 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -127.962 flat angles C4'-P-C4' energy: -147.650 flat angles P-C4'-P energy: -97.716 tors. eta vs tors. theta energy: -186.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2219.530975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.530975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.530975 (E_RNA) where: Base-Base interactions energy: -1557.659 where: short stacking energy: -656.273 Base-Backbone interact. energy: -5.513 local terms energy: -656.358910 where: bonds (distance) C4'-P energy: -122.444 bonds (distance) P-C4' energy: -130.047 flat angles C4'-P-C4' energy: -136.860 flat angles P-C4'-P energy: -90.966 tors. eta vs tors. theta energy: -176.043 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: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2125.399931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.399931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.399931 (E_RNA) where: Base-Base interactions energy: -1479.544 where: short stacking energy: -618.536 Base-Backbone interact. energy: -5.642 local terms energy: -640.213720 where: bonds (distance) C4'-P energy: -137.772 bonds (distance) P-C4' energy: -115.214 flat angles C4'-P-C4' energy: -136.687 flat angles P-C4'-P energy: -94.259 tors. eta vs tors. theta energy: -156.282 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: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2066.833867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.833867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.833867 (E_RNA) where: Base-Base interactions energy: -1444.287 where: short stacking energy: -618.023 Base-Backbone interact. energy: -2.564 local terms energy: -619.982352 where: bonds (distance) C4'-P energy: -106.655 bonds (distance) P-C4' energy: -115.536 flat angles C4'-P-C4' energy: -147.563 flat angles P-C4'-P energy: -85.071 tors. eta vs tors. theta energy: -165.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1997.824614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.824614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.824614 (E_RNA) where: Base-Base interactions energy: -1398.737 where: short stacking energy: -593.024 Base-Backbone interact. energy: -0.025 local terms energy: -599.062084 where: bonds (distance) C4'-P energy: -98.009 bonds (distance) P-C4' energy: -131.638 flat angles C4'-P-C4' energy: -140.355 flat angles P-C4'-P energy: -82.099 tors. eta vs tors. theta energy: -146.961 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: 8 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1804.657357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.657357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.657357 (E_RNA) where: Base-Base interactions energy: -1245.977 where: short stacking energy: -541.679 Base-Backbone interact. energy: 3.442 local terms energy: -562.122635 where: bonds (distance) C4'-P energy: -112.485 bonds (distance) P-C4' energy: -96.910 flat angles C4'-P-C4' energy: -125.069 flat angles P-C4'-P energy: -82.491 tors. eta vs tors. theta energy: -145.167 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: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1730.949414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.949414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.949414 (E_RNA) where: Base-Base interactions energy: -1196.536 where: short stacking energy: -525.559 Base-Backbone interact. energy: -0.363 local terms energy: -534.049820 where: bonds (distance) C4'-P energy: -100.212 bonds (distance) P-C4' energy: -118.074 flat angles C4'-P-C4' energy: -124.007 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -137.582 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: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1484.790466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.790466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.790466 (E_RNA) where: Base-Base interactions energy: -986.332 where: short stacking energy: -409.418 Base-Backbone interact. energy: -3.276 local terms energy: -495.183045 where: bonds (distance) C4'-P energy: -118.186 bonds (distance) P-C4' energy: -115.765 flat angles C4'-P-C4' energy: -128.859 flat angles P-C4'-P energy: -57.795 tors. eta vs tors. theta energy: -74.578 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: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1270.121230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.121230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.121230 (E_RNA) where: Base-Base interactions energy: -803.978 where: short stacking energy: -358.802 Base-Backbone interact. energy: -0.516 local terms energy: -465.627169 where: bonds (distance) C4'-P energy: -117.031 bonds (distance) P-C4' energy: -124.973 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -62.806 tors. eta vs tors. theta energy: -58.450 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: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -853.395830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.395830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.395830 (E_RNA) where: Base-Base interactions energy: -499.922 where: short stacking energy: -250.349 Base-Backbone interact. energy: 0.884 local terms energy: -354.357848 where: bonds (distance) C4'-P energy: -96.693 bonds (distance) P-C4' energy: -107.253 flat angles C4'-P-C4' energy: -97.406 flat angles P-C4'-P energy: -38.322 tors. eta vs tors. theta energy: -14.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2338.472072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.472072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.472072 (E_RNA) where: Base-Base interactions energy: -1637.406 where: short stacking energy: -670.658 Base-Backbone interact. energy: -2.612 local terms energy: -698.453574 where: bonds (distance) C4'-P energy: -128.592 bonds (distance) P-C4' energy: -135.652 flat angles C4'-P-C4' energy: -156.461 flat angles P-C4'-P energy: -97.427 tors. eta vs tors. theta energy: -180.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2250.103086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.103086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.103086 (E_RNA) where: Base-Base interactions energy: -1566.319 where: short stacking energy: -640.332 Base-Backbone interact. energy: 0.146 local terms energy: -683.929746 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -127.377 flat angles C4'-P-C4' energy: -147.168 flat angles P-C4'-P energy: -99.928 tors. eta vs tors. theta energy: -173.328 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: 3, replica: 3 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2179.173442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.173442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.173442 (E_RNA) where: Base-Base interactions energy: -1554.590 where: short stacking energy: -638.324 Base-Backbone interact. energy: -9.259 local terms energy: -615.324108 where: bonds (distance) C4'-P energy: -124.429 bonds (distance) P-C4' energy: -111.459 flat angles C4'-P-C4' energy: -142.990 flat angles P-C4'-P energy: -79.503 tors. eta vs tors. theta energy: -156.944 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: 4, replica: 5 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2062.806077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.806077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.806077 (E_RNA) where: Base-Base interactions energy: -1443.085 where: short stacking energy: -599.877 Base-Backbone interact. energy: -2.764 local terms energy: -616.957558 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -108.308 flat angles C4'-P-C4' energy: -138.006 flat angles P-C4'-P energy: -81.483 tors. eta vs tors. theta energy: -172.298 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2032.268709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.268709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.268709 (E_RNA) where: Base-Base interactions energy: -1430.856 where: short stacking energy: -586.999 Base-Backbone interact. energy: -1.940 local terms energy: -599.472697 where: bonds (distance) C4'-P energy: -108.322 bonds (distance) P-C4' energy: -124.920 flat angles C4'-P-C4' energy: -124.720 flat angles P-C4'-P energy: -90.450 tors. eta vs tors. theta energy: -151.060 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: 1 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1829.845859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.845859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.845859 (E_RNA) where: Base-Base interactions energy: -1272.256 where: short stacking energy: -552.207 Base-Backbone interact. energy: -3.535 local terms energy: -554.055373 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -113.090 flat angles C4'-P-C4' energy: -136.452 flat angles P-C4'-P energy: -55.328 tors. eta vs tors. theta energy: -159.590 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: 167 Temperature: 1.200000 Total energy: -1714.873302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.873302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.873302 (E_RNA) where: Base-Base interactions energy: -1168.002 where: short stacking energy: -504.289 Base-Backbone interact. energy: -3.193 local terms energy: -543.678283 where: bonds (distance) C4'-P energy: -101.986 bonds (distance) P-C4' energy: -109.465 flat angles C4'-P-C4' energy: -116.751 flat angles P-C4'-P energy: -88.832 tors. eta vs tors. theta energy: -126.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1466.052144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.052144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.052144 (E_RNA) where: Base-Base interactions energy: -1004.585 where: short stacking energy: -402.802 Base-Backbone interact. energy: 0.943 local terms energy: -462.410949 where: bonds (distance) C4'-P energy: -104.753 bonds (distance) P-C4' energy: -88.475 flat angles C4'-P-C4' energy: -104.140 flat angles P-C4'-P energy: -80.680 tors. eta vs tors. theta energy: -84.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1235.878498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.878498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.878498 (E_RNA) where: Base-Base interactions energy: -773.907 where: short stacking energy: -363.125 Base-Backbone interact. energy: -1.693 local terms energy: -460.278578 where: bonds (distance) C4'-P energy: -112.148 bonds (distance) P-C4' energy: -109.135 flat angles C4'-P-C4' energy: -107.346 flat angles P-C4'-P energy: -62.692 tors. eta vs tors. theta energy: -68.957 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: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -833.182680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.182680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.182680 (E_RNA) where: Base-Base interactions energy: -466.922 where: short stacking energy: -248.366 Base-Backbone interact. energy: -1.661 local terms energy: -364.599177 where: bonds (distance) C4'-P energy: -102.478 bonds (distance) P-C4' energy: -81.592 flat angles C4'-P-C4' energy: -112.233 flat angles P-C4'-P energy: -59.777 tors. eta vs tors. theta energy: -8.520 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: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2322.979663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.979663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.979663 (E_RNA) where: Base-Base interactions energy: -1617.571 where: short stacking energy: -680.177 Base-Backbone interact. energy: -1.943 local terms energy: -703.465791 where: bonds (distance) C4'-P energy: -143.641 bonds (distance) P-C4' energy: -138.711 flat angles C4'-P-C4' energy: -147.148 flat angles P-C4'-P energy: -93.028 tors. eta vs tors. theta energy: -180.938 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: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2223.275315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.275315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.275315 (E_RNA) where: Base-Base interactions energy: -1574.225 where: short stacking energy: -656.263 Base-Backbone interact. energy: 0.424 local terms energy: -649.474920 where: bonds (distance) C4'-P energy: -135.425 bonds (distance) P-C4' energy: -130.964 flat angles C4'-P-C4' energy: -143.148 flat angles P-C4'-P energy: -89.432 tors. eta vs tors. theta energy: -150.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2142.913992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.913992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.913992 (E_RNA) where: Base-Base interactions energy: -1483.394 where: short stacking energy: -633.938 Base-Backbone interact. energy: -0.464 local terms energy: -659.055389 where: bonds (distance) C4'-P energy: -116.893 bonds (distance) P-C4' energy: -120.013 flat angles C4'-P-C4' energy: -146.996 flat angles P-C4'-P energy: -95.268 tors. eta vs tors. theta energy: -179.885 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: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2114.877965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.877965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.877965 (E_RNA) where: Base-Base interactions energy: -1476.681 where: short stacking energy: -615.440 Base-Backbone interact. energy: 0.696 local terms energy: -638.892972 where: bonds (distance) C4'-P energy: -118.670 bonds (distance) P-C4' energy: -112.693 flat angles C4'-P-C4' energy: -140.321 flat angles P-C4'-P energy: -97.191 tors. eta vs tors. theta energy: -170.017 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: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1965.160027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.160027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.160027 (E_RNA) where: Base-Base interactions energy: -1370.854 where: short stacking energy: -578.711 Base-Backbone interact. energy: 1.134 local terms energy: -595.439760 where: bonds (distance) C4'-P energy: -124.466 bonds (distance) P-C4' energy: -109.709 flat angles C4'-P-C4' energy: -131.991 flat angles P-C4'-P energy: -84.766 tors. eta vs tors. theta energy: -144.507 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: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1875.033559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.033559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.033559 (E_RNA) where: Base-Base interactions energy: -1306.474 where: short stacking energy: -541.317 Base-Backbone interact. energy: 0.784 local terms energy: -569.343295 where: bonds (distance) C4'-P energy: -101.311 bonds (distance) P-C4' energy: -113.206 flat angles C4'-P-C4' energy: -125.324 flat angles P-C4'-P energy: -90.542 tors. eta vs tors. theta energy: -138.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1740.485985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.485985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.485985 (E_RNA) where: Base-Base interactions energy: -1225.894 where: short stacking energy: -512.817 Base-Backbone interact. energy: -2.136 local terms energy: -512.455910 where: bonds (distance) C4'-P energy: -106.860 bonds (distance) P-C4' energy: -90.359 flat angles C4'-P-C4' energy: -126.242 flat angles P-C4'-P energy: -73.533 tors. eta vs tors. theta energy: -115.463 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: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1421.707086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.707086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.707086 (E_RNA) where: Base-Base interactions energy: -931.222 where: short stacking energy: -392.948 Base-Backbone interact. energy: -4.308 local terms energy: -486.177753 where: bonds (distance) C4'-P energy: -124.278 bonds (distance) P-C4' energy: -106.704 flat angles C4'-P-C4' energy: -112.939 flat angles P-C4'-P energy: -69.155 tors. eta vs tors. theta energy: -73.102 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: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1159.954339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.954339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.954339 (E_RNA) where: Base-Base interactions energy: -722.056 where: short stacking energy: -333.056 Base-Backbone interact. energy: 0.921 local terms energy: -438.820023 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -119.840 flat angles C4'-P-C4' energy: -98.486 flat angles P-C4'-P energy: -72.296 tors. eta vs tors. theta energy: -59.406 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -965.260701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.260701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.260701 (E_RNA) where: Base-Base interactions energy: -583.293 where: short stacking energy: -291.804 Base-Backbone interact. energy: 0.283 local terms energy: -382.250591 where: bonds (distance) C4'-P energy: -100.465 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -97.933 flat angles P-C4'-P energy: -42.661 tors. eta vs tors. theta energy: -35.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2326.868328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.868328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.868328 (E_RNA) where: Base-Base interactions energy: -1623.492 where: short stacking energy: -658.382 Base-Backbone interact. energy: -1.940 local terms energy: -701.436153 where: bonds (distance) C4'-P energy: -126.551 bonds (distance) P-C4' energy: -131.965 flat angles C4'-P-C4' energy: -145.728 flat angles P-C4'-P energy: -111.317 tors. eta vs tors. theta energy: -185.876 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2226.762240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.762240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.762240 (E_RNA) where: Base-Base interactions energy: -1552.490 where: short stacking energy: -631.291 Base-Backbone interact. energy: -2.465 local terms energy: -671.807316 where: bonds (distance) C4'-P energy: -129.119 bonds (distance) P-C4' energy: -125.688 flat angles C4'-P-C4' energy: -149.256 flat angles P-C4'-P energy: -102.162 tors. eta vs tors. theta energy: -165.582 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: 169 Temperature: 1.000000 Total energy: -2200.138162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.138162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.138162 (E_RNA) where: Base-Base interactions energy: -1522.447 where: short stacking energy: -632.953 Base-Backbone interact. energy: -0.755 local terms energy: -676.936535 where: bonds (distance) C4'-P energy: -117.489 bonds (distance) P-C4' energy: -124.492 flat angles C4'-P-C4' energy: -153.590 flat angles P-C4'-P energy: -94.185 tors. eta vs tors. theta energy: -187.181 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: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2127.387917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.387917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.387917 (E_RNA) where: Base-Base interactions energy: -1480.739 where: short stacking energy: -615.629 Base-Backbone interact. energy: -1.469 local terms energy: -645.180308 where: bonds (distance) C4'-P energy: -107.756 bonds (distance) P-C4' energy: -136.536 flat angles C4'-P-C4' energy: -139.059 flat angles P-C4'-P energy: -93.757 tors. eta vs tors. theta energy: -168.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1960.976014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.976014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.976014 (E_RNA) where: Base-Base interactions energy: -1375.578 where: short stacking energy: -574.262 Base-Backbone interact. energy: 2.037 local terms energy: -587.435012 where: bonds (distance) C4'-P energy: -97.005 bonds (distance) P-C4' energy: -116.252 flat angles C4'-P-C4' energy: -124.855 flat angles P-C4'-P energy: -90.433 tors. eta vs tors. theta energy: -158.891 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: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1917.253164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.253164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.253164 (E_RNA) where: Base-Base interactions energy: -1307.017 where: short stacking energy: -554.562 Base-Backbone interact. energy: 1.091 local terms energy: -611.327025 where: bonds (distance) C4'-P energy: -115.528 bonds (distance) P-C4' energy: -111.864 flat angles C4'-P-C4' energy: -128.921 flat angles P-C4'-P energy: -90.677 tors. eta vs tors. theta energy: -164.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1752.644129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.644129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.644129 (E_RNA) where: Base-Base interactions energy: -1179.716 where: short stacking energy: -483.802 Base-Backbone interact. energy: -3.474 local terms energy: -569.453725 where: bonds (distance) C4'-P energy: -96.986 bonds (distance) P-C4' energy: -118.370 flat angles C4'-P-C4' energy: -120.882 flat angles P-C4'-P energy: -87.019 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: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1415.733626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.733626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.733626 (E_RNA) where: Base-Base interactions energy: -938.956 where: short stacking energy: -391.358 Base-Backbone interact. energy: 0.236 local terms energy: -477.013355 where: bonds (distance) C4'-P energy: -113.687 bonds (distance) P-C4' energy: -102.643 flat angles C4'-P-C4' energy: -119.972 flat angles P-C4'-P energy: -59.621 tors. eta vs tors. theta energy: -81.090 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: 9, replica: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1155.667314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.667314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.667314 (E_RNA) where: Base-Base interactions energy: -722.140 where: short stacking energy: -327.940 Base-Backbone interact. energy: 0.555 local terms energy: -434.081979 where: bonds (distance) C4'-P energy: -106.349 bonds (distance) P-C4' energy: -96.890 flat angles C4'-P-C4' energy: -119.252 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -46.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -971.886739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.886739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.886739 (E_RNA) where: Base-Base interactions energy: -606.439 where: short stacking energy: -297.844 Base-Backbone interact. energy: -0.881 local terms energy: -364.566569 where: bonds (distance) C4'-P energy: -90.419 bonds (distance) P-C4' energy: -98.806 flat angles C4'-P-C4' energy: -82.020 flat angles P-C4'-P energy: -61.343 tors. eta vs tors. theta energy: -31.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2357.924464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.924464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.924464 (E_RNA) where: Base-Base interactions energy: -1642.334 where: short stacking energy: -672.014 Base-Backbone interact. energy: -3.267 local terms energy: -712.322713 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -138.710 flat angles C4'-P-C4' energy: -149.616 flat angles P-C4'-P energy: -96.862 tors. eta vs tors. theta energy: -192.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2213.146504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.146504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.146504 (E_RNA) where: Base-Base interactions energy: -1547.843 where: short stacking energy: -648.833 Base-Backbone interact. energy: -3.209 local terms energy: -662.094873 where: bonds (distance) C4'-P energy: -128.421 bonds (distance) P-C4' energy: -134.089 flat angles C4'-P-C4' energy: -149.715 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -164.347 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: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2154.527088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.527088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.527088 (E_RNA) where: Base-Base interactions energy: -1508.067 where: short stacking energy: -633.616 Base-Backbone interact. energy: -3.045 local terms energy: -643.415256 where: bonds (distance) C4'-P energy: -113.258 bonds (distance) P-C4' energy: -130.057 flat angles C4'-P-C4' energy: -134.959 flat angles P-C4'-P energy: -84.559 tors. eta vs tors. theta energy: -180.581 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: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2161.153227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.153227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.153227 (E_RNA) where: Base-Base interactions energy: -1500.726 where: short stacking energy: -632.127 Base-Backbone interact. energy: -0.272 local terms energy: -660.154790 where: bonds (distance) C4'-P energy: -122.530 bonds (distance) P-C4' energy: -135.891 flat angles C4'-P-C4' energy: -133.963 flat angles P-C4'-P energy: -87.692 tors. eta vs tors. theta energy: -180.079 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: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1978.630185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.630185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.630185 (E_RNA) where: Base-Base interactions energy: -1362.449 where: short stacking energy: -568.268 Base-Backbone interact. energy: -1.183 local terms energy: -614.997844 where: bonds (distance) C4'-P energy: -130.131 bonds (distance) P-C4' energy: -125.092 flat angles C4'-P-C4' energy: -131.209 flat angles P-C4'-P energy: -91.965 tors. eta vs tors. theta energy: -136.601 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: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1842.577589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.577589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.577589 (E_RNA) where: Base-Base interactions energy: -1283.467 where: short stacking energy: -533.198 Base-Backbone interact. energy: 6.582 local terms energy: -565.693157 where: bonds (distance) C4'-P energy: -100.348 bonds (distance) P-C4' energy: -122.514 flat angles C4'-P-C4' energy: -134.336 flat angles P-C4'-P energy: -67.311 tors. eta vs tors. theta energy: -141.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1719.978982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.978982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.978982 (E_RNA) where: Base-Base interactions energy: -1169.296 where: short stacking energy: -505.458 Base-Backbone interact. energy: -2.883 local terms energy: -547.800658 where: bonds (distance) C4'-P energy: -121.688 bonds (distance) P-C4' energy: -114.144 flat angles C4'-P-C4' energy: -116.821 flat angles P-C4'-P energy: -75.503 tors. eta vs tors. theta energy: -119.645 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: 10 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1486.070783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.070783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.070783 (E_RNA) where: Base-Base interactions energy: -1002.824 where: short stacking energy: -435.952 Base-Backbone interact. energy: -2.672 local terms energy: -480.574723 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -98.227 flat angles C4'-P-C4' energy: -132.662 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -85.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1235.832027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.832027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.832027 (E_RNA) where: Base-Base interactions energy: -820.772 where: short stacking energy: -381.970 Base-Backbone interact. energy: 1.050 local terms energy: -416.110924 where: bonds (distance) C4'-P energy: -99.908 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -111.801 flat angles P-C4'-P energy: -44.548 tors. eta vs tors. theta energy: -60.483 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: 7 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1062.401934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.401934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.401934 (E_RNA) where: Base-Base interactions energy: -671.616 where: short stacking energy: -301.269 Base-Backbone interact. energy: 8.135 local terms energy: -398.921486 where: bonds (distance) C4'-P energy: -99.753 bonds (distance) P-C4' energy: -103.462 flat angles C4'-P-C4' energy: -93.415 flat angles P-C4'-P energy: -65.660 tors. eta vs tors. theta energy: -36.631 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: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2311.087201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.087201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.087201 (E_RNA) where: Base-Base interactions energy: -1631.592 where: short stacking energy: -680.803 Base-Backbone interact. energy: -3.189 local terms energy: -676.305870 where: bonds (distance) C4'-P energy: -114.431 bonds (distance) P-C4' energy: -132.738 flat angles C4'-P-C4' energy: -159.724 flat angles P-C4'-P energy: -89.432 tors. eta vs tors. theta energy: -179.981 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: 6 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2233.651769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.651769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.651769 (E_RNA) where: Base-Base interactions energy: -1580.859 where: short stacking energy: -630.463 Base-Backbone interact. energy: -3.315 local terms energy: -649.478347 where: bonds (distance) C4'-P energy: -119.014 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -136.966 flat angles P-C4'-P energy: -102.482 tors. eta vs tors. theta energy: -151.907 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: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2135.700423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.700423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.700423 (E_RNA) where: Base-Base interactions energy: -1506.075 where: short stacking energy: -633.649 Base-Backbone interact. energy: -3.937 local terms energy: -625.688287 where: bonds (distance) C4'-P energy: -116.027 bonds (distance) P-C4' energy: -112.213 flat angles C4'-P-C4' energy: -138.733 flat angles P-C4'-P energy: -91.745 tors. eta vs tors. theta energy: -166.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2141.123936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.123936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.123936 (E_RNA) where: Base-Base interactions energy: -1501.013 where: short stacking energy: -619.793 Base-Backbone interact. energy: 0.859 local terms energy: -640.969543 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -118.881 flat angles C4'-P-C4' energy: -137.644 flat angles P-C4'-P energy: -90.833 tors. eta vs tors. theta energy: -168.976 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: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1989.274990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.274990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.274990 (E_RNA) where: Base-Base interactions energy: -1406.293 where: short stacking energy: -595.088 Base-Backbone interact. energy: -0.420 local terms energy: -582.561913 where: bonds (distance) C4'-P energy: -108.206 bonds (distance) P-C4' energy: -111.970 flat angles C4'-P-C4' energy: -133.931 flat angles P-C4'-P energy: -76.162 tors. eta vs tors. theta energy: -152.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1854.137934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.137934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.137934 (E_RNA) where: Base-Base interactions energy: -1280.650 where: short stacking energy: -536.945 Base-Backbone interact. energy: -3.452 local terms energy: -570.036574 where: bonds (distance) C4'-P energy: -109.712 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -129.411 flat angles P-C4'-P energy: -91.021 tors. eta vs tors. theta energy: -136.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1754.837437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.837437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.837437 (E_RNA) where: Base-Base interactions energy: -1219.218 where: short stacking energy: -504.815 Base-Backbone interact. energy: -2.832 local terms energy: -532.787262 where: bonds (distance) C4'-P energy: -110.387 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -122.693 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -142.338 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: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1522.218808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.218808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.218808 (E_RNA) where: Base-Base interactions energy: -1018.232 where: short stacking energy: -447.701 Base-Backbone interact. energy: -4.235 local terms energy: -499.752253 where: bonds (distance) C4'-P energy: -98.870 bonds (distance) P-C4' energy: -113.898 flat angles C4'-P-C4' energy: -116.835 flat angles P-C4'-P energy: -78.386 tors. eta vs tors. theta energy: -91.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1177.780734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.780734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.780734 (E_RNA) where: Base-Base interactions energy: -750.446 where: short stacking energy: -355.231 Base-Backbone interact. energy: 9.955 local terms energy: -437.289595 where: bonds (distance) C4'-P energy: -109.222 bonds (distance) P-C4' energy: -91.779 flat angles C4'-P-C4' energy: -108.862 flat angles P-C4'-P energy: -67.415 tors. eta vs tors. theta energy: -60.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1055.508802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.508802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.508802 (E_RNA) where: Base-Base interactions energy: -674.680 where: short stacking energy: -342.564 Base-Backbone interact. energy: 2.110 local terms energy: -382.939513 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -100.115 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -67.796 tors. eta vs tors. theta energy: -29.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2311.905130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.905130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.905130 (E_RNA) where: Base-Base interactions energy: -1622.817 where: short stacking energy: -694.011 Base-Backbone interact. energy: -2.036 local terms energy: -687.051609 where: bonds (distance) C4'-P energy: -127.049 bonds (distance) P-C4' energy: -129.954 flat angles C4'-P-C4' energy: -151.696 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -183.473 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: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2226.263304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.263304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.263304 (E_RNA) where: Base-Base interactions energy: -1571.945 where: short stacking energy: -649.604 Base-Backbone interact. energy: -2.960 local terms energy: -651.358146 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -132.026 flat angles C4'-P-C4' energy: -148.108 flat angles P-C4'-P energy: -95.551 tors. eta vs tors. theta energy: -164.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2168.479130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.479130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.479130 (E_RNA) where: Base-Base interactions energy: -1505.026 where: short stacking energy: -633.097 Base-Backbone interact. energy: -0.849 local terms energy: -662.603337 where: bonds (distance) C4'-P energy: -119.935 bonds (distance) P-C4' energy: -125.026 flat angles C4'-P-C4' energy: -141.001 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -178.596 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: 172 Temperature: 1.050000 Total energy: -2086.179995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.179995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.179995 (E_RNA) where: Base-Base interactions energy: -1439.997 where: short stacking energy: -624.978 Base-Backbone interact. energy: -4.599 local terms energy: -641.583173 where: bonds (distance) C4'-P energy: -111.365 bonds (distance) P-C4' energy: -126.101 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -101.801 tors. eta vs tors. theta energy: -169.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1949.406390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.406390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.406390 (E_RNA) where: Base-Base interactions energy: -1340.462 where: short stacking energy: -555.259 Base-Backbone interact. energy: -2.203 local terms energy: -606.741631 where: bonds (distance) C4'-P energy: -114.851 bonds (distance) P-C4' energy: -126.120 flat angles C4'-P-C4' energy: -139.217 flat angles P-C4'-P energy: -85.007 tors. eta vs tors. theta energy: -141.546 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: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1840.501363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.501363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.501363 (E_RNA) where: Base-Base interactions energy: -1233.446 where: short stacking energy: -532.748 Base-Backbone interact. energy: -4.912 local terms energy: -602.143584 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -133.074 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -142.630 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: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1781.224575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.224575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.224575 (E_RNA) where: Base-Base interactions energy: -1214.600 where: short stacking energy: -540.054 Base-Backbone interact. energy: -0.449 local terms energy: -566.176225 where: bonds (distance) C4'-P energy: -97.951 bonds (distance) P-C4' energy: -109.444 flat angles C4'-P-C4' energy: -131.100 flat angles P-C4'-P energy: -79.886 tors. eta vs tors. theta energy: -147.796 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: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1536.864811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.864811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.864811 (E_RNA) where: Base-Base interactions energy: -1048.772 where: short stacking energy: -462.842 Base-Backbone interact. energy: 1.090 local terms energy: -489.183067 where: bonds (distance) C4'-P energy: -108.112 bonds (distance) P-C4' energy: -113.760 flat angles C4'-P-C4' energy: -113.535 flat angles P-C4'-P energy: -53.901 tors. eta vs tors. theta energy: -99.874 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: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1184.383892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.383892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.383892 (E_RNA) where: Base-Base interactions energy: -755.690 where: short stacking energy: -343.883 Base-Backbone interact. energy: 2.232 local terms energy: -430.925772 where: bonds (distance) C4'-P energy: -104.995 bonds (distance) P-C4' energy: -111.463 flat angles C4'-P-C4' energy: -101.464 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: -49.201 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: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -831.522665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.522665 (E_RNA) where: Base-Base interactions energy: -440.007 where: short stacking energy: -229.846 Base-Backbone interact. energy: -0.889 local terms energy: -390.626672 where: bonds (distance) C4'-P energy: -104.695 bonds (distance) P-C4' energy: -98.183 flat angles C4'-P-C4' energy: -102.222 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -20.798 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: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -2335.705284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.705284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.705284 (E_RNA) where: Base-Base interactions energy: -1622.745 where: short stacking energy: -696.541 Base-Backbone interact. energy: -2.964 local terms energy: -709.996293 where: bonds (distance) C4'-P energy: -124.371 bonds (distance) P-C4' energy: -121.345 flat angles C4'-P-C4' energy: -163.599 flat angles P-C4'-P energy: -101.946 tors. eta vs tors. theta energy: -198.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2241.184641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.184641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.184641 (E_RNA) where: Base-Base interactions energy: -1571.886 where: short stacking energy: -659.007 Base-Backbone interact. energy: 0.280 local terms energy: -669.578480 where: bonds (distance) C4'-P energy: -124.361 bonds (distance) P-C4' energy: -140.761 flat angles C4'-P-C4' energy: -139.724 flat angles P-C4'-P energy: -94.626 tors. eta vs tors. theta energy: -170.107 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: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2189.845122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.845122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.845122 (E_RNA) where: Base-Base interactions energy: -1538.054 where: short stacking energy: -657.747 Base-Backbone interact. energy: 0.496 local terms energy: -652.288028 where: bonds (distance) C4'-P energy: -115.696 bonds (distance) P-C4' energy: -131.261 flat angles C4'-P-C4' energy: -140.900 flat angles P-C4'-P energy: -94.443 tors. eta vs tors. theta energy: -169.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2114.867662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.867662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.867662 (E_RNA) where: Base-Base interactions energy: -1478.229 where: short stacking energy: -613.861 Base-Backbone interact. energy: 1.012 local terms energy: -637.650886 where: bonds (distance) C4'-P energy: -125.943 bonds (distance) P-C4' energy: -115.948 flat angles C4'-P-C4' energy: -152.017 flat angles P-C4'-P energy: -71.347 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: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1985.722722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.722722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.722722 (E_RNA) where: Base-Base interactions energy: -1381.377 where: short stacking energy: -603.423 Base-Backbone interact. energy: -1.203 local terms energy: -603.142720 where: bonds (distance) C4'-P energy: -107.311 bonds (distance) P-C4' energy: -116.541 flat angles C4'-P-C4' energy: -122.394 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -170.437 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: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1771.330398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.330398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.330398 (E_RNA) where: Base-Base interactions energy: -1212.084 where: short stacking energy: -533.931 Base-Backbone interact. energy: -0.583 local terms energy: -558.663441 where: bonds (distance) C4'-P energy: -92.674 bonds (distance) P-C4' energy: -125.919 flat angles C4'-P-C4' energy: -137.162 flat angles P-C4'-P energy: -58.800 tors. eta vs tors. theta energy: -144.108 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: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1675.168858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.168858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.168858 (E_RNA) where: Base-Base interactions energy: -1124.268 where: short stacking energy: -477.620 Base-Backbone interact. energy: 0.120 local terms energy: -551.021214 where: bonds (distance) C4'-P energy: -120.791 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -112.469 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: -122.334 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: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1486.848943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.848943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.848943 (E_RNA) where: Base-Base interactions energy: -1001.151 where: short stacking energy: -435.247 Base-Backbone interact. energy: 8.077 local terms energy: -493.775481 where: bonds (distance) C4'-P energy: -111.783 bonds (distance) P-C4' energy: -96.321 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -101.051 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: 173 Temperature: 1.300000 Total energy: -1177.108868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.108868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.108868 (E_RNA) where: Base-Base interactions energy: -722.959 where: short stacking energy: -317.609 Base-Backbone interact. energy: 0.920 local terms energy: -455.069850 where: bonds (distance) C4'-P energy: -106.842 bonds (distance) P-C4' energy: -117.783 flat angles C4'-P-C4' energy: -118.524 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: -55.599 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: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -872.523706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.523706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.523706 (E_RNA) where: Base-Base interactions energy: -473.097 where: short stacking energy: -220.295 Base-Backbone interact. energy: -3.303 local terms energy: -396.123115 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -121.663 flat angles C4'-P-C4' energy: -94.671 flat angles P-C4'-P energy: -63.452 tors. eta vs tors. theta energy: -5.274 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: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2330.496605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.496605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.496605 (E_RNA) where: Base-Base interactions energy: -1645.690 where: short stacking energy: -698.544 Base-Backbone interact. energy: -0.847 local terms energy: -683.959154 where: bonds (distance) C4'-P energy: -119.864 bonds (distance) P-C4' energy: -135.295 flat angles C4'-P-C4' energy: -147.492 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -185.381 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: 2, replica: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2212.603396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.603396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.603396 (E_RNA) where: Base-Base interactions energy: -1552.585 where: short stacking energy: -663.866 Base-Backbone interact. energy: -2.983 local terms energy: -657.035677 where: bonds (distance) C4'-P energy: -129.169 bonds (distance) P-C4' energy: -121.382 flat angles C4'-P-C4' energy: -149.457 flat angles P-C4'-P energy: -89.408 tors. eta vs tors. theta energy: -167.620 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: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2188.685993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.685993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.685993 (E_RNA) where: Base-Base interactions energy: -1533.421 where: short stacking energy: -630.799 Base-Backbone interact. energy: -0.512 local terms energy: -654.752603 where: bonds (distance) C4'-P energy: -120.961 bonds (distance) P-C4' energy: -124.280 flat angles C4'-P-C4' energy: -141.315 flat angles P-C4'-P energy: -97.171 tors. eta vs tors. theta energy: -171.026 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2100.931189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.931189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.931189 (E_RNA) where: Base-Base interactions energy: -1483.016 where: short stacking energy: -610.595 Base-Backbone interact. energy: -4.435 local terms energy: -613.480339 where: bonds (distance) C4'-P energy: -126.420 bonds (distance) P-C4' energy: -130.141 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -76.747 tors. eta vs tors. theta energy: -149.361 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: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1986.084780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.084780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.084780 (E_RNA) where: Base-Base interactions energy: -1393.900 where: short stacking energy: -595.552 Base-Backbone interact. energy: 0.202 local terms energy: -592.386661 where: bonds (distance) C4'-P energy: -111.210 bonds (distance) P-C4' energy: -106.274 flat angles C4'-P-C4' energy: -134.695 flat angles P-C4'-P energy: -82.703 tors. eta vs tors. theta energy: -157.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1826.122620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.122620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.122620 (E_RNA) where: Base-Base interactions energy: -1258.468 where: short stacking energy: -565.796 Base-Backbone interact. energy: -1.232 local terms energy: -566.422498 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -125.514 flat angles C4'-P-C4' energy: -118.584 flat angles P-C4'-P energy: -85.030 tors. eta vs tors. theta energy: -135.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1663.131689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.131689 (E_RNA) where: Base-Base interactions energy: -1137.944 where: short stacking energy: -492.802 Base-Backbone interact. energy: -0.668 local terms energy: -524.519966 where: bonds (distance) C4'-P energy: -113.431 bonds (distance) P-C4' energy: -112.511 flat angles C4'-P-C4' energy: -120.340 flat angles P-C4'-P energy: -68.010 tors. eta vs tors. theta energy: -110.228 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: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1437.570068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.570068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.570068 (E_RNA) where: Base-Base interactions energy: -951.240 where: short stacking energy: -400.857 Base-Backbone interact. energy: -2.703 local terms energy: -483.627885 where: bonds (distance) C4'-P energy: -113.461 bonds (distance) P-C4' energy: -114.560 flat angles C4'-P-C4' energy: -123.044 flat angles P-C4'-P energy: -59.360 tors. eta vs tors. theta energy: -73.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1166.560040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.560040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.560040 (E_RNA) where: Base-Base interactions energy: -738.065 where: short stacking energy: -313.478 Base-Backbone interact. energy: -2.818 local terms energy: -425.677328 where: bonds (distance) C4'-P energy: -100.671 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -93.641 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: -62.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -848.515418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.515418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.515418 (E_RNA) where: Base-Base interactions energy: -497.099 where: short stacking energy: -249.948 Base-Backbone interact. energy: 5.127 local terms energy: -356.542999 where: bonds (distance) C4'-P energy: -93.003 bonds (distance) P-C4' energy: -102.443 flat angles C4'-P-C4' energy: -88.413 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -8.632 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: 1, replica: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2313.395589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.395589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.395589 (E_RNA) where: Base-Base interactions energy: -1645.838 where: short stacking energy: -685.711 Base-Backbone interact. energy: -2.252 local terms energy: -665.305086 where: bonds (distance) C4'-P energy: -119.027 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -145.250 flat angles P-C4'-P energy: -86.332 tors. eta vs tors. theta energy: -186.289 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: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2228.322135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.322135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.322135 (E_RNA) where: Base-Base interactions energy: -1560.569 where: short stacking energy: -659.463 Base-Backbone interact. energy: -0.438 local terms energy: -667.315646 where: bonds (distance) C4'-P energy: -127.543 bonds (distance) P-C4' energy: -123.933 flat angles C4'-P-C4' energy: -145.990 flat angles P-C4'-P energy: -92.303 tors. eta vs tors. theta energy: -177.547 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: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2190.617736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.617736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.617736 (E_RNA) where: Base-Base interactions energy: -1526.548 where: short stacking energy: -664.989 Base-Backbone interact. energy: 1.632 local terms energy: -665.701632 where: bonds (distance) C4'-P energy: -118.414 bonds (distance) P-C4' energy: -137.407 flat angles C4'-P-C4' energy: -141.440 flat angles P-C4'-P energy: -96.425 tors. eta vs tors. theta energy: -172.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2057.100808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.100808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.100808 (E_RNA) where: Base-Base interactions energy: -1421.763 where: short stacking energy: -624.678 Base-Backbone interact. energy: -3.363 local terms energy: -631.974074 where: bonds (distance) C4'-P energy: -113.728 bonds (distance) P-C4' energy: -135.221 flat angles C4'-P-C4' energy: -133.007 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -160.408 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: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2008.494764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.494764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.494764 (E_RNA) where: Base-Base interactions energy: -1396.117 where: short stacking energy: -596.202 Base-Backbone interact. energy: -1.557 local terms energy: -610.820757 where: bonds (distance) C4'-P energy: -121.259 bonds (distance) P-C4' energy: -111.766 flat angles C4'-P-C4' energy: -136.198 flat angles P-C4'-P energy: -83.186 tors. eta vs tors. theta energy: -158.412 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: 175 Temperature: 1.150000 Total energy: -1796.071087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.071087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.071087 (E_RNA) where: Base-Base interactions energy: -1226.345 where: short stacking energy: -522.348 Base-Backbone interact. energy: -1.752 local terms energy: -567.974352 where: bonds (distance) C4'-P energy: -89.723 bonds (distance) P-C4' energy: -127.992 flat angles C4'-P-C4' energy: -116.592 flat angles P-C4'-P energy: -92.144 tors. eta vs tors. theta energy: -141.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1681.302746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.302746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.302746 (E_RNA) where: Base-Base interactions energy: -1118.399 where: short stacking energy: -503.809 Base-Backbone interact. energy: -1.508 local terms energy: -561.395765 where: bonds (distance) C4'-P energy: -116.211 bonds (distance) P-C4' energy: -116.257 flat angles C4'-P-C4' energy: -133.453 flat angles P-C4'-P energy: -79.222 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: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1466.925514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.925514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.925514 (E_RNA) where: Base-Base interactions energy: -979.516 where: short stacking energy: -430.264 Base-Backbone interact. energy: -1.329 local terms energy: -486.080681 where: bonds (distance) C4'-P energy: -85.727 bonds (distance) P-C4' energy: -118.895 flat angles C4'-P-C4' energy: -125.579 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -92.002 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: 2 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1180.566597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.566597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.566597 (E_RNA) where: Base-Base interactions energy: -745.419 where: short stacking energy: -332.657 Base-Backbone interact. energy: 0.899 local terms energy: -436.046625 where: bonds (distance) C4'-P energy: -100.575 bonds (distance) P-C4' energy: -115.484 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -69.253 tors. eta vs tors. theta energy: -47.448 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: 10, replica: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -829.074357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.074357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.074357 (E_RNA) where: Base-Base interactions energy: -478.199 where: short stacking energy: -262.279 Base-Backbone interact. energy: -1.839 local terms energy: -349.036425 where: bonds (distance) C4'-P energy: -102.150 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -89.846 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -4.649 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: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2317.579954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.579954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.579954 (E_RNA) where: Base-Base interactions energy: -1627.438 where: short stacking energy: -679.078 Base-Backbone interact. energy: -6.298 local terms energy: -683.843935 where: bonds (distance) C4'-P energy: -132.230 bonds (distance) P-C4' energy: -140.256 flat angles C4'-P-C4' energy: -143.365 flat angles P-C4'-P energy: -80.553 tors. eta vs tors. theta energy: -187.440 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: 6 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2265.546428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.546428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.546428 (E_RNA) where: Base-Base interactions energy: -1574.667 where: short stacking energy: -665.382 Base-Backbone interact. energy: -2.521 local terms energy: -688.358604 where: bonds (distance) C4'-P energy: -136.109 bonds (distance) P-C4' energy: -135.103 flat angles C4'-P-C4' energy: -142.364 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -179.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2204.716224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.716224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.716224 (E_RNA) where: Base-Base interactions energy: -1576.130 where: short stacking energy: -647.498 Base-Backbone interact. energy: -0.818 local terms energy: -627.768337 where: bonds (distance) C4'-P energy: -113.426 bonds (distance) P-C4' energy: -135.716 flat angles C4'-P-C4' energy: -131.400 flat angles P-C4'-P energy: -85.429 tors. eta vs tors. theta energy: -161.796 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: 3 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2033.344919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.344919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.344919 (E_RNA) where: Base-Base interactions energy: -1412.235 where: short stacking energy: -614.207 Base-Backbone interact. energy: -2.328 local terms energy: -618.782018 where: bonds (distance) C4'-P energy: -112.824 bonds (distance) P-C4' energy: -125.435 flat angles C4'-P-C4' energy: -131.522 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -172.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2026.473624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.473624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.473624 (E_RNA) where: Base-Base interactions energy: -1421.636 where: short stacking energy: -614.020 Base-Backbone interact. energy: -2.669 local terms energy: -602.168435 where: bonds (distance) C4'-P energy: -102.042 bonds (distance) P-C4' energy: -135.097 flat angles C4'-P-C4' energy: -126.484 flat angles P-C4'-P energy: -84.317 tors. eta vs tors. theta energy: -154.229 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: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1805.655166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.655166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.655166 (E_RNA) where: Base-Base interactions energy: -1217.845 where: short stacking energy: -518.780 Base-Backbone interact. energy: -0.421 local terms energy: -587.389435 where: bonds (distance) C4'-P energy: -117.539 bonds (distance) P-C4' energy: -129.114 flat angles C4'-P-C4' energy: -125.255 flat angles P-C4'-P energy: -82.527 tors. eta vs tors. theta energy: -132.954 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: 8 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1668.568656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.568656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.568656 (E_RNA) where: Base-Base interactions energy: -1146.861 where: short stacking energy: -498.553 Base-Backbone interact. energy: -0.506 local terms energy: -521.202091 where: bonds (distance) C4'-P energy: -85.437 bonds (distance) P-C4' energy: -100.389 flat angles C4'-P-C4' energy: -110.345 flat angles P-C4'-P energy: -95.329 tors. eta vs tors. theta energy: -129.701 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: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1454.359170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.359170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.359170 (E_RNA) where: Base-Base interactions energy: -967.228 where: short stacking energy: -400.465 Base-Backbone interact. energy: 1.242 local terms energy: -488.373670 where: bonds (distance) C4'-P energy: -95.875 bonds (distance) P-C4' energy: -116.043 flat angles C4'-P-C4' energy: -110.104 flat angles P-C4'-P energy: -75.637 tors. eta vs tors. theta energy: -90.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1137.147539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.147539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.147539 (E_RNA) where: Base-Base interactions energy: -717.116 where: short stacking energy: -332.513 Base-Backbone interact. energy: 1.035 local terms energy: -421.066365 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -104.438 flat angles P-C4'-P energy: -73.289 tors. eta vs tors. theta energy: -46.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -838.323948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.323948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.323948 (E_RNA) where: Base-Base interactions energy: -483.144 where: short stacking energy: -256.168 Base-Backbone interact. energy: 1.502 local terms energy: -356.681296 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -79.792 flat angles P-C4'-P energy: -54.980 tors. eta vs tors. theta energy: -16.068 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: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2329.350085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.350085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.350085 (E_RNA) where: Base-Base interactions energy: -1637.107 where: short stacking energy: -687.866 Base-Backbone interact. energy: -2.395 local terms energy: -689.848084 where: bonds (distance) C4'-P energy: -123.063 bonds (distance) P-C4' energy: -130.723 flat angles C4'-P-C4' energy: -149.557 flat angles P-C4'-P energy: -92.739 tors. eta vs tors. theta energy: -193.766 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: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2264.039110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.039110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.039110 (E_RNA) where: Base-Base interactions energy: -1570.458 where: short stacking energy: -658.381 Base-Backbone interact. energy: 0.082 local terms energy: -693.663183 where: bonds (distance) C4'-P energy: -127.244 bonds (distance) P-C4' energy: -143.175 flat angles C4'-P-C4' energy: -148.620 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -161.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2221.630767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.630767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.630767 (E_RNA) where: Base-Base interactions energy: -1571.879 where: short stacking energy: -635.744 Base-Backbone interact. energy: 2.738 local terms energy: -652.490035 where: bonds (distance) C4'-P energy: -122.103 bonds (distance) P-C4' energy: -133.657 flat angles C4'-P-C4' energy: -127.395 flat angles P-C4'-P energy: -98.961 tors. eta vs tors. theta energy: -170.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2057.689179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.689179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.689179 (E_RNA) where: Base-Base interactions energy: -1433.829 where: short stacking energy: -591.782 Base-Backbone interact. energy: -6.832 local terms energy: -617.028255 where: bonds (distance) C4'-P energy: -125.818 bonds (distance) P-C4' energy: -110.896 flat angles C4'-P-C4' energy: -131.875 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: -149.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2002.047236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.047236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.047236 (E_RNA) where: Base-Base interactions energy: -1397.028 where: short stacking energy: -574.234 Base-Backbone interact. energy: -1.782 local terms energy: -603.237403 where: bonds (distance) C4'-P energy: -123.159 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -129.660 flat angles P-C4'-P energy: -83.841 tors. eta vs tors. theta energy: -150.241 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: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1809.551243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.551243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.551243 (E_RNA) where: Base-Base interactions energy: -1235.809 where: short stacking energy: -535.443 Base-Backbone interact. energy: -1.360 local terms energy: -572.382099 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -136.044 flat angles P-C4'-P energy: -85.460 tors. eta vs tors. theta energy: -139.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1668.638700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.638700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.638700 (E_RNA) where: Base-Base interactions energy: -1129.301 where: short stacking energy: -494.270 Base-Backbone interact. energy: -1.357 local terms energy: -537.980816 where: bonds (distance) C4'-P energy: -108.567 bonds (distance) P-C4' energy: -100.437 flat angles C4'-P-C4' energy: -146.804 flat angles P-C4'-P energy: -66.891 tors. eta vs tors. theta energy: -115.281 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: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1539.846988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.846988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.846988 (E_RNA) where: Base-Base interactions energy: -1051.725 where: short stacking energy: -450.320 Base-Backbone interact. energy: 1.076 local terms energy: -489.197909 where: bonds (distance) C4'-P energy: -104.995 bonds (distance) P-C4' energy: -98.756 flat angles C4'-P-C4' energy: -114.807 flat angles P-C4'-P energy: -67.938 tors. eta vs tors. theta energy: -102.701 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: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1159.963754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.963754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.963754 (E_RNA) where: Base-Base interactions energy: -742.595 where: short stacking energy: -349.025 Base-Backbone interact. energy: 3.279 local terms energy: -420.648139 where: bonds (distance) C4'-P energy: -112.895 bonds (distance) P-C4' energy: -107.863 flat angles C4'-P-C4' energy: -93.398 flat angles P-C4'-P energy: -58.290 tors. eta vs tors. theta energy: -48.201 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: 10, replica: 7 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -889.409039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.409039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.409039 (E_RNA) where: Base-Base interactions energy: -496.483 where: short stacking energy: -244.077 Base-Backbone interact. energy: 1.871 local terms energy: -394.796943 where: bonds (distance) C4'-P energy: -103.767 bonds (distance) P-C4' energy: -125.128 flat angles C4'-P-C4' energy: -98.635 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: -13.909 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: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2311.336436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.336436 (E_RNA) where: Base-Base interactions energy: -1607.211 where: short stacking energy: -652.971 Base-Backbone interact. energy: -1.349 local terms energy: -702.776464 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -154.061 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -176.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2270.274009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.274009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.274009 (E_RNA) where: Base-Base interactions energy: -1591.406 where: short stacking energy: -663.830 Base-Backbone interact. energy: -1.288 local terms energy: -677.579700 where: bonds (distance) C4'-P energy: -116.681 bonds (distance) P-C4' energy: -128.326 flat angles C4'-P-C4' energy: -153.398 flat angles P-C4'-P energy: -111.366 tors. eta vs tors. theta energy: -167.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2221.019295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.019295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.019295 (E_RNA) where: Base-Base interactions energy: -1554.533 where: short stacking energy: -625.473 Base-Backbone interact. energy: -1.652 local terms energy: -664.834269 where: bonds (distance) C4'-P energy: -120.867 bonds (distance) P-C4' energy: -131.614 flat angles C4'-P-C4' energy: -145.720 flat angles P-C4'-P energy: -99.600 tors. eta vs tors. theta energy: -167.034 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: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2060.593988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.593988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.593988 (E_RNA) where: Base-Base interactions energy: -1435.261 where: short stacking energy: -599.442 Base-Backbone interact. energy: -3.007 local terms energy: -622.326741 where: bonds (distance) C4'-P energy: -120.386 bonds (distance) P-C4' energy: -121.180 flat angles C4'-P-C4' energy: -131.864 flat angles P-C4'-P energy: -80.435 tors. eta vs tors. theta energy: -168.462 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: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2016.286235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.286235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.286235 (E_RNA) where: Base-Base interactions energy: -1402.317 where: short stacking energy: -586.698 Base-Backbone interact. energy: -3.716 local terms energy: -610.253755 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -119.882 flat angles C4'-P-C4' energy: -134.736 flat angles P-C4'-P energy: -95.404 tors. eta vs tors. theta energy: -157.332 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1777.480371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.480371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.480371 (E_RNA) where: Base-Base interactions energy: -1210.358 where: short stacking energy: -498.124 Base-Backbone interact. energy: -1.981 local terms energy: -565.142191 where: bonds (distance) C4'-P energy: -111.175 bonds (distance) P-C4' energy: -109.824 flat angles C4'-P-C4' energy: -127.687 flat angles P-C4'-P energy: -77.395 tors. eta vs tors. theta energy: -139.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1706.839634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.839634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.839634 (E_RNA) where: Base-Base interactions energy: -1139.720 where: short stacking energy: -485.745 Base-Backbone interact. energy: -2.562 local terms energy: -564.558038 where: bonds (distance) C4'-P energy: -113.500 bonds (distance) P-C4' energy: -122.678 flat angles C4'-P-C4' energy: -129.336 flat angles P-C4'-P energy: -80.367 tors. eta vs tors. theta energy: -118.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1529.530757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.530757 (E_RNA) where: Base-Base interactions energy: -1025.585 where: short stacking energy: -434.684 Base-Backbone interact. energy: 5.710 local terms energy: -509.655148 where: bonds (distance) C4'-P energy: -114.746 bonds (distance) P-C4' energy: -119.399 flat angles C4'-P-C4' energy: -105.046 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -89.878 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: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1176.687924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.687924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.687924 (E_RNA) where: Base-Base interactions energy: -722.283 where: short stacking energy: -313.004 Base-Backbone interact. energy: -4.137 local terms energy: -450.267764 where: bonds (distance) C4'-P energy: -115.208 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -71.622 tors. eta vs tors. theta energy: -53.652 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: 7 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -937.557108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.557108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.557108 (E_RNA) where: Base-Base interactions energy: -574.648 where: short stacking energy: -250.753 Base-Backbone interact. energy: -1.345 local terms energy: -361.563806 where: bonds (distance) C4'-P energy: -117.994 bonds (distance) P-C4' energy: -91.671 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -47.041 tors. eta vs tors. theta energy: -8.001 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: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -2340.054057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.054057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.054057 (E_RNA) where: Base-Base interactions energy: -1635.265 where: short stacking energy: -678.344 Base-Backbone interact. energy: -1.494 local terms energy: -703.295021 where: bonds (distance) C4'-P energy: -133.550 bonds (distance) P-C4' energy: -140.294 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -102.593 tors. eta vs tors. theta energy: -185.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2301.289949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.289949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.289949 (E_RNA) where: Base-Base interactions energy: -1633.479 where: short stacking energy: -683.311 Base-Backbone interact. energy: 3.894 local terms energy: -671.705124 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -133.315 flat angles C4'-P-C4' energy: -149.383 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -180.574 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: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2242.624617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.624617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.624617 (E_RNA) where: Base-Base interactions energy: -1602.262 where: short stacking energy: -650.581 Base-Backbone interact. energy: 1.242 local terms energy: -641.604374 where: bonds (distance) C4'-P energy: -125.911 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -83.363 tors. eta vs tors. theta energy: -167.082 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: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2066.527829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.527829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.527829 (E_RNA) where: Base-Base interactions energy: -1440.239 where: short stacking energy: -621.678 Base-Backbone interact. energy: -4.376 local terms energy: -621.912787 where: bonds (distance) C4'-P energy: -115.382 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -117.067 flat angles P-C4'-P energy: -83.709 tors. eta vs tors. theta energy: -177.208 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: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2030.873287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.873287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.873287 (E_RNA) where: Base-Base interactions energy: -1436.572 where: short stacking energy: -567.723 Base-Backbone interact. energy: 4.618 local terms energy: -598.919451 where: bonds (distance) C4'-P energy: -105.178 bonds (distance) P-C4' energy: -107.676 flat angles C4'-P-C4' energy: -146.712 flat angles P-C4'-P energy: -89.487 tors. eta vs tors. theta energy: -149.867 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: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1796.507074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.507074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.507074 (E_RNA) where: Base-Base interactions energy: -1236.174 where: short stacking energy: -526.012 Base-Backbone interact. energy: -2.049 local terms energy: -558.284220 where: bonds (distance) C4'-P energy: -107.576 bonds (distance) P-C4' energy: -120.516 flat angles C4'-P-C4' energy: -126.284 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -142.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1697.919681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.919681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.919681 (E_RNA) where: Base-Base interactions energy: -1169.326 where: short stacking energy: -493.426 Base-Backbone interact. energy: -2.829 local terms energy: -525.764808 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -102.567 flat angles C4'-P-C4' energy: -125.855 flat angles P-C4'-P energy: -82.390 tors. eta vs tors. theta energy: -121.080 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: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1540.691793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.691793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.691793 (E_RNA) where: Base-Base interactions energy: -1026.153 where: short stacking energy: -440.632 Base-Backbone interact. energy: -2.770 local terms energy: -511.769368 where: bonds (distance) C4'-P energy: -105.595 bonds (distance) P-C4' energy: -131.810 flat angles C4'-P-C4' energy: -107.102 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -95.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1198.374790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.374790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.374790 (E_RNA) where: Base-Base interactions energy: -784.081 where: short stacking energy: -355.963 Base-Backbone interact. energy: -1.245 local terms energy: -413.048394 where: bonds (distance) C4'-P energy: -96.116 bonds (distance) P-C4' energy: -97.417 flat angles C4'-P-C4' energy: -104.761 flat angles P-C4'-P energy: -44.215 tors. eta vs tors. theta energy: -70.540 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: 7 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -900.101476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.101476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.101476 (E_RNA) where: Base-Base interactions energy: -517.930 where: short stacking energy: -273.184 Base-Backbone interact. energy: -2.395 local terms energy: -379.776019 where: bonds (distance) C4'-P energy: -96.783 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -78.718 flat angles P-C4'-P energy: -51.861 tors. eta vs tors. theta energy: -31.465 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: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2344.432058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.432058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.432058 (E_RNA) where: Base-Base interactions energy: -1677.842 where: short stacking energy: -676.069 Base-Backbone interact. energy: -3.174 local terms energy: -663.415427 where: bonds (distance) C4'-P energy: -135.110 bonds (distance) P-C4' energy: -106.133 flat angles C4'-P-C4' energy: -148.370 flat angles P-C4'-P energy: -85.118 tors. eta vs tors. theta energy: -188.684 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: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2286.008377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.008377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.008377 (E_RNA) where: Base-Base interactions energy: -1608.051 where: short stacking energy: -676.699 Base-Backbone interact. energy: -4.741 local terms energy: -673.216331 where: bonds (distance) C4'-P energy: -104.707 bonds (distance) P-C4' energy: -132.266 flat angles C4'-P-C4' energy: -147.387 flat angles P-C4'-P energy: -100.354 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: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2218.292326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.292326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.292326 (E_RNA) where: Base-Base interactions energy: -1597.407 where: short stacking energy: -631.284 Base-Backbone interact. energy: -0.560 local terms energy: -620.325031 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -119.884 flat angles C4'-P-C4' energy: -147.917 flat angles P-C4'-P energy: -94.112 tors. eta vs tors. theta energy: -162.907 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: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2074.206039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.206039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.206039 (E_RNA) where: Base-Base interactions energy: -1447.092 where: short stacking energy: -604.536 Base-Backbone interact. energy: -5.370 local terms energy: -621.743385 where: bonds (distance) C4'-P energy: -123.287 bonds (distance) P-C4' energy: -118.309 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -80.484 tors. eta vs tors. theta energy: -162.462 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: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2018.560512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.560512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.560512 (E_RNA) where: Base-Base interactions energy: -1445.520 where: short stacking energy: -586.456 Base-Backbone interact. energy: -2.225 local terms energy: -570.815861 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -96.443 flat angles C4'-P-C4' energy: -135.909 flat angles P-C4'-P energy: -82.129 tors. eta vs tors. theta energy: -148.136 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: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1720.960693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.960693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.960693 (E_RNA) where: Base-Base interactions energy: -1178.622 where: short stacking energy: -507.673 Base-Backbone interact. energy: 4.914 local terms energy: -547.252849 where: bonds (distance) C4'-P energy: -99.764 bonds (distance) P-C4' energy: -110.954 flat angles C4'-P-C4' energy: -123.575 flat angles P-C4'-P energy: -80.095 tors. eta vs tors. theta energy: -132.864 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: 7, replica: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1751.083504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.083504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.083504 (E_RNA) where: Base-Base interactions energy: -1188.821 where: short stacking energy: -527.526 Base-Backbone interact. energy: -2.054 local terms energy: -560.208411 where: bonds (distance) C4'-P energy: -102.207 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -119.565 flat angles P-C4'-P energy: -89.931 tors. eta vs tors. theta energy: -132.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1530.935773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.935773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.935773 (E_RNA) where: Base-Base interactions energy: -1049.768 where: short stacking energy: -447.035 Base-Backbone interact. energy: 0.622 local terms energy: -481.789947 where: bonds (distance) C4'-P energy: -99.925 bonds (distance) P-C4' energy: -111.536 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -72.892 tors. eta vs tors. theta energy: -92.852 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: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1321.476484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.476484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.476484 (E_RNA) where: Base-Base interactions energy: -873.456 where: short stacking energy: -373.610 Base-Backbone interact. energy: -0.494 local terms energy: -447.525984 where: bonds (distance) C4'-P energy: -95.023 bonds (distance) P-C4' energy: -120.891 flat angles C4'-P-C4' energy: -113.657 flat angles P-C4'-P energy: -49.775 tors. eta vs tors. theta energy: -68.180 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: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -925.065467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.065467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.065467 (E_RNA) where: Base-Base interactions energy: -540.916 where: short stacking energy: -251.353 Base-Backbone interact. energy: -0.856 local terms energy: -383.293764 where: bonds (distance) C4'-P energy: -94.652 bonds (distance) P-C4' energy: -115.227 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -19.477 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: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2315.964571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.964571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.964571 (E_RNA) where: Base-Base interactions energy: -1628.009 where: short stacking energy: -672.203 Base-Backbone interact. energy: -1.657 local terms energy: -686.298938 where: bonds (distance) C4'-P energy: -119.005 bonds (distance) P-C4' energy: -138.518 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -97.908 tors. eta vs tors. theta energy: -189.930 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: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2291.418739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.418739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.418739 (E_RNA) where: Base-Base interactions energy: -1608.293 where: short stacking energy: -669.350 Base-Backbone interact. energy: -2.443 local terms energy: -680.682509 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -139.853 flat angles C4'-P-C4' energy: -144.599 flat angles P-C4'-P energy: -90.906 tors. eta vs tors. theta energy: -179.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2294.022176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.022176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.022176 (E_RNA) where: Base-Base interactions energy: -1615.806 where: short stacking energy: -664.946 Base-Backbone interact. energy: -6.120 local terms energy: -672.097002 where: bonds (distance) C4'-P energy: -119.011 bonds (distance) P-C4' energy: -124.861 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -174.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2030.789001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.789001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.789001 (E_RNA) where: Base-Base interactions energy: -1438.233 where: short stacking energy: -561.926 Base-Backbone interact. energy: -0.935 local terms energy: -591.620986 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -120.042 flat angles C4'-P-C4' energy: -132.509 flat angles P-C4'-P energy: -95.602 tors. eta vs tors. theta energy: -145.756 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: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2036.866965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.866965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.866965 (E_RNA) where: Base-Base interactions energy: -1427.514 where: short stacking energy: -590.665 Base-Backbone interact. energy: -4.525 local terms energy: -604.827213 where: bonds (distance) C4'-P energy: -119.066 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -78.890 tors. eta vs tors. theta energy: -156.374 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: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1730.978155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.978155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.978155 (E_RNA) where: Base-Base interactions energy: -1198.846 where: short stacking energy: -511.408 Base-Backbone interact. energy: -2.779 local terms energy: -529.353239 where: bonds (distance) C4'-P energy: -101.796 bonds (distance) P-C4' energy: -117.279 flat angles C4'-P-C4' energy: -111.541 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -122.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1674.141208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.141208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.141208 (E_RNA) where: Base-Base interactions energy: -1119.492 where: short stacking energy: -473.201 Base-Backbone interact. energy: -3.591 local terms energy: -551.057917 where: bonds (distance) C4'-P energy: -109.910 bonds (distance) P-C4' energy: -122.723 flat angles C4'-P-C4' energy: -135.012 flat angles P-C4'-P energy: -75.247 tors. eta vs tors. theta energy: -108.165 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: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1495.111698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.111698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.111698 (E_RNA) where: Base-Base interactions energy: -975.174 where: short stacking energy: -421.843 Base-Backbone interact. energy: -5.167 local terms energy: -514.771239 where: bonds (distance) C4'-P energy: -113.710 bonds (distance) P-C4' energy: -106.561 flat angles C4'-P-C4' energy: -123.285 flat angles P-C4'-P energy: -73.212 tors. eta vs tors. theta energy: -98.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1292.983168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.983168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.983168 (E_RNA) where: Base-Base interactions energy: -796.288 where: short stacking energy: -375.199 Base-Backbone interact. energy: -2.611 local terms energy: -494.083548 where: bonds (distance) C4'-P energy: -116.149 bonds (distance) P-C4' energy: -116.331 flat angles C4'-P-C4' energy: -115.034 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -84.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -959.726575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.726575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.726575 (E_RNA) where: Base-Base interactions energy: -556.130 where: short stacking energy: -286.217 Base-Backbone interact. energy: -2.597 local terms energy: -400.999295 where: bonds (distance) C4'-P energy: -91.677 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -92.298 flat angles P-C4'-P energy: -68.092 tors. eta vs tors. theta energy: -30.451 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: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2313.175360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.175360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.175360 (E_RNA) where: Base-Base interactions energy: -1629.156 where: short stacking energy: -668.037 Base-Backbone interact. energy: -2.645 local terms energy: -681.374205 where: bonds (distance) C4'-P energy: -121.983 bonds (distance) P-C4' energy: -121.838 flat angles C4'-P-C4' energy: -145.771 flat angles P-C4'-P energy: -102.256 tors. eta vs tors. theta energy: -189.526 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: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2285.979591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.979591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.979591 (E_RNA) where: Base-Base interactions energy: -1619.505 where: short stacking energy: -655.312 Base-Backbone interact. energy: -3.773 local terms energy: -662.702182 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -118.761 flat angles C4'-P-C4' energy: -150.918 flat angles P-C4'-P energy: -106.146 tors. eta vs tors. theta energy: -172.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2240.255362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.255362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.255362 (E_RNA) where: Base-Base interactions energy: -1581.386 where: short stacking energy: -640.745 Base-Backbone interact. energy: -3.656 local terms energy: -655.212953 where: bonds (distance) C4'-P energy: -116.138 bonds (distance) P-C4' energy: -130.699 flat angles C4'-P-C4' energy: -142.711 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -166.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2037.064224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.064224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.064224 (E_RNA) where: Base-Base interactions energy: -1422.781 where: short stacking energy: -599.441 Base-Backbone interact. energy: -2.721 local terms energy: -611.562475 where: bonds (distance) C4'-P energy: -121.298 bonds (distance) P-C4' energy: -113.926 flat angles C4'-P-C4' energy: -138.831 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -158.711 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: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2022.172264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.172264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.172264 (E_RNA) where: Base-Base interactions energy: -1429.272 where: short stacking energy: -618.607 Base-Backbone interact. energy: -6.384 local terms energy: -586.516642 where: bonds (distance) C4'-P energy: -97.167 bonds (distance) P-C4' energy: -112.437 flat angles C4'-P-C4' energy: -132.613 flat angles P-C4'-P energy: -73.488 tors. eta vs tors. theta energy: -170.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1729.673569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.673569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.673569 (E_RNA) where: Base-Base interactions energy: -1171.619 where: short stacking energy: -522.422 Base-Backbone interact. energy: 2.804 local terms energy: -560.857944 where: bonds (distance) C4'-P energy: -126.080 bonds (distance) P-C4' energy: -122.655 flat angles C4'-P-C4' energy: -120.086 flat angles P-C4'-P energy: -71.113 tors. eta vs tors. theta energy: -120.924 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: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1707.221977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.221977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.221977 (E_RNA) where: Base-Base interactions energy: -1162.097 where: short stacking energy: -524.930 Base-Backbone interact. energy: 1.648 local terms energy: -546.773279 where: bonds (distance) C4'-P energy: -103.682 bonds (distance) P-C4' energy: -112.336 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -80.111 tors. eta vs tors. theta energy: -118.105 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: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1463.590636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.590636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.590636 (E_RNA) where: Base-Base interactions energy: -982.362 where: short stacking energy: -449.901 Base-Backbone interact. energy: 0.972 local terms energy: -482.200477 where: bonds (distance) C4'-P energy: -93.113 bonds (distance) P-C4' energy: -102.613 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -89.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1231.313574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.313574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.313574 (E_RNA) where: Base-Base interactions energy: -788.376 where: short stacking energy: -370.481 Base-Backbone interact. energy: 8.122 local terms energy: -451.060192 where: bonds (distance) C4'-P energy: -107.784 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -57.141 tors. eta vs tors. theta energy: -61.400 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -932.795890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.795890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.795890 (E_RNA) where: Base-Base interactions energy: -530.312 where: short stacking energy: -264.688 Base-Backbone interact. energy: -0.817 local terms energy: -401.666501 where: bonds (distance) C4'-P energy: -98.737 bonds (distance) P-C4' energy: -123.016 flat angles C4'-P-C4' energy: -109.365 flat angles P-C4'-P energy: -50.610 tors. eta vs tors. theta energy: -19.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2369.910619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.910619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.910619 (E_RNA) where: Base-Base interactions energy: -1665.485 where: short stacking energy: -685.436 Base-Backbone interact. energy: -1.569 local terms energy: -702.857345 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -123.557 flat angles C4'-P-C4' energy: -151.534 flat angles P-C4'-P energy: -100.106 tors. eta vs tors. theta energy: -192.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2286.702839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.702839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.702839 (E_RNA) where: Base-Base interactions energy: -1624.130 where: short stacking energy: -656.006 Base-Backbone interact. energy: 4.779 local terms energy: -667.351182 where: bonds (distance) C4'-P energy: -125.456 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -152.676 flat angles P-C4'-P energy: -90.187 tors. eta vs tors. theta energy: -168.842 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: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2251.814143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.814143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.814143 (E_RNA) where: Base-Base interactions energy: -1612.597 where: short stacking energy: -654.791 Base-Backbone interact. energy: -1.272 local terms energy: -637.945156 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -129.181 flat angles C4'-P-C4' energy: -145.321 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -175.679 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: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2067.757750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.757750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.757750 (E_RNA) where: Base-Base interactions energy: -1430.566 where: short stacking energy: -615.204 Base-Backbone interact. energy: 2.320 local terms energy: -639.511400 where: bonds (distance) C4'-P energy: -127.126 bonds (distance) P-C4' energy: -111.585 flat angles C4'-P-C4' energy: -135.054 flat angles P-C4'-P energy: -98.996 tors. eta vs tors. theta energy: -166.751 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: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2011.635013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.635013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.635013 (E_RNA) where: Base-Base interactions energy: -1384.212 where: short stacking energy: -580.274 Base-Backbone interact. energy: -3.425 local terms energy: -623.998312 where: bonds (distance) C4'-P energy: -131.890 bonds (distance) P-C4' energy: -129.928 flat angles C4'-P-C4' energy: -131.383 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -159.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1700.177302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.177302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.177302 (E_RNA) where: Base-Base interactions energy: -1132.863 where: short stacking energy: -514.141 Base-Backbone interact. energy: -1.446 local terms energy: -565.868312 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -123.646 flat angles P-C4'-P energy: -84.317 tors. eta vs tors. theta energy: -123.953 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: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1699.622205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.622205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.622205 (E_RNA) where: Base-Base interactions energy: -1175.264 where: short stacking energy: -525.520 Base-Backbone interact. energy: 1.190 local terms energy: -525.547884 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -116.265 flat angles C4'-P-C4' energy: -120.902 flat angles P-C4'-P energy: -71.067 tors. eta vs tors. theta energy: -128.908 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: 10 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1511.223441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.223441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.223441 (E_RNA) where: Base-Base interactions energy: -984.297 where: short stacking energy: -440.935 Base-Backbone interact. energy: -3.717 local terms energy: -523.208855 where: bonds (distance) C4'-P energy: -117.217 bonds (distance) P-C4' energy: -133.854 flat angles C4'-P-C4' energy: -110.638 flat angles P-C4'-P energy: -56.355 tors. eta vs tors. theta energy: -105.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1162.852747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.852747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.852747 (E_RNA) where: Base-Base interactions energy: -729.102 where: short stacking energy: -330.230 Base-Backbone interact. energy: -1.830 local terms energy: -431.921098 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -106.157 flat angles C4'-P-C4' energy: -112.134 flat angles P-C4'-P energy: -66.487 tors. eta vs tors. theta energy: -38.550 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: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -935.810243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.810243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.810243 (E_RNA) where: Base-Base interactions energy: -572.747 where: short stacking energy: -277.282 Base-Backbone interact. energy: -2.018 local terms energy: -361.045551 where: bonds (distance) C4'-P energy: -110.064 bonds (distance) P-C4' energy: -93.502 flat angles C4'-P-C4' energy: -88.979 flat angles P-C4'-P energy: -52.274 tors. eta vs tors. theta energy: -16.226 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: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2365.768435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.768435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.768435 (E_RNA) where: Base-Base interactions energy: -1674.588 where: short stacking energy: -656.397 Base-Backbone interact. energy: -1.550 local terms energy: -689.629939 where: bonds (distance) C4'-P energy: -126.937 bonds (distance) P-C4' energy: -141.056 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -98.228 tors. eta vs tors. theta energy: -179.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2299.322186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.322186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.322186 (E_RNA) where: Base-Base interactions energy: -1620.126 where: short stacking energy: -673.102 Base-Backbone interact. energy: 0.789 local terms energy: -679.985901 where: bonds (distance) C4'-P energy: -135.783 bonds (distance) P-C4' energy: -125.888 flat angles C4'-P-C4' energy: -136.555 flat angles P-C4'-P energy: -92.941 tors. eta vs tors. theta energy: -188.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2274.531253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.531253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.531253 (E_RNA) where: Base-Base interactions energy: -1595.099 where: short stacking energy: -681.330 Base-Backbone interact. energy: 2.060 local terms energy: -681.492008 where: bonds (distance) C4'-P energy: -124.279 bonds (distance) P-C4' energy: -127.118 flat angles C4'-P-C4' energy: -136.244 flat angles P-C4'-P energy: -107.031 tors. eta vs tors. theta energy: -186.820 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2064.428535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.428535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.428535 (E_RNA) where: Base-Base interactions energy: -1444.773 where: short stacking energy: -608.170 Base-Backbone interact. energy: 3.649 local terms energy: -623.303959 where: bonds (distance) C4'-P energy: -106.259 bonds (distance) P-C4' energy: -117.537 flat angles C4'-P-C4' energy: -149.856 flat angles P-C4'-P energy: -86.763 tors. eta vs tors. theta energy: -162.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2024.040052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.040052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.040052 (E_RNA) where: Base-Base interactions energy: -1415.551 where: short stacking energy: -604.636 Base-Backbone interact. energy: -2.437 local terms energy: -606.051953 where: bonds (distance) C4'-P energy: -111.095 bonds (distance) P-C4' energy: -116.671 flat angles C4'-P-C4' energy: -133.996 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -164.802 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: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1736.938364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.938364 (E_RNA) where: Base-Base interactions energy: -1193.439 where: short stacking energy: -507.386 Base-Backbone interact. energy: 5.219 local terms energy: -548.718655 where: bonds (distance) C4'-P energy: -112.536 bonds (distance) P-C4' energy: -108.676 flat angles C4'-P-C4' energy: -118.096 flat angles P-C4'-P energy: -84.092 tors. eta vs tors. theta energy: -125.319 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: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1691.655479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.655479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.655479 (E_RNA) where: Base-Base interactions energy: -1158.672 where: short stacking energy: -493.911 Base-Backbone interact. energy: -0.099 local terms energy: -532.884834 where: bonds (distance) C4'-P energy: -101.510 bonds (distance) P-C4' energy: -105.914 flat angles C4'-P-C4' energy: -121.115 flat angles P-C4'-P energy: -72.015 tors. eta vs tors. theta energy: -132.331 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: 10 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1478.953341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.953341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.953341 (E_RNA) where: Base-Base interactions energy: -997.299 where: short stacking energy: -395.265 Base-Backbone interact. energy: 4.836 local terms energy: -486.490396 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -119.391 flat angles C4'-P-C4' energy: -125.778 flat angles P-C4'-P energy: -69.470 tors. eta vs tors. theta energy: -71.815 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: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1096.160264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.160264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.160264 (E_RNA) where: Base-Base interactions energy: -705.544 where: short stacking energy: -338.983 Base-Backbone interact. energy: 4.109 local terms energy: -394.725669 where: bonds (distance) C4'-P energy: -82.551 bonds (distance) P-C4' energy: -101.036 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -43.185 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: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -910.268522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.268522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.268522 (E_RNA) where: Base-Base interactions energy: -522.583 where: short stacking energy: -254.512 Base-Backbone interact. energy: -0.013 local terms energy: -387.672486 where: bonds (distance) C4'-P energy: -90.640 bonds (distance) P-C4' energy: -112.770 flat angles C4'-P-C4' energy: -105.471 flat angles P-C4'-P energy: -54.350 tors. eta vs tors. theta energy: -24.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2341.455744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.455744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.455744 (E_RNA) where: Base-Base interactions energy: -1653.474 where: short stacking energy: -687.259 Base-Backbone interact. energy: -4.857 local terms energy: -683.125206 where: bonds (distance) C4'-P energy: -117.753 bonds (distance) P-C4' energy: -140.478 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -98.146 tors. eta vs tors. theta energy: -178.069 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: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2278.029042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.029042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.029042 (E_RNA) where: Base-Base interactions energy: -1626.678 where: short stacking energy: -678.550 Base-Backbone interact. energy: -1.055 local terms energy: -650.295541 where: bonds (distance) C4'-P energy: -116.605 bonds (distance) P-C4' energy: -124.208 flat angles C4'-P-C4' energy: -140.873 flat angles P-C4'-P energy: -87.857 tors. eta vs tors. theta energy: -180.752 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: 3, replica: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2286.184593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.184593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.184593 (E_RNA) where: Base-Base interactions energy: -1620.941 where: short stacking energy: -700.599 Base-Backbone interact. energy: -0.853 local terms energy: -664.390760 where: bonds (distance) C4'-P energy: -109.012 bonds (distance) P-C4' energy: -114.465 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -201.625 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: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2073.317077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.317077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.317077 (E_RNA) where: Base-Base interactions energy: -1442.573 where: short stacking energy: -600.278 Base-Backbone interact. energy: -4.344 local terms energy: -626.400165 where: bonds (distance) C4'-P energy: -122.647 bonds (distance) P-C4' energy: -111.896 flat angles C4'-P-C4' energy: -130.414 flat angles P-C4'-P energy: -98.978 tors. eta vs tors. theta energy: -162.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2021.826714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.826714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.826714 (E_RNA) where: Base-Base interactions energy: -1415.089 where: short stacking energy: -584.119 Base-Backbone interact. energy: -3.473 local terms energy: -603.264642 where: bonds (distance) C4'-P energy: -112.528 bonds (distance) P-C4' energy: -111.184 flat angles C4'-P-C4' energy: -130.803 flat angles P-C4'-P energy: -81.743 tors. eta vs tors. theta energy: -167.007 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: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1794.946908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.946908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.946908 (E_RNA) where: Base-Base interactions energy: -1244.883 where: short stacking energy: -536.500 Base-Backbone interact. energy: -2.532 local terms energy: -547.532132 where: bonds (distance) C4'-P energy: -94.571 bonds (distance) P-C4' energy: -115.263 flat angles C4'-P-C4' energy: -133.011 flat angles P-C4'-P energy: -80.815 tors. eta vs tors. theta energy: -123.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1674.736265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.736265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.736265 (E_RNA) where: Base-Base interactions energy: -1142.250 where: short stacking energy: -469.658 Base-Backbone interact. energy: -0.363 local terms energy: -532.123322 where: bonds (distance) C4'-P energy: -93.803 bonds (distance) P-C4' energy: -111.014 flat angles C4'-P-C4' energy: -127.787 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -123.541 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: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1411.857001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.857001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.857001 (E_RNA) where: Base-Base interactions energy: -948.663 where: short stacking energy: -433.690 Base-Backbone interact. energy: 5.273 local terms energy: -468.467209 where: bonds (distance) C4'-P energy: -104.996 bonds (distance) P-C4' energy: -106.663 flat angles C4'-P-C4' energy: -107.555 flat angles P-C4'-P energy: -67.159 tors. eta vs tors. theta energy: -82.094 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: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1118.907847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.907847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.907847 (E_RNA) where: Base-Base interactions energy: -690.050 where: short stacking energy: -315.106 Base-Backbone interact. energy: -1.088 local terms energy: -427.769699 where: bonds (distance) C4'-P energy: -105.480 bonds (distance) P-C4' energy: -114.922 flat angles C4'-P-C4' energy: -86.791 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -47.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -939.859236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.859236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.859236 (E_RNA) where: Base-Base interactions energy: -555.653 where: short stacking energy: -283.682 Base-Backbone interact. energy: 0.291 local terms energy: -384.497339 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -103.380 flat angles C4'-P-C4' energy: -99.371 flat angles P-C4'-P energy: -54.539 tors. eta vs tors. theta energy: -39.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2379.934853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.934853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.934853 (E_RNA) where: Base-Base interactions energy: -1695.468 where: short stacking energy: -699.840 Base-Backbone interact. energy: 1.077 local terms energy: -685.544535 where: bonds (distance) C4'-P energy: -131.327 bonds (distance) P-C4' energy: -119.106 flat angles C4'-P-C4' energy: -149.311 flat angles P-C4'-P energy: -102.665 tors. eta vs tors. theta energy: -183.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2301.382285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.382285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.382285 (E_RNA) where: Base-Base interactions energy: -1642.890 where: short stacking energy: -644.618 Base-Backbone interact. energy: -3.071 local terms energy: -655.421886 where: bonds (distance) C4'-P energy: -117.804 bonds (distance) P-C4' energy: -133.065 flat angles C4'-P-C4' energy: -142.355 flat angles P-C4'-P energy: -88.770 tors. eta vs tors. theta energy: -173.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2233.501399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.501399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.501399 (E_RNA) where: Base-Base interactions energy: -1577.870 where: short stacking energy: -657.802 Base-Backbone interact. energy: -3.212 local terms energy: -652.420063 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -114.485 flat angles C4'-P-C4' energy: -141.835 flat angles P-C4'-P energy: -99.519 tors. eta vs tors. theta energy: -176.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2053.105343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.105343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.105343 (E_RNA) where: Base-Base interactions energy: -1410.950 where: short stacking energy: -589.975 Base-Backbone interact. energy: -3.198 local terms energy: -638.956583 where: bonds (distance) C4'-P energy: -128.345 bonds (distance) P-C4' energy: -129.771 flat angles C4'-P-C4' energy: -135.243 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -156.966 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: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2015.338683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.338683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.338683 (E_RNA) where: Base-Base interactions energy: -1383.889 where: short stacking energy: -592.036 Base-Backbone interact. energy: -6.602 local terms energy: -624.846937 where: bonds (distance) C4'-P energy: -106.080 bonds (distance) P-C4' energy: -119.077 flat angles C4'-P-C4' energy: -142.094 flat angles P-C4'-P energy: -86.154 tors. eta vs tors. theta energy: -171.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1800.830544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.830544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.830544 (E_RNA) where: Base-Base interactions energy: -1242.037 where: short stacking energy: -518.710 Base-Backbone interact. energy: -3.597 local terms energy: -555.196208 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -117.958 flat angles C4'-P-C4' energy: -121.615 flat angles P-C4'-P energy: -71.213 tors. eta vs tors. theta energy: -133.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1614.788131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.788131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.788131 (E_RNA) where: Base-Base interactions energy: -1090.457 where: short stacking energy: -465.865 Base-Backbone interact. energy: 2.150 local terms energy: -526.481566 where: bonds (distance) C4'-P energy: -104.390 bonds (distance) P-C4' energy: -120.910 flat angles C4'-P-C4' energy: -111.520 flat angles P-C4'-P energy: -77.374 tors. eta vs tors. theta energy: -112.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1403.814356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.814356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.814356 (E_RNA) where: Base-Base interactions energy: -912.474 where: short stacking energy: -399.446 Base-Backbone interact. energy: 0.436 local terms energy: -491.775835 where: bonds (distance) C4'-P energy: -109.122 bonds (distance) P-C4' energy: -91.865 flat angles C4'-P-C4' energy: -129.047 flat angles P-C4'-P energy: -83.452 tors. eta vs tors. theta energy: -78.290 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: 9, replica: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1087.975607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.975607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.975607 (E_RNA) where: Base-Base interactions energy: -676.911 where: short stacking energy: -329.401 Base-Backbone interact. energy: 0.457 local terms energy: -411.521410 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -116.953 flat angles C4'-P-C4' energy: -97.305 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -33.600 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: 10, replica: 7 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -982.624153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.624153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.624153 (E_RNA) where: Base-Base interactions energy: -581.620 where: short stacking energy: -276.415 Base-Backbone interact. energy: 3.217 local terms energy: -404.221381 where: bonds (distance) C4'-P energy: -123.370 bonds (distance) P-C4' energy: -106.868 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -36.257 tors. eta vs tors. theta energy: -36.697 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: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2373.342496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.342496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.342496 (E_RNA) where: Base-Base interactions energy: -1701.949 where: short stacking energy: -674.801 Base-Backbone interact. energy: 1.269 local terms energy: -672.662917 where: bonds (distance) C4'-P energy: -118.092 bonds (distance) P-C4' energy: -133.995 flat angles C4'-P-C4' energy: -149.390 flat angles P-C4'-P energy: -94.856 tors. eta vs tors. theta energy: -176.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2285.184135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.184135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.184135 (E_RNA) where: Base-Base interactions energy: -1606.656 where: short stacking energy: -656.557 Base-Backbone interact. energy: -1.413 local terms energy: -677.115544 where: bonds (distance) C4'-P energy: -132.398 bonds (distance) P-C4' energy: -128.220 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -86.328 tors. eta vs tors. theta energy: -180.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2242.237541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.237541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.237541 (E_RNA) where: Base-Base interactions energy: -1565.723 where: short stacking energy: -672.680 Base-Backbone interact. energy: -4.240 local terms energy: -672.274036 where: bonds (distance) C4'-P energy: -120.211 bonds (distance) P-C4' energy: -127.942 flat angles C4'-P-C4' energy: -145.895 flat angles P-C4'-P energy: -94.611 tors. eta vs tors. theta energy: -183.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2075.227163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.227163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.227163 (E_RNA) where: Base-Base interactions energy: -1438.381 where: short stacking energy: -611.570 Base-Backbone interact. energy: -6.526 local terms energy: -630.320647 where: bonds (distance) C4'-P energy: -117.770 bonds (distance) P-C4' energy: -123.861 flat angles C4'-P-C4' energy: -136.068 flat angles P-C4'-P energy: -82.069 tors. eta vs tors. theta energy: -170.554 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: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1992.597416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.597416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.597416 (E_RNA) where: Base-Base interactions energy: -1382.720 where: short stacking energy: -593.203 Base-Backbone interact. energy: -2.802 local terms energy: -607.075014 where: bonds (distance) C4'-P energy: -117.991 bonds (distance) P-C4' energy: -130.364 flat angles C4'-P-C4' energy: -118.156 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -160.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1843.812837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.812837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.812837 (E_RNA) where: Base-Base interactions energy: -1264.098 where: short stacking energy: -556.340 Base-Backbone interact. energy: -1.449 local terms energy: -578.265664 where: bonds (distance) C4'-P energy: -104.974 bonds (distance) P-C4' energy: -115.342 flat angles C4'-P-C4' energy: -109.178 flat angles P-C4'-P energy: -94.585 tors. eta vs tors. theta energy: -154.186 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: 8 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1614.429655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.429655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.429655 (E_RNA) where: Base-Base interactions energy: -1100.395 where: short stacking energy: -485.557 Base-Backbone interact. energy: -1.248 local terms energy: -512.786804 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -116.415 flat angles C4'-P-C4' energy: -106.362 flat angles P-C4'-P energy: -77.696 tors. eta vs tors. theta energy: -117.195 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: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1412.833275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.833275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.833275 (E_RNA) where: Base-Base interactions energy: -922.332 where: short stacking energy: -380.285 Base-Backbone interact. energy: -4.010 local terms energy: -486.490670 where: bonds (distance) C4'-P energy: -115.776 bonds (distance) P-C4' energy: -108.552 flat angles C4'-P-C4' energy: -124.402 flat angles P-C4'-P energy: -69.962 tors. eta vs tors. theta energy: -67.799 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: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1140.698541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.698541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.698541 (E_RNA) where: Base-Base interactions energy: -711.989 where: short stacking energy: -337.326 Base-Backbone interact. energy: -2.218 local terms energy: -426.491549 where: bonds (distance) C4'-P energy: -94.949 bonds (distance) P-C4' energy: -103.422 flat angles C4'-P-C4' energy: -104.528 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -53.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -951.424300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.424300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.424300 (E_RNA) where: Base-Base interactions energy: -556.334 where: short stacking energy: -279.748 Base-Backbone interact. energy: -1.944 local terms energy: -393.146285 where: bonds (distance) C4'-P energy: -103.935 bonds (distance) P-C4' energy: -106.139 flat angles C4'-P-C4' energy: -92.016 flat angles P-C4'-P energy: -54.641 tors. eta vs tors. theta energy: -36.416 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: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2359.176358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.176358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.176358 (E_RNA) where: Base-Base interactions energy: -1712.428 where: short stacking energy: -661.641 Base-Backbone interact. energy: -3.474 local terms energy: -643.274577 where: bonds (distance) C4'-P energy: -117.517 bonds (distance) P-C4' energy: -120.792 flat angles C4'-P-C4' energy: -145.442 flat angles P-C4'-P energy: -93.282 tors. eta vs tors. theta energy: -166.241 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: 2, replica: 9 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2321.174076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.174076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.174076 (E_RNA) where: Base-Base interactions energy: -1633.101 where: short stacking energy: -656.879 Base-Backbone interact. energy: -2.429 local terms energy: -685.643400 where: bonds (distance) C4'-P energy: -114.510 bonds (distance) P-C4' energy: -138.477 flat angles C4'-P-C4' energy: -152.167 flat angles P-C4'-P energy: -95.442 tors. eta vs tors. theta energy: -185.048 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2159.283303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.283303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.283303 (E_RNA) where: Base-Base interactions energy: -1499.791 where: short stacking energy: -652.494 Base-Backbone interact. energy: -3.402 local terms energy: -656.090427 where: bonds (distance) C4'-P energy: -108.569 bonds (distance) P-C4' energy: -128.728 flat angles C4'-P-C4' energy: -142.489 flat angles P-C4'-P energy: -101.714 tors. eta vs tors. theta energy: -174.590 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: 188 Temperature: 1.050000 Total energy: -2198.755412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.755412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.755412 (E_RNA) where: Base-Base interactions energy: -1536.433 where: short stacking energy: -662.520 Base-Backbone interact. energy: -5.307 local terms energy: -657.015711 where: bonds (distance) C4'-P energy: -109.912 bonds (distance) P-C4' energy: -128.698 flat angles C4'-P-C4' energy: -146.689 flat angles P-C4'-P energy: -90.340 tors. eta vs tors. theta energy: -181.377 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: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1992.508380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.508380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.508380 (E_RNA) where: Base-Base interactions energy: -1401.436 where: short stacking energy: -573.938 Base-Backbone interact. energy: 0.095 local terms energy: -591.167498 where: bonds (distance) C4'-P energy: -107.690 bonds (distance) P-C4' energy: -118.090 flat angles C4'-P-C4' energy: -131.240 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -144.665 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: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1801.464471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.464471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.464471 (E_RNA) where: Base-Base interactions energy: -1231.891 where: short stacking energy: -533.869 Base-Backbone interact. energy: -2.480 local terms energy: -567.093458 where: bonds (distance) C4'-P energy: -115.192 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -118.277 flat angles P-C4'-P energy: -87.832 tors. eta vs tors. theta energy: -136.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1626.913385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.913385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.913385 (E_RNA) where: Base-Base interactions energy: -1093.945 where: short stacking energy: -470.425 Base-Backbone interact. energy: -2.409 local terms energy: -530.559810 where: bonds (distance) C4'-P energy: -112.868 bonds (distance) P-C4' energy: -111.073 flat angles C4'-P-C4' energy: -126.595 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -117.733 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: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1449.150953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.150953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.150953 (E_RNA) where: Base-Base interactions energy: -982.189 where: short stacking energy: -399.751 Base-Backbone interact. energy: 0.026 local terms energy: -466.988183 where: bonds (distance) C4'-P energy: -108.346 bonds (distance) P-C4' energy: -107.948 flat angles C4'-P-C4' energy: -106.846 flat angles P-C4'-P energy: -59.290 tors. eta vs tors. theta energy: -84.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1167.024818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.024818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.024818 (E_RNA) where: Base-Base interactions energy: -737.915 where: short stacking energy: -338.238 Base-Backbone interact. energy: -4.322 local terms energy: -424.788317 where: bonds (distance) C4'-P energy: -97.255 bonds (distance) P-C4' energy: -100.894 flat angles C4'-P-C4' energy: -110.749 flat angles P-C4'-P energy: -67.589 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: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -960.838986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.838986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.838986 (E_RNA) where: Base-Base interactions energy: -568.087 where: short stacking energy: -269.942 Base-Backbone interact. energy: 2.238 local terms energy: -394.990667 where: bonds (distance) C4'-P energy: -105.370 bonds (distance) P-C4' energy: -105.760 flat angles C4'-P-C4' energy: -86.976 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -36.583 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: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2370.199717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.199717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.199717 (E_RNA) where: Base-Base interactions energy: -1672.839 where: short stacking energy: -654.912 Base-Backbone interact. energy: -2.075 local terms energy: -695.285361 where: bonds (distance) C4'-P energy: -140.734 bonds (distance) P-C4' energy: -135.239 flat angles C4'-P-C4' energy: -140.198 flat angles P-C4'-P energy: -108.522 tors. eta vs tors. theta energy: -170.593 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: 2, replica: 9 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2290.823137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.823137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.823137 (E_RNA) where: Base-Base interactions energy: -1620.270 where: short stacking energy: -641.792 Base-Backbone interact. energy: -0.909 local terms energy: -669.643722 where: bonds (distance) C4'-P energy: -127.964 bonds (distance) P-C4' energy: -126.709 flat angles C4'-P-C4' energy: -147.568 flat angles P-C4'-P energy: -89.097 tors. eta vs tors. theta energy: -178.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2147.552031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.552031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.552031 (E_RNA) where: Base-Base interactions energy: -1483.675 where: short stacking energy: -642.217 Base-Backbone interact. energy: -2.700 local terms energy: -661.177224 where: bonds (distance) C4'-P energy: -121.532 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -137.739 flat angles P-C4'-P energy: -94.305 tors. eta vs tors. theta energy: -176.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2193.368666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.368666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.368666 (E_RNA) where: Base-Base interactions energy: -1557.487 where: short stacking energy: -636.997 Base-Backbone interact. energy: 6.507 local terms energy: -642.388791 where: bonds (distance) C4'-P energy: -118.807 bonds (distance) P-C4' energy: -122.955 flat angles C4'-P-C4' energy: -136.238 flat angles P-C4'-P energy: -94.261 tors. eta vs tors. theta energy: -170.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2001.206353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.206353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.206353 (E_RNA) where: Base-Base interactions energy: -1396.164 where: short stacking energy: -592.972 Base-Backbone interact. energy: -2.422 local terms energy: -602.620212 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -125.905 flat angles C4'-P-C4' energy: -124.530 flat angles P-C4'-P energy: -82.818 tors. eta vs tors. theta energy: -156.816 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: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1838.462701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.462701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.462701 (E_RNA) where: Base-Base interactions energy: -1245.647 where: short stacking energy: -539.946 Base-Backbone interact. energy: -0.074 local terms energy: -592.741793 where: bonds (distance) C4'-P energy: -121.359 bonds (distance) P-C4' energy: -116.623 flat angles C4'-P-C4' energy: -127.697 flat angles P-C4'-P energy: -83.730 tors. eta vs tors. theta energy: -143.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1659.945887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.945887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.945887 (E_RNA) where: Base-Base interactions energy: -1131.795 where: short stacking energy: -490.444 Base-Backbone interact. energy: -3.037 local terms energy: -525.113682 where: bonds (distance) C4'-P energy: -88.555 bonds (distance) P-C4' energy: -106.161 flat angles C4'-P-C4' energy: -134.505 flat angles P-C4'-P energy: -73.343 tors. eta vs tors. theta energy: -122.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1457.407959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.407959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.407959 (E_RNA) where: Base-Base interactions energy: -960.421 where: short stacking energy: -422.078 Base-Backbone interact. energy: -0.956 local terms energy: -496.030895 where: bonds (distance) C4'-P energy: -101.561 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -128.685 flat angles P-C4'-P energy: -85.026 tors. eta vs tors. theta energy: -85.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1184.378367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.378367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.378367 (E_RNA) where: Base-Base interactions energy: -727.659 where: short stacking energy: -340.965 Base-Backbone interact. energy: -3.422 local terms energy: -453.297369 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -107.561 flat angles C4'-P-C4' energy: -117.194 flat angles P-C4'-P energy: -56.880 tors. eta vs tors. theta energy: -61.652 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -973.416753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.416753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.416753 (E_RNA) where: Base-Base interactions energy: -562.130 where: short stacking energy: -282.593 Base-Backbone interact. energy: 2.796 local terms energy: -414.082169 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -110.681 flat angles C4'-P-C4' energy: -99.836 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -31.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2365.301012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.301012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.301012 (E_RNA) where: Base-Base interactions energy: -1692.480 where: short stacking energy: -663.108 Base-Backbone interact. energy: -6.130 local terms energy: -666.690942 where: bonds (distance) C4'-P energy: -127.157 bonds (distance) P-C4' energy: -126.355 flat angles C4'-P-C4' energy: -147.935 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -164.656 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: 9 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2303.056286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.056286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.056286 (E_RNA) where: Base-Base interactions energy: -1622.181 where: short stacking energy: -678.807 Base-Backbone interact. energy: -3.030 local terms energy: -677.844940 where: bonds (distance) C4'-P energy: -123.798 bonds (distance) P-C4' energy: -126.682 flat angles C4'-P-C4' energy: -147.266 flat angles P-C4'-P energy: -83.199 tors. eta vs tors. theta energy: -196.899 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: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2250.553695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.553695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.553695 (E_RNA) where: Base-Base interactions energy: -1574.559 where: short stacking energy: -662.466 Base-Backbone interact. energy: 0.622 local terms energy: -676.616500 where: bonds (distance) C4'-P energy: -122.890 bonds (distance) P-C4' energy: -131.194 flat angles C4'-P-C4' energy: -147.332 flat angles P-C4'-P energy: -98.226 tors. eta vs tors. theta energy: -176.975 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: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2092.321522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.321522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.321522 (E_RNA) where: Base-Base interactions energy: -1463.348 where: short stacking energy: -628.055 Base-Backbone interact. energy: -6.032 local terms energy: -622.942179 where: bonds (distance) C4'-P energy: -99.824 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -142.007 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -173.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2011.186901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.186901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.186901 (E_RNA) where: Base-Base interactions energy: -1404.191 where: short stacking energy: -600.178 Base-Backbone interact. energy: -2.593 local terms energy: -604.403255 where: bonds (distance) C4'-P energy: -104.728 bonds (distance) P-C4' energy: -125.096 flat angles C4'-P-C4' energy: -136.892 flat angles P-C4'-P energy: -85.552 tors. eta vs tors. theta energy: -152.134 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: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1854.292035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.292035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.292035 (E_RNA) where: Base-Base interactions energy: -1257.989 where: short stacking energy: -547.371 Base-Backbone interact. energy: -2.923 local terms energy: -593.380999 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -117.318 flat angles C4'-P-C4' energy: -141.817 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: -149.883 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: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1698.230695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.230695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.230695 (E_RNA) where: Base-Base interactions energy: -1144.255 where: short stacking energy: -505.293 Base-Backbone interact. energy: 0.526 local terms energy: -554.501777 where: bonds (distance) C4'-P energy: -104.953 bonds (distance) P-C4' energy: -114.549 flat angles C4'-P-C4' energy: -120.188 flat angles P-C4'-P energy: -83.369 tors. eta vs tors. theta energy: -131.441 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: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1489.216640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.216640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.216640 (E_RNA) where: Base-Base interactions energy: -1023.760 where: short stacking energy: -417.920 Base-Backbone interact. energy: 0.493 local terms energy: -465.949549 where: bonds (distance) C4'-P energy: -94.268 bonds (distance) P-C4' energy: -126.786 flat angles C4'-P-C4' energy: -102.069 flat angles P-C4'-P energy: -66.512 tors. eta vs tors. theta energy: -76.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1113.964592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.964592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.964592 (E_RNA) where: Base-Base interactions energy: -695.702 where: short stacking energy: -337.831 Base-Backbone interact. energy: 1.413 local terms energy: -419.675749 where: bonds (distance) C4'-P energy: -103.039 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -113.312 flat angles P-C4'-P energy: -64.593 tors. eta vs tors. theta energy: -44.856 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: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -926.663845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.663845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.663845 (E_RNA) where: Base-Base interactions energy: -519.574 where: short stacking energy: -255.819 Base-Backbone interact. energy: -3.782 local terms energy: -403.307802 where: bonds (distance) C4'-P energy: -109.617 bonds (distance) P-C4' energy: -111.243 flat angles C4'-P-C4' energy: -101.079 flat angles P-C4'-P energy: -62.293 tors. eta vs tors. theta energy: -19.076 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: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2345.379189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.379189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.379189 (E_RNA) where: Base-Base interactions energy: -1667.594 where: short stacking energy: -672.270 Base-Backbone interact. energy: -6.936 local terms energy: -670.848212 where: bonds (distance) C4'-P energy: -122.955 bonds (distance) P-C4' energy: -126.940 flat angles C4'-P-C4' energy: -154.657 flat angles P-C4'-P energy: -98.936 tors. eta vs tors. theta energy: -167.361 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: 9 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2320.984821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.984821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.984821 (E_RNA) where: Base-Base interactions energy: -1663.211 where: short stacking energy: -691.361 Base-Backbone interact. energy: 0.418 local terms energy: -658.192163 where: bonds (distance) C4'-P energy: -125.897 bonds (distance) P-C4' energy: -118.130 flat angles C4'-P-C4' energy: -148.914 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -178.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2224.191165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.191165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.191165 (E_RNA) where: Base-Base interactions energy: -1611.057 where: short stacking energy: -654.836 Base-Backbone interact. energy: -2.685 local terms energy: -610.448408 where: bonds (distance) C4'-P energy: -120.570 bonds (distance) P-C4' energy: -112.062 flat angles C4'-P-C4' energy: -125.214 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: -165.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2066.087963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.087963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.087963 (E_RNA) where: Base-Base interactions energy: -1463.756 where: short stacking energy: -607.992 Base-Backbone interact. energy: -1.372 local terms energy: -600.960783 where: bonds (distance) C4'-P energy: -104.665 bonds (distance) P-C4' energy: -136.349 flat angles C4'-P-C4' energy: -133.381 flat angles P-C4'-P energy: -64.075 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: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2030.059690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.059690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.059690 (E_RNA) where: Base-Base interactions energy: -1407.778 where: short stacking energy: -603.739 Base-Backbone interact. energy: -2.517 local terms energy: -619.765178 where: bonds (distance) C4'-P energy: -119.578 bonds (distance) P-C4' energy: -114.358 flat angles C4'-P-C4' energy: -136.571 flat angles P-C4'-P energy: -88.599 tors. eta vs tors. theta energy: -160.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1815.396302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.396302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.396302 (E_RNA) where: Base-Base interactions energy: -1228.921 where: short stacking energy: -534.851 Base-Backbone interact. energy: -1.659 local terms energy: -584.815550 where: bonds (distance) C4'-P energy: -103.267 bonds (distance) P-C4' energy: -130.783 flat angles C4'-P-C4' energy: -116.471 flat angles P-C4'-P energy: -82.774 tors. eta vs tors. theta energy: -151.520 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: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1617.462807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.462807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.462807 (E_RNA) where: Base-Base interactions energy: -1101.512 where: short stacking energy: -468.874 Base-Backbone interact. energy: -2.004 local terms energy: -513.946320 where: bonds (distance) C4'-P energy: -100.596 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -121.760 flat angles P-C4'-P energy: -73.695 tors. eta vs tors. theta energy: -114.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1522.833853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.833853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.833853 (E_RNA) where: Base-Base interactions energy: -1014.041 where: short stacking energy: -458.499 Base-Backbone interact. energy: 0.049 local terms energy: -508.842417 where: bonds (distance) C4'-P energy: -113.498 bonds (distance) P-C4' energy: -115.779 flat angles C4'-P-C4' energy: -116.145 flat angles P-C4'-P energy: -59.683 tors. eta vs tors. theta energy: -103.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1187.641579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.641579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.641579 (E_RNA) where: Base-Base interactions energy: -733.730 where: short stacking energy: -336.150 Base-Backbone interact. energy: -1.512 local terms energy: -452.399881 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -108.758 flat angles C4'-P-C4' energy: -112.437 flat angles P-C4'-P energy: -67.850 tors. eta vs tors. theta energy: -62.281 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: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -960.011042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.011042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.011042 (E_RNA) where: Base-Base interactions energy: -590.677 where: short stacking energy: -282.809 Base-Backbone interact. energy: 1.513 local terms energy: -370.847300 where: bonds (distance) C4'-P energy: -89.203 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -95.624 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -32.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2392.681431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.681431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.681431 (E_RNA) where: Base-Base interactions energy: -1687.455 where: short stacking energy: -693.343 Base-Backbone interact. energy: -1.109 local terms energy: -704.117202 where: bonds (distance) C4'-P energy: -138.017 bonds (distance) P-C4' energy: -124.858 flat angles C4'-P-C4' energy: -159.438 flat angles P-C4'-P energy: -105.349 tors. eta vs tors. theta energy: -176.454 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: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2273.216085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.216085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.216085 (E_RNA) where: Base-Base interactions energy: -1618.587 where: short stacking energy: -644.323 Base-Backbone interact. energy: 0.685 local terms energy: -655.314389 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -132.803 flat angles C4'-P-C4' energy: -147.223 flat angles P-C4'-P energy: -82.640 tors. eta vs tors. theta energy: -170.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2267.761093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.761093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.761093 (E_RNA) where: Base-Base interactions energy: -1616.641 where: short stacking energy: -662.368 Base-Backbone interact. energy: -1.776 local terms energy: -649.343827 where: bonds (distance) C4'-P energy: -106.451 bonds (distance) P-C4' energy: -126.627 flat angles C4'-P-C4' energy: -146.729 flat angles P-C4'-P energy: -95.599 tors. eta vs tors. theta energy: -173.938 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: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2050.053868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.053868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.053868 (E_RNA) where: Base-Base interactions energy: -1431.291 where: short stacking energy: -588.451 Base-Backbone interact. energy: -6.213 local terms energy: -612.549376 where: bonds (distance) C4'-P energy: -127.222 bonds (distance) P-C4' energy: -107.912 flat angles C4'-P-C4' energy: -133.087 flat angles P-C4'-P energy: -90.519 tors. eta vs tors. theta energy: -153.809 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: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2024.252655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.252655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.252655 (E_RNA) where: Base-Base interactions energy: -1421.232 where: short stacking energy: -574.041 Base-Backbone interact. energy: 0.879 local terms energy: -603.899135 where: bonds (distance) C4'-P energy: -113.203 bonds (distance) P-C4' energy: -128.353 flat angles C4'-P-C4' energy: -129.611 flat angles P-C4'-P energy: -87.824 tors. eta vs tors. theta energy: -144.908 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: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1875.793222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.793222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.793222 (E_RNA) where: Base-Base interactions energy: -1293.192 where: short stacking energy: -580.880 Base-Backbone interact. energy: -2.000 local terms energy: -580.601457 where: bonds (distance) C4'-P energy: -97.688 bonds (distance) P-C4' energy: -118.837 flat angles C4'-P-C4' energy: -135.827 flat angles P-C4'-P energy: -62.980 tors. eta vs tors. theta energy: -165.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1672.283094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.283094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.283094 (E_RNA) where: Base-Base interactions energy: -1129.070 where: short stacking energy: -505.750 Base-Backbone interact. energy: 2.576 local terms energy: -545.789220 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -134.877 flat angles P-C4'-P energy: -78.405 tors. eta vs tors. theta energy: -128.396 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: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1443.711622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.711622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.711622 (E_RNA) where: Base-Base interactions energy: -960.000 where: short stacking energy: -414.299 Base-Backbone interact. energy: 3.413 local terms energy: -487.124682 where: bonds (distance) C4'-P energy: -110.071 bonds (distance) P-C4' energy: -116.507 flat angles C4'-P-C4' energy: -118.838 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: -85.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1238.948842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.948842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.948842 (E_RNA) where: Base-Base interactions energy: -797.563 where: short stacking energy: -390.444 Base-Backbone interact. energy: 1.606 local terms energy: -442.991746 where: bonds (distance) C4'-P energy: -99.868 bonds (distance) P-C4' energy: -98.641 flat angles C4'-P-C4' energy: -111.406 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -65.498 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: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -961.901421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.901421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.901421 (E_RNA) where: Base-Base interactions energy: -568.819 where: short stacking energy: -300.746 Base-Backbone interact. energy: -2.156 local terms energy: -390.926626 where: bonds (distance) C4'-P energy: -105.548 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -89.362 flat angles P-C4'-P energy: -72.765 tors. eta vs tors. theta energy: -30.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2380.347346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.347346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.347346 (E_RNA) where: Base-Base interactions energy: -1693.554 where: short stacking energy: -685.652 Base-Backbone interact. energy: 0.842 local terms energy: -687.635688 where: bonds (distance) C4'-P energy: -137.120 bonds (distance) P-C4' energy: -121.231 flat angles C4'-P-C4' energy: -142.256 flat angles P-C4'-P energy: -107.957 tors. eta vs tors. theta energy: -179.072 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: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2284.597000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.597000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.597000 (E_RNA) where: Base-Base interactions energy: -1625.223 where: short stacking energy: -671.812 Base-Backbone interact. energy: -1.892 local terms energy: -657.481236 where: bonds (distance) C4'-P energy: -130.428 bonds (distance) P-C4' energy: -121.774 flat angles C4'-P-C4' energy: -148.563 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -176.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2229.706255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.706255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.706255 (E_RNA) where: Base-Base interactions energy: -1580.745 where: short stacking energy: -634.714 Base-Backbone interact. energy: -1.573 local terms energy: -647.387675 where: bonds (distance) C4'-P energy: -123.643 bonds (distance) P-C4' energy: -112.632 flat angles C4'-P-C4' energy: -144.011 flat angles P-C4'-P energy: -92.361 tors. eta vs tors. theta energy: -174.741 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: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2054.114451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.114451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.114451 (E_RNA) where: Base-Base interactions energy: -1434.070 where: short stacking energy: -614.705 Base-Backbone interact. energy: -0.394 local terms energy: -619.650365 where: bonds (distance) C4'-P energy: -122.467 bonds (distance) P-C4' energy: -112.467 flat angles C4'-P-C4' energy: -135.348 flat angles P-C4'-P energy: -86.453 tors. eta vs tors. theta energy: -162.916 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: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2020.533679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.533679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.533679 (E_RNA) where: Base-Base interactions energy: -1441.436 where: short stacking energy: -570.401 Base-Backbone interact. energy: 0.574 local terms energy: -579.671906 where: bonds (distance) C4'-P energy: -105.054 bonds (distance) P-C4' energy: -111.186 flat angles C4'-P-C4' energy: -134.676 flat angles P-C4'-P energy: -81.322 tors. eta vs tors. theta energy: -147.434 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: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1926.667735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.667735 (E_RNA) where: Base-Base interactions energy: -1332.730 where: short stacking energy: -555.811 Base-Backbone interact. energy: -2.995 local terms energy: -590.943078 where: bonds (distance) C4'-P energy: -118.569 bonds (distance) P-C4' energy: -116.978 flat angles C4'-P-C4' energy: -135.973 flat angles P-C4'-P energy: -76.916 tors. eta vs tors. theta energy: -142.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1735.756339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.756339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.756339 (E_RNA) where: Base-Base interactions energy: -1164.165 where: short stacking energy: -527.927 Base-Backbone interact. energy: -2.432 local terms energy: -569.159276 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -123.266 flat angles C4'-P-C4' energy: -129.409 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -132.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1493.903044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.903044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.903044 (E_RNA) where: Base-Base interactions energy: -1024.280 where: short stacking energy: -445.291 Base-Backbone interact. energy: -1.505 local terms energy: -468.118155 where: bonds (distance) C4'-P energy: -87.338 bonds (distance) P-C4' energy: -116.580 flat angles C4'-P-C4' energy: -118.445 flat angles P-C4'-P energy: -61.101 tors. eta vs tors. theta energy: -84.655 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: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1182.509311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.509311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.509311 (E_RNA) where: Base-Base interactions energy: -739.426 where: short stacking energy: -338.338 Base-Backbone interact. energy: -0.454 local terms energy: -442.629625 where: bonds (distance) C4'-P energy: -103.163 bonds (distance) P-C4' energy: -119.474 flat angles C4'-P-C4' energy: -100.335 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -54.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -936.992316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.992316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.992316 (E_RNA) where: Base-Base interactions energy: -555.228 where: short stacking energy: -287.316 Base-Backbone interact. energy: -1.112 local terms energy: -380.652428 where: bonds (distance) C4'-P energy: -90.249 bonds (distance) P-C4' energy: -105.293 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -58.784 tors. eta vs tors. theta energy: -33.774 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: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2390.536964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.536964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.536964 (E_RNA) where: Base-Base interactions energy: -1694.959 where: short stacking energy: -681.344 Base-Backbone interact. energy: -4.516 local terms energy: -691.061722 where: bonds (distance) C4'-P energy: -134.401 bonds (distance) P-C4' energy: -126.064 flat angles C4'-P-C4' energy: -150.750 flat angles P-C4'-P energy: -100.285 tors. eta vs tors. theta energy: -179.561 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2281.746990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.746990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.746990 (E_RNA) where: Base-Base interactions energy: -1607.021 where: short stacking energy: -669.534 Base-Backbone interact. energy: -1.120 local terms energy: -673.605383 where: bonds (distance) C4'-P energy: -107.000 bonds (distance) P-C4' energy: -124.548 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -106.029 tors. eta vs tors. theta energy: -188.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2235.812430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.812430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.812430 (E_RNA) where: Base-Base interactions energy: -1565.419 where: short stacking energy: -643.284 Base-Backbone interact. energy: -2.513 local terms energy: -667.880349 where: bonds (distance) C4'-P energy: -139.993 bonds (distance) P-C4' energy: -123.268 flat angles C4'-P-C4' energy: -144.460 flat angles P-C4'-P energy: -94.451 tors. eta vs tors. theta energy: -165.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2085.832351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.832351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.832351 (E_RNA) where: Base-Base interactions energy: -1467.952 where: short stacking energy: -610.053 Base-Backbone interact. energy: -2.831 local terms energy: -615.048651 where: bonds (distance) C4'-P energy: -112.759 bonds (distance) P-C4' energy: -123.382 flat angles C4'-P-C4' energy: -129.785 flat angles P-C4'-P energy: -85.804 tors. eta vs tors. theta energy: -163.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1995.908635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.908635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.908635 (E_RNA) where: Base-Base interactions energy: -1388.360 where: short stacking energy: -598.889 Base-Backbone interact. energy: 0.810 local terms energy: -608.358545 where: bonds (distance) C4'-P energy: -108.412 bonds (distance) P-C4' energy: -126.024 flat angles C4'-P-C4' energy: -136.742 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -157.823 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: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1846.603733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.603733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.603733 (E_RNA) where: Base-Base interactions energy: -1284.614 where: short stacking energy: -556.974 Base-Backbone interact. energy: 1.744 local terms energy: -563.733185 where: bonds (distance) C4'-P energy: -105.621 bonds (distance) P-C4' energy: -111.134 flat angles C4'-P-C4' energy: -132.392 flat angles P-C4'-P energy: -70.278 tors. eta vs tors. theta energy: -144.308 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: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1732.966491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.966491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.966491 (E_RNA) where: Base-Base interactions energy: -1176.934 where: short stacking energy: -502.703 Base-Backbone interact. energy: -2.484 local terms energy: -553.549112 where: bonds (distance) C4'-P energy: -107.933 bonds (distance) P-C4' energy: -104.864 flat angles C4'-P-C4' energy: -112.871 flat angles P-C4'-P energy: -84.667 tors. eta vs tors. theta energy: -143.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1514.621485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.621485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.621485 (E_RNA) where: Base-Base interactions energy: -1026.370 where: short stacking energy: -433.428 Base-Backbone interact. energy: -2.609 local terms energy: -485.642979 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -100.139 flat angles C4'-P-C4' energy: -116.912 flat angles P-C4'-P energy: -74.715 tors. eta vs tors. theta energy: -89.422 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: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1137.023133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.023133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.023133 (E_RNA) where: Base-Base interactions energy: -700.364 where: short stacking energy: -353.952 Base-Backbone interact. energy: -1.426 local terms energy: -435.233962 where: bonds (distance) C4'-P energy: -86.014 bonds (distance) P-C4' energy: -111.926 flat angles C4'-P-C4' energy: -111.881 flat angles P-C4'-P energy: -78.043 tors. eta vs tors. theta energy: -47.370 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: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -951.765167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.765167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.765167 (E_RNA) where: Base-Base interactions energy: -576.491 where: short stacking energy: -277.040 Base-Backbone interact. energy: 4.103 local terms energy: -379.376871 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -101.748 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -57.515 tors. eta vs tors. theta energy: -33.326 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: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2404.498717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.498717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.498717 (E_RNA) where: Base-Base interactions energy: -1719.998 where: short stacking energy: -712.124 Base-Backbone interact. energy: -5.291 local terms energy: -679.209620 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -116.663 flat angles C4'-P-C4' energy: -149.647 flat angles P-C4'-P energy: -96.625 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: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2308.336836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.336836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.336836 (E_RNA) where: Base-Base interactions energy: -1610.244 where: short stacking energy: -673.849 Base-Backbone interact. energy: -0.236 local terms energy: -697.857548 where: bonds (distance) C4'-P energy: -128.242 bonds (distance) P-C4' energy: -137.238 flat angles C4'-P-C4' energy: -143.561 flat angles P-C4'-P energy: -103.723 tors. eta vs tors. theta energy: -185.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2238.321761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.321761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.321761 (E_RNA) where: Base-Base interactions energy: -1593.120 where: short stacking energy: -627.889 Base-Backbone interact. energy: -5.772 local terms energy: -639.430073 where: bonds (distance) C4'-P energy: -124.834 bonds (distance) P-C4' energy: -117.273 flat angles C4'-P-C4' energy: -140.188 flat angles P-C4'-P energy: -84.745 tors. eta vs tors. theta energy: -172.390 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: 3 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2069.554219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.554219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.554219 (E_RNA) where: Base-Base interactions energy: -1431.501 where: short stacking energy: -585.705 Base-Backbone interact. energy: -0.622 local terms energy: -637.431383 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -136.016 flat angles C4'-P-C4' energy: -138.690 flat angles P-C4'-P energy: -88.880 tors. eta vs tors. theta energy: -157.787 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: 195 Temperature: 1.100000 Total energy: -2037.725678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.725678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.725678 (E_RNA) where: Base-Base interactions energy: -1439.616 where: short stacking energy: -595.679 Base-Backbone interact. energy: -3.706 local terms energy: -594.404250 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -123.095 flat angles C4'-P-C4' energy: -116.483 flat angles P-C4'-P energy: -82.874 tors. eta vs tors. theta energy: -158.361 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: 6, replica: 8 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1825.022949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.022949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.022949 (E_RNA) where: Base-Base interactions energy: -1240.470 where: short stacking energy: -542.373 Base-Backbone interact. energy: 4.881 local terms energy: -589.433160 where: bonds (distance) C4'-P energy: -116.710 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -133.996 flat angles P-C4'-P energy: -70.531 tors. eta vs tors. theta energy: -145.536 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: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1839.162202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.162202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.162202 (E_RNA) where: Base-Base interactions energy: -1261.608 where: short stacking energy: -541.295 Base-Backbone interact. energy: -0.777 local terms energy: -576.777947 where: bonds (distance) C4'-P energy: -107.588 bonds (distance) P-C4' energy: -114.896 flat angles C4'-P-C4' energy: -122.721 flat angles P-C4'-P energy: -80.822 tors. eta vs tors. theta energy: -150.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1585.726485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.726485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.726485 (E_RNA) where: Base-Base interactions energy: -1071.306 where: short stacking energy: -439.239 Base-Backbone interact. energy: 1.093 local terms energy: -515.513317 where: bonds (distance) C4'-P energy: -108.048 bonds (distance) P-C4' energy: -110.964 flat angles C4'-P-C4' energy: -120.877 flat angles P-C4'-P energy: -83.435 tors. eta vs tors. theta energy: -92.190 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: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1150.601010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.601010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.601010 (E_RNA) where: Base-Base interactions energy: -726.099 where: short stacking energy: -346.310 Base-Backbone interact. energy: -3.931 local terms energy: -420.571446 where: bonds (distance) C4'-P energy: -109.006 bonds (distance) P-C4' energy: -97.821 flat angles C4'-P-C4' energy: -100.886 flat angles P-C4'-P energy: -58.320 tors. eta vs tors. theta energy: -54.538 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: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -899.243797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.243797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.243797 (E_RNA) where: Base-Base interactions energy: -533.690 where: short stacking energy: -268.621 Base-Backbone interact. energy: 1.136 local terms energy: -366.689434 where: bonds (distance) C4'-P energy: -84.814 bonds (distance) P-C4' energy: -101.361 flat angles C4'-P-C4' energy: -105.455 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -12.702 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: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2374.580006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.580006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.580006 (E_RNA) where: Base-Base interactions energy: -1682.185 where: short stacking energy: -684.431 Base-Backbone interact. energy: -2.545 local terms energy: -689.850290 where: bonds (distance) C4'-P energy: -136.149 bonds (distance) P-C4' energy: -133.866 flat angles C4'-P-C4' energy: -156.546 flat angles P-C4'-P energy: -96.572 tors. eta vs tors. theta energy: -166.717 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: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2325.307154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.307154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.307154 (E_RNA) where: Base-Base interactions energy: -1642.796 where: short stacking energy: -667.752 Base-Backbone interact. energy: 1.635 local terms energy: -684.146732 where: bonds (distance) C4'-P energy: -133.471 bonds (distance) P-C4' energy: -121.033 flat angles C4'-P-C4' energy: -152.759 flat angles P-C4'-P energy: -93.338 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: 3, replica: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2256.365374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.365374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.365374 (E_RNA) where: Base-Base interactions energy: -1598.753 where: short stacking energy: -654.230 Base-Backbone interact. energy: -1.758 local terms energy: -655.854318 where: bonds (distance) C4'-P energy: -124.176 bonds (distance) P-C4' energy: -125.124 flat angles C4'-P-C4' energy: -146.202 flat angles P-C4'-P energy: -89.103 tors. eta vs tors. theta energy: -171.249 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: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2038.568208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.568208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.568208 (E_RNA) where: Base-Base interactions energy: -1431.066 where: short stacking energy: -585.026 Base-Backbone interact. energy: -2.502 local terms energy: -605.000464 where: bonds (distance) C4'-P energy: -111.056 bonds (distance) P-C4' energy: -124.833 flat angles C4'-P-C4' energy: -132.704 flat angles P-C4'-P energy: -90.267 tors. eta vs tors. theta energy: -146.141 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: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2021.782706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.782706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.782706 (E_RNA) where: Base-Base interactions energy: -1391.719 where: short stacking energy: -552.823 Base-Backbone interact. energy: -2.285 local terms energy: -627.779270 where: bonds (distance) C4'-P energy: -126.027 bonds (distance) P-C4' energy: -129.809 flat angles C4'-P-C4' energy: -136.479 flat angles P-C4'-P energy: -85.621 tors. eta vs tors. theta energy: -149.843 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: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1782.774312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.774312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.774312 (E_RNA) where: Base-Base interactions energy: -1212.495 where: short stacking energy: -533.976 Base-Backbone interact. energy: -1.543 local terms energy: -568.736312 where: bonds (distance) C4'-P energy: -104.456 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -132.605 flat angles P-C4'-P energy: -89.173 tors. eta vs tors. theta energy: -126.388 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: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1741.637635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.637635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.637635 (E_RNA) where: Base-Base interactions energy: -1192.599 where: short stacking energy: -526.531 Base-Backbone interact. energy: 0.105 local terms energy: -549.143547 where: bonds (distance) C4'-P energy: -103.806 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -115.884 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -136.109 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: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1623.020041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.020041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.020041 (E_RNA) where: Base-Base interactions energy: -1129.527 where: short stacking energy: -483.116 Base-Backbone interact. energy: -3.849 local terms energy: -489.644571 where: bonds (distance) C4'-P energy: -100.525 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -108.372 flat angles P-C4'-P energy: -67.161 tors. eta vs tors. theta energy: -103.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1170.892263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.892263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.892263 (E_RNA) where: Base-Base interactions energy: -755.678 where: short stacking energy: -360.251 Base-Backbone interact. energy: 0.929 local terms energy: -416.143211 where: bonds (distance) C4'-P energy: -94.924 bonds (distance) P-C4' energy: -101.300 flat angles C4'-P-C4' energy: -115.510 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -60.311 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: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -963.487253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.487253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.487253 (E_RNA) where: Base-Base interactions energy: -590.411 where: short stacking energy: -269.591 Base-Backbone interact. energy: -0.905 local terms energy: -372.171606 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -103.117 flat angles C4'-P-C4' energy: -70.829 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -35.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2407.931694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.931694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.931694 (E_RNA) where: Base-Base interactions energy: -1724.717 where: short stacking energy: -709.629 Base-Backbone interact. energy: 0.968 local terms energy: -684.183092 where: bonds (distance) C4'-P energy: -122.046 bonds (distance) P-C4' energy: -128.412 flat angles C4'-P-C4' energy: -157.111 flat angles P-C4'-P energy: -96.766 tors. eta vs tors. theta energy: -179.849 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: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2310.113919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.113919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.113919 (E_RNA) where: Base-Base interactions energy: -1631.292 where: short stacking energy: -673.944 Base-Backbone interact. energy: 1.810 local terms energy: -680.631502 where: bonds (distance) C4'-P energy: -124.669 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -155.616 flat angles P-C4'-P energy: -89.764 tors. eta vs tors. theta energy: -185.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2267.210143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.210143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.210143 (E_RNA) where: Base-Base interactions energy: -1610.107 where: short stacking energy: -656.288 Base-Backbone interact. energy: 0.212 local terms energy: -657.315037 where: bonds (distance) C4'-P energy: -126.109 bonds (distance) P-C4' energy: -120.417 flat angles C4'-P-C4' energy: -139.134 flat angles P-C4'-P energy: -95.420 tors. eta vs tors. theta energy: -176.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2091.420324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.420324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.420324 (E_RNA) where: Base-Base interactions energy: -1441.746 where: short stacking energy: -611.519 Base-Backbone interact. energy: -0.415 local terms energy: -649.259086 where: bonds (distance) C4'-P energy: -109.313 bonds (distance) P-C4' energy: -128.829 flat angles C4'-P-C4' energy: -140.852 flat angles P-C4'-P energy: -86.870 tors. eta vs tors. theta energy: -183.395 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: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1969.540491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.540491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.540491 (E_RNA) where: Base-Base interactions energy: -1357.936 where: short stacking energy: -566.085 Base-Backbone interact. energy: -3.631 local terms energy: -607.973533 where: bonds (distance) C4'-P energy: -124.132 bonds (distance) P-C4' energy: -112.316 flat angles C4'-P-C4' energy: -130.088 flat angles P-C4'-P energy: -96.908 tors. eta vs tors. theta energy: -144.530 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: 197 Temperature: 1.150000 Total energy: -1782.423260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.423260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.423260 (E_RNA) where: Base-Base interactions energy: -1219.019 where: short stacking energy: -528.329 Base-Backbone interact. energy: -2.595 local terms energy: -560.808980 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -108.714 flat angles C4'-P-C4' energy: -120.318 flat angles P-C4'-P energy: -87.350 tors. eta vs tors. theta energy: -128.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1718.608254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.608254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.608254 (E_RNA) where: Base-Base interactions energy: -1168.749 where: short stacking energy: -493.956 Base-Backbone interact. energy: -1.922 local terms energy: -547.937540 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -119.357 flat angles C4'-P-C4' energy: -140.680 flat angles P-C4'-P energy: -65.437 tors. eta vs tors. theta energy: -125.376 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: 8, replica: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1584.292070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.292070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.292070 (E_RNA) where: Base-Base interactions energy: -1074.364 where: short stacking energy: -466.453 Base-Backbone interact. energy: -1.653 local terms energy: -508.275364 where: bonds (distance) C4'-P energy: -95.149 bonds (distance) P-C4' energy: -102.981 flat angles C4'-P-C4' energy: -131.276 flat angles P-C4'-P energy: -73.554 tors. eta vs tors. theta energy: -105.315 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: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1210.776768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.776768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.776768 (E_RNA) where: Base-Base interactions energy: -752.765 where: short stacking energy: -359.060 Base-Backbone interact. energy: -0.090 local terms energy: -457.922400 where: bonds (distance) C4'-P energy: -111.029 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -97.969 flat angles P-C4'-P energy: -66.690 tors. eta vs tors. theta energy: -73.854 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: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -965.824799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.824799 (E_RNA) where: Base-Base interactions energy: -589.476 where: short stacking energy: -278.988 Base-Backbone interact. energy: 4.535 local terms energy: -380.884185 where: bonds (distance) C4'-P energy: -85.202 bonds (distance) P-C4' energy: -102.473 flat angles C4'-P-C4' energy: -121.535 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -23.548 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: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2394.355014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.355014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.355014 (E_RNA) where: Base-Base interactions energy: -1716.221 where: short stacking energy: -702.937 Base-Backbone interact. energy: -0.494 local terms energy: -677.639989 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -129.402 flat angles C4'-P-C4' energy: -153.983 flat angles P-C4'-P energy: -106.453 tors. eta vs tors. theta energy: -175.627 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: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2291.118167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.118167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.118167 (E_RNA) where: Base-Base interactions energy: -1608.211 where: short stacking energy: -674.395 Base-Backbone interact. energy: -0.898 local terms energy: -682.009155 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -129.698 flat angles C4'-P-C4' energy: -137.192 flat angles P-C4'-P energy: -88.977 tors. eta vs tors. theta energy: -195.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2254.448344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.448344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.448344 (E_RNA) where: Base-Base interactions energy: -1606.000 where: short stacking energy: -620.098 Base-Backbone interact. energy: -1.276 local terms energy: -647.172768 where: bonds (distance) C4'-P energy: -114.344 bonds (distance) P-C4' energy: -137.562 flat angles C4'-P-C4' energy: -127.934 flat angles P-C4'-P energy: -99.559 tors. eta vs tors. theta energy: -167.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2082.895731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.895731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.895731 (E_RNA) where: Base-Base interactions energy: -1445.810 where: short stacking energy: -601.078 Base-Backbone interact. energy: -0.939 local terms energy: -636.147210 where: bonds (distance) C4'-P energy: -128.863 bonds (distance) P-C4' energy: -116.743 flat angles C4'-P-C4' energy: -133.849 flat angles P-C4'-P energy: -89.983 tors. eta vs tors. theta energy: -166.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2024.306527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.306527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.306527 (E_RNA) where: Base-Base interactions energy: -1416.420 where: short stacking energy: -606.297 Base-Backbone interact. energy: -3.530 local terms energy: -604.356768 where: bonds (distance) C4'-P energy: -95.128 bonds (distance) P-C4' energy: -131.656 flat angles C4'-P-C4' energy: -137.705 flat angles P-C4'-P energy: -71.954 tors. eta vs tors. theta energy: -167.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1769.823094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.823094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.823094 (E_RNA) where: Base-Base interactions energy: -1206.288 where: short stacking energy: -532.273 Base-Backbone interact. energy: -1.431 local terms energy: -562.103742 where: bonds (distance) C4'-P energy: -109.816 bonds (distance) P-C4' energy: -102.227 flat angles C4'-P-C4' energy: -126.201 flat angles P-C4'-P energy: -81.927 tors. eta vs tors. theta energy: -141.932 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: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1749.227138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.227138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.227138 (E_RNA) where: Base-Base interactions energy: -1204.553 where: short stacking energy: -538.718 Base-Backbone interact. energy: -0.031 local terms energy: -544.642639 where: bonds (distance) C4'-P energy: -100.555 bonds (distance) P-C4' energy: -108.815 flat angles C4'-P-C4' energy: -122.310 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -134.939 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: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1563.010756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.010756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.010756 (E_RNA) where: Base-Base interactions energy: -1034.908 where: short stacking energy: -436.536 Base-Backbone interact. energy: -0.700 local terms energy: -527.402912 where: bonds (distance) C4'-P energy: -119.528 bonds (distance) P-C4' energy: -125.652 flat angles C4'-P-C4' energy: -111.956 flat angles P-C4'-P energy: -75.467 tors. eta vs tors. theta energy: -94.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1173.491267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.491267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.491267 (E_RNA) where: Base-Base interactions energy: -719.249 where: short stacking energy: -349.465 Base-Backbone interact. energy: 4.347 local terms energy: -458.589115 where: bonds (distance) C4'-P energy: -121.804 bonds (distance) P-C4' energy: -96.046 flat angles C4'-P-C4' energy: -104.580 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -57.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -940.947763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.947763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.947763 (E_RNA) where: Base-Base interactions energy: -569.902 where: short stacking energy: -274.833 Base-Backbone interact. energy: 3.827 local terms energy: -374.872679 where: bonds (distance) C4'-P energy: -77.633 bonds (distance) P-C4' energy: -126.233 flat angles C4'-P-C4' energy: -86.321 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -22.799 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: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2403.353859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.353859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.353859 (E_RNA) where: Base-Base interactions energy: -1716.591 where: short stacking energy: -705.409 Base-Backbone interact. energy: -5.061 local terms energy: -681.702165 where: bonds (distance) C4'-P energy: -134.517 bonds (distance) P-C4' energy: -118.054 flat angles C4'-P-C4' energy: -144.174 flat angles P-C4'-P energy: -107.295 tors. eta vs tors. theta energy: -177.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2307.102389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.102389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.102389 (E_RNA) where: Base-Base interactions energy: -1610.066 where: short stacking energy: -691.170 Base-Backbone interact. energy: -2.170 local terms energy: -694.866376 where: bonds (distance) C4'-P energy: -128.290 bonds (distance) P-C4' energy: -128.646 flat angles C4'-P-C4' energy: -147.400 flat angles P-C4'-P energy: -98.250 tors. eta vs tors. theta energy: -192.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2221.770902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.770902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.770902 (E_RNA) where: Base-Base interactions energy: -1564.541 where: short stacking energy: -622.946 Base-Backbone interact. energy: 1.875 local terms energy: -659.104636 where: bonds (distance) C4'-P energy: -120.118 bonds (distance) P-C4' energy: -132.417 flat angles C4'-P-C4' energy: -149.716 flat angles P-C4'-P energy: -81.896 tors. eta vs tors. theta energy: -174.959 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: 4, replica: 4 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2106.776915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.776915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.776915 (E_RNA) where: Base-Base interactions energy: -1477.686 where: short stacking energy: -609.363 Base-Backbone interact. energy: -3.247 local terms energy: -625.843839 where: bonds (distance) C4'-P energy: -117.757 bonds (distance) P-C4' energy: -125.130 flat angles C4'-P-C4' energy: -131.671 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -174.315 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: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2036.332728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.332728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.332728 (E_RNA) where: Base-Base interactions energy: -1443.691 where: short stacking energy: -608.801 Base-Backbone interact. energy: -0.212 local terms energy: -592.429873 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -127.021 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -163.880 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: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1794.522541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.522541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.522541 (E_RNA) where: Base-Base interactions energy: -1213.866 where: short stacking energy: -513.318 Base-Backbone interact. energy: 1.636 local terms energy: -582.292512 where: bonds (distance) C4'-P energy: -114.644 bonds (distance) P-C4' energy: -117.770 flat angles C4'-P-C4' energy: -122.269 flat angles P-C4'-P energy: -80.792 tors. eta vs tors. theta energy: -146.818 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1699.146363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.146363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.146363 (E_RNA) where: Base-Base interactions energy: -1139.062 where: short stacking energy: -504.340 Base-Backbone interact. energy: -6.356 local terms energy: -553.728218 where: bonds (distance) C4'-P energy: -111.431 bonds (distance) P-C4' energy: -116.471 flat angles C4'-P-C4' energy: -110.640 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -134.530 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: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1541.044892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.044892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.044892 (E_RNA) where: Base-Base interactions energy: -1036.177 where: short stacking energy: -417.208 Base-Backbone interact. energy: 1.137 local terms energy: -506.004333 where: bonds (distance) C4'-P energy: -115.097 bonds (distance) P-C4' energy: -111.156 flat angles C4'-P-C4' energy: -114.793 flat angles P-C4'-P energy: -69.744 tors. eta vs tors. theta energy: -95.214 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: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1182.102143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.102143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.102143 (E_RNA) where: Base-Base interactions energy: -754.191 where: short stacking energy: -376.001 Base-Backbone interact. energy: -0.694 local terms energy: -427.217190 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -112.340 flat angles C4'-P-C4' energy: -111.021 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -66.420 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: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -963.011289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.011289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.011289 (E_RNA) where: Base-Base interactions energy: -626.767 where: short stacking energy: -297.326 Base-Backbone interact. energy: 3.388 local terms energy: -339.632464 where: bonds (distance) C4'-P energy: -82.510 bonds (distance) P-C4' energy: -110.659 flat angles C4'-P-C4' energy: -77.351 flat angles P-C4'-P energy: -33.672 tors. eta vs tors. theta energy: -35.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2388.042924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.042924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.042924 (E_RNA) where: Base-Base interactions energy: -1697.958 where: short stacking energy: -682.251 Base-Backbone interact. energy: -3.942 local terms energy: -686.143126 where: bonds (distance) C4'-P energy: -125.896 bonds (distance) P-C4' energy: -134.451 flat angles C4'-P-C4' energy: -147.092 flat angles P-C4'-P energy: -105.266 tors. eta vs tors. theta energy: -173.438 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: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2322.518257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.518257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.518257 (E_RNA) where: Base-Base interactions energy: -1663.636 where: short stacking energy: -680.924 Base-Backbone interact. energy: -1.678 local terms energy: -657.204037 where: bonds (distance) C4'-P energy: -122.848 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -146.982 flat angles P-C4'-P energy: -87.726 tors. eta vs tors. theta energy: -187.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2218.998557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.998557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.998557 (E_RNA) where: Base-Base interactions energy: -1554.561 where: short stacking energy: -627.650 Base-Backbone interact. energy: -1.671 local terms energy: -662.766846 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -123.530 flat angles C4'-P-C4' energy: -151.837 flat angles P-C4'-P energy: -76.622 tors. eta vs tors. theta energy: -183.614 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: 200 Temperature: 1.050000 Total energy: -2104.304905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.304905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.304905 (E_RNA) where: Base-Base interactions energy: -1461.181 where: short stacking energy: -613.458 Base-Backbone interact. energy: 2.721 local terms energy: -645.845113 where: bonds (distance) C4'-P energy: -118.355 bonds (distance) P-C4' energy: -123.343 flat angles C4'-P-C4' energy: -134.529 flat angles P-C4'-P energy: -97.905 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: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1994.436327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.436327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.436327 (E_RNA) where: Base-Base interactions energy: -1384.325 where: short stacking energy: -588.942 Base-Backbone interact. energy: -4.574 local terms energy: -605.537212 where: bonds (distance) C4'-P energy: -106.786 bonds (distance) P-C4' energy: -124.311 flat angles C4'-P-C4' energy: -135.663 flat angles P-C4'-P energy: -72.950 tors. eta vs tors. theta energy: -165.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1770.430915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.430915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.430915 (E_RNA) where: Base-Base interactions energy: -1187.373 where: short stacking energy: -507.944 Base-Backbone interact. energy: 3.579 local terms energy: -586.636918 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -123.748 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -88.922 tors. eta vs tors. theta energy: -132.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1734.734951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.734951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.734951 (E_RNA) where: Base-Base interactions energy: -1162.527 where: short stacking energy: -508.922 Base-Backbone interact. energy: -2.620 local terms energy: -569.587533 where: bonds (distance) C4'-P energy: -110.169 bonds (distance) P-C4' energy: -106.925 flat angles C4'-P-C4' energy: -130.688 flat angles P-C4'-P energy: -95.210 tors. eta vs tors. theta energy: -126.597 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: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1524.914245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.914245 (E_RNA) where: Base-Base interactions energy: -1026.658 where: short stacking energy: -429.057 Base-Backbone interact. energy: 0.355 local terms energy: -498.610774 where: bonds (distance) C4'-P energy: -101.624 bonds (distance) P-C4' energy: -119.590 flat angles C4'-P-C4' energy: -116.222 flat angles P-C4'-P energy: -80.259 tors. eta vs tors. theta energy: -80.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1119.242769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.242769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.242769 (E_RNA) where: Base-Base interactions energy: -700.624 where: short stacking energy: -330.601 Base-Backbone interact. energy: -1.811 local terms energy: -416.808352 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -116.430 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -40.092 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: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -911.315390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.315390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.315390 (E_RNA) where: Base-Base interactions energy: -543.277 where: short stacking energy: -265.098 Base-Backbone interact. energy: 4.433 local terms energy: -372.471295 where: bonds (distance) C4'-P energy: -102.782 bonds (distance) P-C4' energy: -89.835 flat angles C4'-P-C4' energy: -102.903 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -22.659 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: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2428.394896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.394896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.394896 (E_RNA) where: Base-Base interactions energy: -1698.279 where: short stacking energy: -708.254 Base-Backbone interact. energy: -1.801 local terms energy: -728.315121 where: bonds (distance) C4'-P energy: -142.074 bonds (distance) P-C4' energy: -138.078 flat angles C4'-P-C4' energy: -153.957 flat angles P-C4'-P energy: -112.912 tors. eta vs tors. theta energy: -181.295 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: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2305.646048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.646048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.646048 (E_RNA) where: Base-Base interactions energy: -1646.832 where: short stacking energy: -685.825 Base-Backbone interact. energy: -0.558 local terms energy: -658.256498 where: bonds (distance) C4'-P energy: -127.105 bonds (distance) P-C4' energy: -115.525 flat angles C4'-P-C4' energy: -148.000 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -177.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2200.707434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.707434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.707434 (E_RNA) where: Base-Base interactions energy: -1564.001 where: short stacking energy: -625.822 Base-Backbone interact. energy: 7.801 local terms energy: -644.507586 where: bonds (distance) C4'-P energy: -126.522 bonds (distance) P-C4' energy: -120.095 flat angles C4'-P-C4' energy: -133.042 flat angles P-C4'-P energy: -92.970 tors. eta vs tors. theta energy: -171.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2095.109683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.109683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.109683 (E_RNA) where: Base-Base interactions energy: -1445.374 where: short stacking energy: -623.983 Base-Backbone interact. energy: -0.105 local terms energy: -649.630984 where: bonds (distance) C4'-P energy: -113.137 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -140.137 flat angles P-C4'-P energy: -92.652 tors. eta vs tors. theta energy: -172.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1957.011013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.011013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.011013 (E_RNA) where: Base-Base interactions energy: -1366.153 where: short stacking energy: -527.952 Base-Backbone interact. energy: 0.033 local terms energy: -590.890504 where: bonds (distance) C4'-P energy: -118.257 bonds (distance) P-C4' energy: -129.978 flat angles C4'-P-C4' energy: -121.572 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -138.798 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: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1836.434188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.434188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.434188 (E_RNA) where: Base-Base interactions energy: -1256.063 where: short stacking energy: -543.922 Base-Backbone interact. energy: -1.432 local terms energy: -578.939249 where: bonds (distance) C4'-P energy: -102.772 bonds (distance) P-C4' energy: -112.677 flat angles C4'-P-C4' energy: -123.663 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -143.183 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: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1732.963594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.963594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.963594 (E_RNA) where: Base-Base interactions energy: -1192.330 where: short stacking energy: -496.258 Base-Backbone interact. energy: -1.287 local terms energy: -539.346546 where: bonds (distance) C4'-P energy: -103.361 bonds (distance) P-C4' energy: -103.759 flat angles C4'-P-C4' energy: -127.785 flat angles P-C4'-P energy: -82.648 tors. eta vs tors. theta energy: -121.793 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: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1539.227589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.227589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.227589 (E_RNA) where: Base-Base interactions energy: -1058.333 where: short stacking energy: -457.286 Base-Backbone interact. energy: -1.413 local terms energy: -479.481011 where: bonds (distance) C4'-P energy: -92.061 bonds (distance) P-C4' energy: -115.306 flat angles C4'-P-C4' energy: -111.192 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -109.804 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: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1071.526795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.526795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.526795 (E_RNA) where: Base-Base interactions energy: -663.413 where: short stacking energy: -328.893 Base-Backbone interact. energy: -2.561 local terms energy: -405.553162 where: bonds (distance) C4'-P energy: -103.471 bonds (distance) P-C4' energy: -113.064 flat angles C4'-P-C4' energy: -94.964 flat angles P-C4'-P energy: -47.026 tors. eta vs tors. theta energy: -47.028 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: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1006.434426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.434426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.434426 (E_RNA) where: Base-Base interactions energy: -622.502 where: short stacking energy: -286.378 Base-Backbone interact. energy: 2.090 local terms energy: -386.021717 where: bonds (distance) C4'-P energy: -101.468 bonds (distance) P-C4' energy: -114.895 flat angles C4'-P-C4' energy: -84.255 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -33.870 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: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2410.056667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.056667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.056667 (E_RNA) where: Base-Base interactions energy: -1689.825 where: short stacking energy: -680.674 Base-Backbone interact. energy: -1.105 local terms energy: -719.127019 where: bonds (distance) C4'-P energy: -138.371 bonds (distance) P-C4' energy: -126.981 flat angles C4'-P-C4' energy: -151.535 flat angles P-C4'-P energy: -120.045 tors. eta vs tors. theta energy: -182.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2322.342320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.342320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.342320 (E_RNA) where: Base-Base interactions energy: -1650.768 where: short stacking energy: -666.827 Base-Backbone interact. energy: -3.353 local terms energy: -668.221283 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -138.739 flat angles C4'-P-C4' energy: -145.632 flat angles P-C4'-P energy: -92.819 tors. eta vs tors. theta energy: -170.675 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: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2188.295895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.295895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.295895 (E_RNA) where: Base-Base interactions energy: -1558.832 where: short stacking energy: -634.941 Base-Backbone interact. energy: 1.360 local terms energy: -630.823279 where: bonds (distance) C4'-P energy: -118.592 bonds (distance) P-C4' energy: -113.088 flat angles C4'-P-C4' energy: -143.926 flat angles P-C4'-P energy: -86.884 tors. eta vs tors. theta energy: -168.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2104.879792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.879792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.879792 (E_RNA) where: Base-Base interactions energy: -1488.531 where: short stacking energy: -627.711 Base-Backbone interact. energy: -3.299 local terms energy: -613.049587 where: bonds (distance) C4'-P energy: -97.583 bonds (distance) P-C4' energy: -117.231 flat angles C4'-P-C4' energy: -136.001 flat angles P-C4'-P energy: -88.584 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: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2001.109270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.109270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.109270 (E_RNA) where: Base-Base interactions energy: -1408.565 where: short stacking energy: -591.199 Base-Backbone interact. energy: 0.884 local terms energy: -593.428411 where: bonds (distance) C4'-P energy: -118.538 bonds (distance) P-C4' energy: -122.388 flat angles C4'-P-C4' energy: -131.657 flat angles P-C4'-P energy: -65.912 tors. eta vs tors. theta energy: -154.933 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: 6, replica: 8 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1742.476965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.476965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.476965 (E_RNA) where: Base-Base interactions energy: -1186.393 where: short stacking energy: -513.862 Base-Backbone interact. energy: -3.977 local terms energy: -552.106059 where: bonds (distance) C4'-P energy: -108.962 bonds (distance) P-C4' energy: -105.901 flat angles C4'-P-C4' energy: -130.002 flat angles P-C4'-P energy: -82.006 tors. eta vs tors. theta energy: -125.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1714.279191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.279191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.279191 (E_RNA) where: Base-Base interactions energy: -1147.912 where: short stacking energy: -489.569 Base-Backbone interact. energy: -2.342 local terms energy: -564.025941 where: bonds (distance) C4'-P energy: -128.529 bonds (distance) P-C4' energy: -128.218 flat angles C4'-P-C4' energy: -125.723 flat angles P-C4'-P energy: -65.904 tors. eta vs tors. theta energy: -115.652 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: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1522.118542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.118542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.118542 (E_RNA) where: Base-Base interactions energy: -1023.641 where: short stacking energy: -430.153 Base-Backbone interact. energy: -2.448 local terms energy: -496.029215 where: bonds (distance) C4'-P energy: -111.888 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -103.129 flat angles P-C4'-P energy: -72.499 tors. eta vs tors. theta energy: -101.306 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: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1072.404319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.404319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.404319 (E_RNA) where: Base-Base interactions energy: -640.495 where: short stacking energy: -324.919 Base-Backbone interact. energy: -1.209 local terms energy: -430.700739 where: bonds (distance) C4'-P energy: -99.730 bonds (distance) P-C4' energy: -119.726 flat angles C4'-P-C4' energy: -92.983 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -57.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1010.546786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.546786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.546786 (E_RNA) where: Base-Base interactions energy: -609.302 where: short stacking energy: -318.382 Base-Backbone interact. energy: 0.774 local terms energy: -402.018889 where: bonds (distance) C4'-P energy: -102.033 bonds (distance) P-C4' energy: -114.566 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: -47.451 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: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2370.362758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.362758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.362758 (E_RNA) where: Base-Base interactions energy: -1677.011 where: short stacking energy: -674.267 Base-Backbone interact. energy: -6.051 local terms energy: -687.300409 where: bonds (distance) C4'-P energy: -134.799 bonds (distance) P-C4' energy: -135.889 flat angles C4'-P-C4' energy: -151.832 flat angles P-C4'-P energy: -96.345 tors. eta vs tors. theta energy: -168.435 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: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2319.479457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.479457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.479457 (E_RNA) where: Base-Base interactions energy: -1638.563 where: short stacking energy: -680.599 Base-Backbone interact. energy: -0.591 local terms energy: -680.326095 where: bonds (distance) C4'-P energy: -135.617 bonds (distance) P-C4' energy: -118.383 flat angles C4'-P-C4' energy: -152.929 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -190.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2231.023503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.023503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.023503 (E_RNA) where: Base-Base interactions energy: -1561.693 where: short stacking energy: -634.716 Base-Backbone interact. energy: -1.507 local terms energy: -667.823125 where: bonds (distance) C4'-P energy: -110.938 bonds (distance) P-C4' energy: -142.529 flat angles C4'-P-C4' energy: -148.137 flat angles P-C4'-P energy: -93.659 tors. eta vs tors. theta energy: -172.559 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: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2069.853478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.853478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.853478 (E_RNA) where: Base-Base interactions energy: -1442.085 where: short stacking energy: -606.372 Base-Backbone interact. energy: 1.355 local terms energy: -629.123986 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -115.389 flat angles C4'-P-C4' energy: -141.298 flat angles P-C4'-P energy: -87.905 tors. eta vs tors. theta energy: -164.801 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: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2017.967742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.967742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.967742 (E_RNA) where: Base-Base interactions energy: -1434.812 where: short stacking energy: -592.734 Base-Backbone interact. energy: -3.042 local terms energy: -580.114378 where: bonds (distance) C4'-P energy: -106.522 bonds (distance) P-C4' energy: -117.873 flat angles C4'-P-C4' energy: -122.622 flat angles P-C4'-P energy: -81.195 tors. eta vs tors. theta energy: -151.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1728.425576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.425576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.425576 (E_RNA) where: Base-Base interactions energy: -1184.106 where: short stacking energy: -523.003 Base-Backbone interact. energy: 1.629 local terms energy: -545.948705 where: bonds (distance) C4'-P energy: -111.156 bonds (distance) P-C4' energy: -113.568 flat angles C4'-P-C4' energy: -120.202 flat angles P-C4'-P energy: -71.895 tors. eta vs tors. theta energy: -129.126 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: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1758.383121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.383121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.383121 (E_RNA) where: Base-Base interactions energy: -1214.995 where: short stacking energy: -505.507 Base-Backbone interact. energy: -2.475 local terms energy: -540.912498 where: bonds (distance) C4'-P energy: -90.236 bonds (distance) P-C4' energy: -123.013 flat angles C4'-P-C4' energy: -126.045 flat angles P-C4'-P energy: -75.419 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: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1452.595853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.595853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.595853 (E_RNA) where: Base-Base interactions energy: -983.353 where: short stacking energy: -443.193 Base-Backbone interact. energy: -1.269 local terms energy: -467.973854 where: bonds (distance) C4'-P energy: -95.937 bonds (distance) P-C4' energy: -106.622 flat angles C4'-P-C4' energy: -113.992 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -85.549 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: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1061.986542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.986542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.986542 (E_RNA) where: Base-Base interactions energy: -626.844 where: short stacking energy: -299.706 Base-Backbone interact. energy: -0.471 local terms energy: -434.671651 where: bonds (distance) C4'-P energy: -110.167 bonds (distance) P-C4' energy: -123.777 flat angles C4'-P-C4' energy: -112.892 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -32.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1034.942089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.942089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.942089 (E_RNA) where: Base-Base interactions energy: -639.582 where: short stacking energy: -301.595 Base-Backbone interact. energy: 4.159 local terms energy: -399.518793 where: bonds (distance) C4'-P energy: -96.393 bonds (distance) P-C4' energy: -95.995 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -72.496 tors. eta vs tors. theta energy: -29.731 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: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2396.297325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.297325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.297325 (E_RNA) where: Base-Base interactions energy: -1721.091 where: short stacking energy: -684.741 Base-Backbone interact. energy: -4.036 local terms energy: -671.170305 where: bonds (distance) C4'-P energy: -131.338 bonds (distance) P-C4' energy: -111.483 flat angles C4'-P-C4' energy: -152.751 flat angles P-C4'-P energy: -95.294 tors. eta vs tors. theta energy: -180.304 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: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2291.130474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.130474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.130474 (E_RNA) where: Base-Base interactions energy: -1623.315 where: short stacking energy: -683.053 Base-Backbone interact. energy: -2.158 local terms energy: -665.656586 where: bonds (distance) C4'-P energy: -132.506 bonds (distance) P-C4' energy: -129.754 flat angles C4'-P-C4' energy: -139.358 flat angles P-C4'-P energy: -83.885 tors. eta vs tors. theta energy: -180.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2201.615055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.615055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.615055 (E_RNA) where: Base-Base interactions energy: -1566.467 where: short stacking energy: -631.194 Base-Backbone interact. energy: 0.725 local terms energy: -635.873201 where: bonds (distance) C4'-P energy: -119.572 bonds (distance) P-C4' energy: -121.745 flat angles C4'-P-C4' energy: -129.020 flat angles P-C4'-P energy: -97.948 tors. eta vs tors. theta energy: -167.588 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: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2141.724385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.724385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.724385 (E_RNA) where: Base-Base interactions energy: -1477.303 where: short stacking energy: -601.908 Base-Backbone interact. energy: -0.687 local terms energy: -663.735195 where: bonds (distance) C4'-P energy: -130.890 bonds (distance) P-C4' energy: -136.859 flat angles C4'-P-C4' energy: -133.663 flat angles P-C4'-P energy: -94.631 tors. eta vs tors. theta energy: -167.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2012.299168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.299168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.299168 (E_RNA) where: Base-Base interactions energy: -1398.891 where: short stacking energy: -568.862 Base-Backbone interact. energy: -3.104 local terms energy: -610.304232 where: bonds (distance) C4'-P energy: -118.397 bonds (distance) P-C4' energy: -120.987 flat angles C4'-P-C4' energy: -136.039 flat angles P-C4'-P energy: -81.432 tors. eta vs tors. theta energy: -153.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1700.755615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.755615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.755615 (E_RNA) where: Base-Base interactions energy: -1172.686 where: short stacking energy: -487.723 Base-Backbone interact. energy: 0.474 local terms energy: -528.543867 where: bonds (distance) C4'-P energy: -87.675 bonds (distance) P-C4' energy: -124.173 flat angles C4'-P-C4' energy: -125.556 flat angles P-C4'-P energy: -78.073 tors. eta vs tors. theta energy: -113.068 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: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1788.773800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.773800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.773800 (E_RNA) where: Base-Base interactions energy: -1220.463 where: short stacking energy: -545.878 Base-Backbone interact. energy: -2.522 local terms energy: -565.789002 where: bonds (distance) C4'-P energy: -102.707 bonds (distance) P-C4' energy: -121.865 flat angles C4'-P-C4' energy: -131.083 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -138.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1515.521486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.521486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.521486 (E_RNA) where: Base-Base interactions energy: -1029.522 where: short stacking energy: -433.320 Base-Backbone interact. energy: -2.946 local terms energy: -483.053875 where: bonds (distance) C4'-P energy: -113.335 bonds (distance) P-C4' energy: -100.755 flat angles C4'-P-C4' energy: -107.804 flat angles P-C4'-P energy: -70.235 tors. eta vs tors. theta energy: -90.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1029.190486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.190486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.190486 (E_RNA) where: Base-Base interactions energy: -629.312 where: short stacking energy: -269.245 Base-Backbone interact. energy: -0.685 local terms energy: -399.193350 where: bonds (distance) C4'-P energy: -105.246 bonds (distance) P-C4' energy: -118.492 flat angles C4'-P-C4' energy: -86.623 flat angles P-C4'-P energy: -42.657 tors. eta vs tors. theta energy: -46.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1044.668692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.668692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.668692 (E_RNA) where: Base-Base interactions energy: -635.329 where: short stacking energy: -306.220 Base-Backbone interact. energy: 0.026 local terms energy: -409.366076 where: bonds (distance) C4'-P energy: -94.397 bonds (distance) P-C4' energy: -103.360 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -53.620 tors. eta vs tors. theta energy: -48.338 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: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2402.273488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.273488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.273488 (E_RNA) where: Base-Base interactions energy: -1735.323 where: short stacking energy: -692.532 Base-Backbone interact. energy: -5.082 local terms energy: -661.868267 where: bonds (distance) C4'-P energy: -123.125 bonds (distance) P-C4' energy: -120.520 flat angles C4'-P-C4' energy: -150.702 flat angles P-C4'-P energy: -101.514 tors. eta vs tors. theta energy: -166.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2303.177507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.177507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.177507 (E_RNA) where: Base-Base interactions energy: -1636.847 where: short stacking energy: -675.499 Base-Backbone interact. energy: -5.187 local terms energy: -661.143370 where: bonds (distance) C4'-P energy: -119.765 bonds (distance) P-C4' energy: -126.519 flat angles C4'-P-C4' energy: -136.855 flat angles P-C4'-P energy: -95.484 tors. eta vs tors. theta energy: -182.519 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: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2201.898180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.898180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.898180 (E_RNA) where: Base-Base interactions energy: -1556.619 where: short stacking energy: -629.306 Base-Backbone interact. energy: 1.463 local terms energy: -646.741673 where: bonds (distance) C4'-P energy: -127.637 bonds (distance) P-C4' energy: -118.254 flat angles C4'-P-C4' energy: -134.407 flat angles P-C4'-P energy: -88.886 tors. eta vs tors. theta energy: -177.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2114.920504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.920504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.920504 (E_RNA) where: Base-Base interactions energy: -1475.624 where: short stacking energy: -632.450 Base-Backbone interact. energy: -1.161 local terms energy: -638.134812 where: bonds (distance) C4'-P energy: -116.013 bonds (distance) P-C4' energy: -126.012 flat angles C4'-P-C4' energy: -134.313 flat angles P-C4'-P energy: -97.234 tors. eta vs tors. theta energy: -164.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1998.047893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.047893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.047893 (E_RNA) where: Base-Base interactions energy: -1390.621 where: short stacking energy: -575.173 Base-Backbone interact. energy: -2.133 local terms energy: -605.293763 where: bonds (distance) C4'-P energy: -119.761 bonds (distance) P-C4' energy: -122.366 flat angles C4'-P-C4' energy: -127.095 flat angles P-C4'-P energy: -89.280 tors. eta vs tors. theta energy: -146.791 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: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1821.846633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.846633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.846633 (E_RNA) where: Base-Base interactions energy: -1231.025 where: short stacking energy: -512.386 Base-Backbone interact. energy: 0.110 local terms energy: -590.931619 where: bonds (distance) C4'-P energy: -115.986 bonds (distance) P-C4' energy: -125.786 flat angles C4'-P-C4' energy: -128.634 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -147.422 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: 205 Temperature: 1.200000 Total energy: -1719.305615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.305615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.305615 (E_RNA) where: Base-Base interactions energy: -1176.499 where: short stacking energy: -509.752 Base-Backbone interact. energy: -1.198 local terms energy: -541.608568 where: bonds (distance) C4'-P energy: -108.861 bonds (distance) P-C4' energy: -108.838 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -64.945 tors. eta vs tors. theta energy: -125.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1506.825112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.825112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.825112 (E_RNA) where: Base-Base interactions energy: -1021.767 where: short stacking energy: -425.819 Base-Backbone interact. energy: -0.563 local terms energy: -484.495200 where: bonds (distance) C4'-P energy: -95.696 bonds (distance) P-C4' energy: -114.610 flat angles C4'-P-C4' energy: -118.168 flat angles P-C4'-P energy: -64.175 tors. eta vs tors. theta energy: -91.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1094.503296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.503296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.503296 (E_RNA) where: Base-Base interactions energy: -677.864 where: short stacking energy: -325.777 Base-Backbone interact. energy: -2.231 local terms energy: -414.408619 where: bonds (distance) C4'-P energy: -101.034 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -99.769 flat angles P-C4'-P energy: -74.299 tors. eta vs tors. theta energy: -49.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -942.397928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.397928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.397928 (E_RNA) where: Base-Base interactions energy: -539.978 where: short stacking energy: -271.485 Base-Backbone interact. energy: 4.433 local terms energy: -406.852746 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -107.356 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -20.921 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: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2428.029125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.029125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.029125 (E_RNA) where: Base-Base interactions energy: -1726.626 where: short stacking energy: -677.790 Base-Backbone interact. energy: -0.723 local terms energy: -700.680260 where: bonds (distance) C4'-P energy: -140.576 bonds (distance) P-C4' energy: -135.380 flat angles C4'-P-C4' energy: -149.170 flat angles P-C4'-P energy: -105.853 tors. eta vs tors. theta energy: -169.701 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: 206 Temperature: 0.950000 Total energy: -2302.411418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.411418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.411418 (E_RNA) where: Base-Base interactions energy: -1618.318 where: short stacking energy: -687.191 Base-Backbone interact. energy: -3.022 local terms energy: -681.070618 where: bonds (distance) C4'-P energy: -124.235 bonds (distance) P-C4' energy: -120.928 flat angles C4'-P-C4' energy: -151.022 flat angles P-C4'-P energy: -97.404 tors. eta vs tors. theta energy: -187.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2185.430728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.430728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.430728 (E_RNA) where: Base-Base interactions energy: -1534.967 where: short stacking energy: -621.798 Base-Backbone interact. energy: 0.812 local terms energy: -651.275335 where: bonds (distance) C4'-P energy: -130.002 bonds (distance) P-C4' energy: -127.996 flat angles C4'-P-C4' energy: -133.582 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -163.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2063.114470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.114470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.114470 (E_RNA) where: Base-Base interactions energy: -1442.271 where: short stacking energy: -589.363 Base-Backbone interact. energy: 0.712 local terms energy: -621.555032 where: bonds (distance) C4'-P energy: -126.248 bonds (distance) P-C4' energy: -119.848 flat angles C4'-P-C4' energy: -128.229 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -156.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2023.868728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.868728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.868728 (E_RNA) where: Base-Base interactions energy: -1437.843 where: short stacking energy: -592.891 Base-Backbone interact. energy: -3.884 local terms energy: -582.141669 where: bonds (distance) C4'-P energy: -111.283 bonds (distance) P-C4' energy: -101.943 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -87.011 tors. eta vs tors. theta energy: -152.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1772.488555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.488555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.488555 (E_RNA) where: Base-Base interactions energy: -1222.804 where: short stacking energy: -542.057 Base-Backbone interact. energy: -3.181 local terms energy: -546.503273 where: bonds (distance) C4'-P energy: -100.082 bonds (distance) P-C4' energy: -125.915 flat angles C4'-P-C4' energy: -134.145 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -121.399 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: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1673.891171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.891171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.891171 (E_RNA) where: Base-Base interactions energy: -1160.477 where: short stacking energy: -499.119 Base-Backbone interact. energy: -0.967 local terms energy: -512.447323 where: bonds (distance) C4'-P energy: -100.868 bonds (distance) P-C4' energy: -119.235 flat angles C4'-P-C4' energy: -116.863 flat angles P-C4'-P energy: -50.288 tors. eta vs tors. theta energy: -125.194 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: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1551.744012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.744012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.744012 (E_RNA) where: Base-Base interactions energy: -1065.197 where: short stacking energy: -463.501 Base-Backbone interact. energy: -1.288 local terms energy: -485.258494 where: bonds (distance) C4'-P energy: -94.544 bonds (distance) P-C4' energy: -107.847 flat angles C4'-P-C4' energy: -118.382 flat angles P-C4'-P energy: -71.200 tors. eta vs tors. theta energy: -93.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1070.824307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.824307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.824307 (E_RNA) where: Base-Base interactions energy: -655.603 where: short stacking energy: -331.425 Base-Backbone interact. energy: -1.096 local terms energy: -414.124951 where: bonds (distance) C4'-P energy: -111.951 bonds (distance) P-C4' energy: -101.352 flat angles C4'-P-C4' energy: -97.618 flat angles P-C4'-P energy: -59.237 tors. eta vs tors. theta energy: -43.966 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: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -959.865836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.865836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.865836 (E_RNA) where: Base-Base interactions energy: -564.197 where: short stacking energy: -274.821 Base-Backbone interact. energy: -0.037 local terms energy: -395.632070 where: bonds (distance) C4'-P energy: -98.585 bonds (distance) P-C4' energy: -114.019 flat angles C4'-P-C4' energy: -99.749 flat angles P-C4'-P energy: -50.256 tors. eta vs tors. theta energy: -33.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2393.812565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.812565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.812565 (E_RNA) where: Base-Base interactions energy: -1717.784 where: short stacking energy: -675.882 Base-Backbone interact. energy: -5.850 local terms energy: -670.178574 where: bonds (distance) C4'-P energy: -123.297 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -147.092 flat angles P-C4'-P energy: -94.714 tors. eta vs tors. theta energy: -176.820 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: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2346.594732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.594732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.594732 (E_RNA) where: Base-Base interactions energy: -1643.259 where: short stacking energy: -671.211 Base-Backbone interact. energy: 0.710 local terms energy: -704.046076 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -129.390 flat angles C4'-P-C4' energy: -157.014 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -196.881 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: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2200.610514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.610514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.610514 (E_RNA) where: Base-Base interactions energy: -1578.020 where: short stacking energy: -647.874 Base-Backbone interact. energy: -0.548 local terms energy: -622.041883 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -131.735 flat angles C4'-P-C4' energy: -140.106 flat angles P-C4'-P energy: -88.474 tors. eta vs tors. theta energy: -172.265 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: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2108.882339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.882339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.882339 (E_RNA) where: Base-Base interactions energy: -1493.408 where: short stacking energy: -595.328 Base-Backbone interact. energy: 8.480 local terms energy: -623.954346 where: bonds (distance) C4'-P energy: -123.532 bonds (distance) P-C4' energy: -123.893 flat angles C4'-P-C4' energy: -133.904 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -151.444 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: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2091.122818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.122818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.122818 (E_RNA) where: Base-Base interactions energy: -1459.701 where: short stacking energy: -619.060 Base-Backbone interact. energy: 0.837 local terms energy: -632.259436 where: bonds (distance) C4'-P energy: -117.941 bonds (distance) P-C4' energy: -126.584 flat angles C4'-P-C4' energy: -137.905 flat angles P-C4'-P energy: -84.516 tors. eta vs tors. theta energy: -165.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1764.450179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.450179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.450179 (E_RNA) where: Base-Base interactions energy: -1205.011 where: short stacking energy: -506.537 Base-Backbone interact. energy: -2.281 local terms energy: -557.158657 where: bonds (distance) C4'-P energy: -117.135 bonds (distance) P-C4' energy: -121.116 flat angles C4'-P-C4' energy: -118.588 flat angles P-C4'-P energy: -75.404 tors. eta vs tors. theta energy: -124.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1679.662349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.662349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.662349 (E_RNA) where: Base-Base interactions energy: -1147.913 where: short stacking energy: -492.178 Base-Backbone interact. energy: -1.611 local terms energy: -530.138645 where: bonds (distance) C4'-P energy: -98.986 bonds (distance) P-C4' energy: -105.475 flat angles C4'-P-C4' energy: -127.995 flat angles P-C4'-P energy: -74.184 tors. eta vs tors. theta energy: -123.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1474.783512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.783512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.783512 (E_RNA) where: Base-Base interactions energy: -952.232 where: short stacking energy: -400.807 Base-Backbone interact. energy: -0.216 local terms energy: -522.335753 where: bonds (distance) C4'-P energy: -117.730 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -77.328 tors. eta vs tors. theta energy: -88.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1158.759613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.759613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.759613 (E_RNA) where: Base-Base interactions energy: -741.623 where: short stacking energy: -357.080 Base-Backbone interact. energy: 5.173 local terms energy: -422.309808 where: bonds (distance) C4'-P energy: -107.750 bonds (distance) P-C4' energy: -97.192 flat angles C4'-P-C4' energy: -100.228 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: -63.759 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: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -946.669855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.669855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.669855 (E_RNA) where: Base-Base interactions energy: -539.114 where: short stacking energy: -278.888 Base-Backbone interact. energy: 1.764 local terms energy: -409.320533 where: bonds (distance) C4'-P energy: -102.969 bonds (distance) P-C4' energy: -123.899 flat angles C4'-P-C4' energy: -95.811 flat angles P-C4'-P energy: -64.624 tors. eta vs tors. theta energy: -22.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2406.926335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.926335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.926335 (E_RNA) where: Base-Base interactions energy: -1707.728 where: short stacking energy: -676.673 Base-Backbone interact. energy: -0.501 local terms energy: -698.696503 where: bonds (distance) C4'-P energy: -134.115 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -151.586 flat angles P-C4'-P energy: -120.087 tors. eta vs tors. theta energy: -167.052 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: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2337.739228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.739228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.739228 (E_RNA) where: Base-Base interactions energy: -1650.835 where: short stacking energy: -680.864 Base-Backbone interact. energy: -2.221 local terms energy: -684.683174 where: bonds (distance) C4'-P energy: -119.933 bonds (distance) P-C4' energy: -119.626 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -105.050 tors. eta vs tors. theta energy: -188.494 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: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2198.699198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.699198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.699198 (E_RNA) where: Base-Base interactions energy: -1549.781 where: short stacking energy: -635.900 Base-Backbone interact. energy: -1.561 local terms energy: -647.357240 where: bonds (distance) C4'-P energy: -137.332 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -143.863 flat angles P-C4'-P energy: -80.768 tors. eta vs tors. theta energy: -169.790 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: 208 Temperature: 1.050000 Total energy: -2090.878079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.878079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.878079 (E_RNA) where: Base-Base interactions energy: -1468.221 where: short stacking energy: -622.724 Base-Backbone interact. energy: -3.956 local terms energy: -618.701262 where: bonds (distance) C4'-P energy: -118.264 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -141.839 flat angles P-C4'-P energy: -81.606 tors. eta vs tors. theta energy: -165.158 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: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2051.124259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.124259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.124259 (E_RNA) where: Base-Base interactions energy: -1423.245 where: short stacking energy: -628.895 Base-Backbone interact. energy: -1.028 local terms energy: -626.851361 where: bonds (distance) C4'-P energy: -105.715 bonds (distance) P-C4' energy: -127.862 flat angles C4'-P-C4' energy: -137.522 flat angles P-C4'-P energy: -88.322 tors. eta vs tors. theta energy: -167.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1764.706518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.706518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.706518 (E_RNA) where: Base-Base interactions energy: -1194.909 where: short stacking energy: -524.510 Base-Backbone interact. energy: 0.499 local terms energy: -570.296097 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -108.895 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -75.570 tors. eta vs tors. theta energy: -139.168 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: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1698.920136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.920136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.920136 (E_RNA) where: Base-Base interactions energy: -1151.321 where: short stacking energy: -500.432 Base-Backbone interact. energy: -0.972 local terms energy: -546.627015 where: bonds (distance) C4'-P energy: -106.913 bonds (distance) P-C4' energy: -99.303 flat angles C4'-P-C4' energy: -125.595 flat angles P-C4'-P energy: -77.537 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: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1445.408953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.408953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.408953 (E_RNA) where: Base-Base interactions energy: -935.509 where: short stacking energy: -419.701 Base-Backbone interact. energy: 0.447 local terms energy: -510.347079 where: bonds (distance) C4'-P energy: -121.499 bonds (distance) P-C4' energy: -119.247 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -65.567 tors. eta vs tors. theta energy: -87.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1155.746874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.746874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.746874 (E_RNA) where: Base-Base interactions energy: -720.660 where: short stacking energy: -340.572 Base-Backbone interact. energy: -0.082 local terms energy: -435.004668 where: bonds (distance) C4'-P energy: -117.351 bonds (distance) P-C4' energy: -104.632 flat angles C4'-P-C4' energy: -78.476 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -52.619 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: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -841.754377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.754377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.754377 (E_RNA) where: Base-Base interactions energy: -428.343 where: short stacking energy: -221.642 Base-Backbone interact. energy: -3.010 local terms energy: -410.401798 where: bonds (distance) C4'-P energy: -119.600 bonds (distance) P-C4' energy: -111.856 flat angles C4'-P-C4' energy: -101.150 flat angles P-C4'-P energy: -61.030 tors. eta vs tors. theta energy: -16.767 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: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2382.133840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.133840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.133840 (E_RNA) where: Base-Base interactions energy: -1711.531 where: short stacking energy: -685.065 Base-Backbone interact. energy: -3.926 local terms energy: -666.676514 where: bonds (distance) C4'-P energy: -125.238 bonds (distance) P-C4' energy: -121.551 flat angles C4'-P-C4' energy: -155.613 flat angles P-C4'-P energy: -94.709 tors. eta vs tors. theta energy: -169.565 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: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2321.006308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.006308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.006308 (E_RNA) where: Base-Base interactions energy: -1655.941 where: short stacking energy: -688.397 Base-Backbone interact. energy: -0.407 local terms energy: -664.657753 where: bonds (distance) C4'-P energy: -128.055 bonds (distance) P-C4' energy: -116.939 flat angles C4'-P-C4' energy: -141.338 flat angles P-C4'-P energy: -97.129 tors. eta vs tors. theta energy: -181.197 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: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2146.085278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.085278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.085278 (E_RNA) where: Base-Base interactions energy: -1507.356 where: short stacking energy: -598.878 Base-Backbone interact. energy: -3.104 local terms energy: -635.625306 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -131.319 flat angles C4'-P-C4' energy: -136.105 flat angles P-C4'-P energy: -85.898 tors. eta vs tors. theta energy: -177.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2095.451385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.451385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.451385 (E_RNA) where: Base-Base interactions energy: -1444.082 where: short stacking energy: -596.572 Base-Backbone interact. energy: -1.722 local terms energy: -649.647810 where: bonds (distance) C4'-P energy: -116.089 bonds (distance) P-C4' energy: -131.662 flat angles C4'-P-C4' energy: -137.579 flat angles P-C4'-P energy: -95.327 tors. eta vs tors. theta energy: -168.990 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: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1997.875237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.875237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.875237 (E_RNA) where: Base-Base interactions energy: -1412.735 where: short stacking energy: -603.553 Base-Backbone interact. energy: -6.194 local terms energy: -578.945958 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -119.943 flat angles C4'-P-C4' energy: -144.158 flat angles P-C4'-P energy: -78.649 tors. eta vs tors. theta energy: -157.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1807.769426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.769426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.769426 (E_RNA) where: Base-Base interactions energy: -1228.253 where: short stacking energy: -537.201 Base-Backbone interact. energy: -1.382 local terms energy: -578.134000 where: bonds (distance) C4'-P energy: -119.596 bonds (distance) P-C4' energy: -124.283 flat angles C4'-P-C4' energy: -125.038 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -121.311 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: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1651.258879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.258879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.258879 (E_RNA) where: Base-Base interactions energy: -1110.350 where: short stacking energy: -481.059 Base-Backbone interact. energy: 0.067 local terms energy: -540.975919 where: bonds (distance) C4'-P energy: -114.541 bonds (distance) P-C4' energy: -114.034 flat angles C4'-P-C4' energy: -113.318 flat angles P-C4'-P energy: -81.612 tors. eta vs tors. theta energy: -117.470 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: 10 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1492.103821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.103821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.103821 (E_RNA) where: Base-Base interactions energy: -1024.396 where: short stacking energy: -445.987 Base-Backbone interact. energy: 6.353 local terms energy: -474.060293 where: bonds (distance) C4'-P energy: -98.964 bonds (distance) P-C4' energy: -98.624 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -62.815 tors. eta vs tors. theta energy: -93.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1137.742849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.742849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.742849 (E_RNA) where: Base-Base interactions energy: -727.355 where: short stacking energy: -333.458 Base-Backbone interact. energy: -0.779 local terms energy: -409.608405 where: bonds (distance) C4'-P energy: -100.991 bonds (distance) P-C4' energy: -104.734 flat angles C4'-P-C4' energy: -100.566 flat angles P-C4'-P energy: -55.998 tors. eta vs tors. theta energy: -47.320 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: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -787.016940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.016940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.016940 (E_RNA) where: Base-Base interactions energy: -443.223 where: short stacking energy: -262.383 Base-Backbone interact. energy: -2.711 local terms energy: -341.083668 where: bonds (distance) C4'-P energy: -75.553 bonds (distance) P-C4' energy: -109.066 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -47.330 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2378.298489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.298489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.298489 (E_RNA) where: Base-Base interactions energy: -1678.603 where: short stacking energy: -679.663 Base-Backbone interact. energy: -3.269 local terms energy: -696.426472 where: bonds (distance) C4'-P energy: -127.809 bonds (distance) P-C4' energy: -138.395 flat angles C4'-P-C4' energy: -153.550 flat angles P-C4'-P energy: -102.227 tors. eta vs tors. theta energy: -174.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2318.642173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.642173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.642173 (E_RNA) where: Base-Base interactions energy: -1629.891 where: short stacking energy: -677.206 Base-Backbone interact. energy: -4.327 local terms energy: -684.424071 where: bonds (distance) C4'-P energy: -129.420 bonds (distance) P-C4' energy: -114.318 flat angles C4'-P-C4' energy: -150.673 flat angles P-C4'-P energy: -102.520 tors. eta vs tors. theta energy: -187.494 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: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2189.416260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.416260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.416260 (E_RNA) where: Base-Base interactions energy: -1544.761 where: short stacking energy: -618.924 Base-Backbone interact. energy: -5.325 local terms energy: -639.330661 where: bonds (distance) C4'-P energy: -112.840 bonds (distance) P-C4' energy: -118.038 flat angles C4'-P-C4' energy: -132.174 flat angles P-C4'-P energy: -96.948 tors. eta vs tors. theta energy: -179.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2066.760342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.760342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.760342 (E_RNA) where: Base-Base interactions energy: -1455.851 where: short stacking energy: -606.978 Base-Backbone interact. energy: 0.755 local terms energy: -611.664233 where: bonds (distance) C4'-P energy: -125.116 bonds (distance) P-C4' energy: -118.023 flat angles C4'-P-C4' energy: -122.229 flat angles P-C4'-P energy: -89.033 tors. eta vs tors. theta energy: -157.264 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: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2015.140419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.140419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.140419 (E_RNA) where: Base-Base interactions energy: -1389.180 where: short stacking energy: -592.951 Base-Backbone interact. energy: -2.810 local terms energy: -623.150677 where: bonds (distance) C4'-P energy: -119.673 bonds (distance) P-C4' energy: -105.178 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -174.345 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: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1764.209387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.209387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.209387 (E_RNA) where: Base-Base interactions energy: -1196.368 where: short stacking energy: -522.945 Base-Backbone interact. energy: 2.885 local terms energy: -570.725955 where: bonds (distance) C4'-P energy: -113.321 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -137.009 flat angles P-C4'-P energy: -74.802 tors. eta vs tors. theta energy: -133.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1650.387150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.387150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.387150 (E_RNA) where: Base-Base interactions energy: -1137.874 where: short stacking energy: -484.174 Base-Backbone interact. energy: 0.619 local terms energy: -513.132318 where: bonds (distance) C4'-P energy: -114.956 bonds (distance) P-C4' energy: -99.644 flat angles C4'-P-C4' energy: -111.243 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -114.109 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: 10 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1418.001531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.001531 (E_RNA) where: Base-Base interactions energy: -951.044 where: short stacking energy: -438.017 Base-Backbone interact. energy: -0.865 local terms energy: -466.091983 where: bonds (distance) C4'-P energy: -99.078 bonds (distance) P-C4' energy: -91.879 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -74.378 tors. eta vs tors. theta energy: -89.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1175.157335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.157335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.157335 (E_RNA) where: Base-Base interactions energy: -741.938 where: short stacking energy: -340.127 Base-Backbone interact. energy: -0.455 local terms energy: -432.764503 where: bonds (distance) C4'-P energy: -104.868 bonds (distance) P-C4' energy: -95.754 flat angles C4'-P-C4' energy: -121.090 flat angles P-C4'-P energy: -62.351 tors. eta vs tors. theta energy: -48.702 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: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -798.832887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.832887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.832887 (E_RNA) where: Base-Base interactions energy: -420.113 where: short stacking energy: -216.855 Base-Backbone interact. energy: 3.183 local terms energy: -381.902793 where: bonds (distance) C4'-P energy: -100.963 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -69.230 tors. eta vs tors. theta energy: -2.451 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: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2391.281190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.281190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.281190 (E_RNA) where: Base-Base interactions energy: -1664.145 where: short stacking energy: -674.408 Base-Backbone interact. energy: -3.845 local terms energy: -723.290968 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -137.539 flat angles C4'-P-C4' energy: -154.134 flat angles P-C4'-P energy: -107.981 tors. eta vs tors. theta energy: -181.760 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: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2275.503567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.503567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.503567 (E_RNA) where: Base-Base interactions energy: -1585.267 where: short stacking energy: -660.860 Base-Backbone interact. energy: -1.093 local terms energy: -689.143630 where: bonds (distance) C4'-P energy: -135.312 bonds (distance) P-C4' energy: -138.512 flat angles C4'-P-C4' energy: -135.878 flat angles P-C4'-P energy: -88.482 tors. eta vs tors. theta energy: -190.959 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: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2255.706811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.706811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.706811 (E_RNA) where: Base-Base interactions energy: -1580.411 where: short stacking energy: -670.307 Base-Backbone interact. energy: -1.307 local terms energy: -673.989043 where: bonds (distance) C4'-P energy: -118.000 bonds (distance) P-C4' energy: -131.198 flat angles C4'-P-C4' energy: -142.992 flat angles P-C4'-P energy: -98.203 tors. eta vs tors. theta energy: -183.595 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: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2063.207897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.207897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.207897 (E_RNA) where: Base-Base interactions energy: -1429.574 where: short stacking energy: -607.613 Base-Backbone interact. energy: 0.800 local terms energy: -634.434216 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -126.543 flat angles C4'-P-C4' energy: -142.891 flat angles P-C4'-P energy: -91.313 tors. eta vs tors. theta energy: -161.699 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: 3 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1973.907972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.907972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.907972 (E_RNA) where: Base-Base interactions energy: -1363.035 where: short stacking energy: -557.935 Base-Backbone interact. energy: -4.877 local terms energy: -605.995824 where: bonds (distance) C4'-P energy: -99.994 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -80.122 tors. eta vs tors. theta energy: -164.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1741.445272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.445272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.445272 (E_RNA) where: Base-Base interactions energy: -1182.778 where: short stacking energy: -522.523 Base-Backbone interact. energy: 0.046 local terms energy: -558.712829 where: bonds (distance) C4'-P energy: -99.285 bonds (distance) P-C4' energy: -125.018 flat angles C4'-P-C4' energy: -118.554 flat angles P-C4'-P energy: -83.622 tors. eta vs tors. theta energy: -132.233 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: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1641.864530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.864530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.864530 (E_RNA) where: Base-Base interactions energy: -1134.932 where: short stacking energy: -512.978 Base-Backbone interact. energy: 1.062 local terms energy: -507.994677 where: bonds (distance) C4'-P energy: -97.179 bonds (distance) P-C4' energy: -96.672 flat angles C4'-P-C4' energy: -119.605 flat angles P-C4'-P energy: -58.638 tors. eta vs tors. theta energy: -135.900 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: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1437.996201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.996201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.996201 (E_RNA) where: Base-Base interactions energy: -971.684 where: short stacking energy: -410.880 Base-Backbone interact. energy: -4.546 local terms energy: -461.766644 where: bonds (distance) C4'-P energy: -94.147 bonds (distance) P-C4' energy: -106.265 flat angles C4'-P-C4' energy: -113.910 flat angles P-C4'-P energy: -55.987 tors. eta vs tors. theta energy: -91.458 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: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1133.064365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.064365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.064365 (E_RNA) where: Base-Base interactions energy: -689.536 where: short stacking energy: -318.728 Base-Backbone interact. energy: -2.027 local terms energy: -441.501178 where: bonds (distance) C4'-P energy: -111.117 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -115.004 flat angles P-C4'-P energy: -75.139 tors. eta vs tors. theta energy: -38.819 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: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -833.817438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.817438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.817438 (E_RNA) where: Base-Base interactions energy: -473.687 where: short stacking energy: -240.095 Base-Backbone interact. energy: 3.446 local terms energy: -363.576424 where: bonds (distance) C4'-P energy: -92.210 bonds (distance) P-C4' energy: -103.195 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -67.466 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2416.056998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.056998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.056998 (E_RNA) where: Base-Base interactions energy: -1714.364 where: short stacking energy: -656.797 Base-Backbone interact. energy: -2.700 local terms energy: -698.992660 where: bonds (distance) C4'-P energy: -137.796 bonds (distance) P-C4' energy: -136.841 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -96.105 tors. eta vs tors. theta energy: -176.948 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: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2247.269309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.269309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.269309 (E_RNA) where: Base-Base interactions energy: -1587.011 where: short stacking energy: -660.274 Base-Backbone interact. energy: -4.933 local terms energy: -655.325172 where: bonds (distance) C4'-P energy: -130.264 bonds (distance) P-C4' energy: -132.028 flat angles C4'-P-C4' energy: -137.229 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -182.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2246.219069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.219069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.219069 (E_RNA) where: Base-Base interactions energy: -1586.010 where: short stacking energy: -643.533 Base-Backbone interact. energy: -0.903 local terms energy: -659.305933 where: bonds (distance) C4'-P energy: -117.617 bonds (distance) P-C4' energy: -132.783 flat angles C4'-P-C4' energy: -147.101 flat angles P-C4'-P energy: -93.774 tors. eta vs tors. theta energy: -168.031 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: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2133.804510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.804510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.804510 (E_RNA) where: Base-Base interactions energy: -1485.713 where: short stacking energy: -638.607 Base-Backbone interact. energy: -6.118 local terms energy: -641.973080 where: bonds (distance) C4'-P energy: -100.040 bonds (distance) P-C4' energy: -121.993 flat angles C4'-P-C4' energy: -142.180 flat angles P-C4'-P energy: -102.070 tors. eta vs tors. theta energy: -175.690 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: 3 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1978.542252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.542252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.542252 (E_RNA) where: Base-Base interactions energy: -1364.811 where: short stacking energy: -583.256 Base-Backbone interact. energy: -0.107 local terms energy: -613.624042 where: bonds (distance) C4'-P energy: -114.607 bonds (distance) P-C4' energy: -109.960 flat angles C4'-P-C4' energy: -139.184 flat angles P-C4'-P energy: -78.968 tors. eta vs tors. theta energy: -170.906 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: 1 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1727.430734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.430734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.430734 (E_RNA) where: Base-Base interactions energy: -1179.188 where: short stacking energy: -523.706 Base-Backbone interact. energy: -0.425 local terms energy: -547.818181 where: bonds (distance) C4'-P energy: -106.424 bonds (distance) P-C4' energy: -113.435 flat angles C4'-P-C4' energy: -118.106 flat angles P-C4'-P energy: -78.135 tors. eta vs tors. theta energy: -131.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1590.257993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.257993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.257993 (E_RNA) where: Base-Base interactions energy: -1050.478 where: short stacking energy: -466.534 Base-Backbone interact. energy: 0.617 local terms energy: -540.397214 where: bonds (distance) C4'-P energy: -119.929 bonds (distance) P-C4' energy: -112.797 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -84.556 tors. eta vs tors. theta energy: -110.574 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: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1377.815615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.815615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.815615 (E_RNA) where: Base-Base interactions energy: -902.605 where: short stacking energy: -420.234 Base-Backbone interact. energy: 0.136 local terms energy: -475.346759 where: bonds (distance) C4'-P energy: -94.398 bonds (distance) P-C4' energy: -110.386 flat angles C4'-P-C4' energy: -117.696 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -92.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1065.778444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.778444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.778444 (E_RNA) where: Base-Base interactions energy: -663.985 where: short stacking energy: -283.991 Base-Backbone interact. energy: 3.507 local terms energy: -405.300924 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -100.955 flat angles C4'-P-C4' energy: -103.237 flat angles P-C4'-P energy: -66.155 tors. eta vs tors. theta energy: -24.455 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: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -844.251161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.251161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.251161 (E_RNA) where: Base-Base interactions energy: -450.658 where: short stacking energy: -267.787 Base-Backbone interact. energy: 3.433 local terms energy: -397.026185 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -124.810 flat angles C4'-P-C4' energy: -87.542 flat angles P-C4'-P energy: -62.157 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2407.211308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.211308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.211308 (E_RNA) where: Base-Base interactions energy: -1701.419 where: short stacking energy: -695.985 Base-Backbone interact. energy: -0.781 local terms energy: -705.011178 where: bonds (distance) C4'-P energy: -128.403 bonds (distance) P-C4' energy: -135.043 flat angles C4'-P-C4' energy: -148.729 flat angles P-C4'-P energy: -97.795 tors. eta vs tors. theta energy: -195.041 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: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2246.036318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.036318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.036318 (E_RNA) where: Base-Base interactions energy: -1589.408 where: short stacking energy: -663.392 Base-Backbone interact. energy: 1.602 local terms energy: -658.230938 where: bonds (distance) C4'-P energy: -121.943 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -143.059 flat angles P-C4'-P energy: -90.955 tors. eta vs tors. theta energy: -170.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2173.203518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.203518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.203518 (E_RNA) where: Base-Base interactions energy: -1516.165 where: short stacking energy: -641.713 Base-Backbone interact. energy: -3.829 local terms energy: -653.209171 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -116.393 flat angles C4'-P-C4' energy: -136.004 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -182.266 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2109.289042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.289042 (E_RNA) where: Base-Base interactions energy: -1469.957 where: short stacking energy: -605.925 Base-Backbone interact. energy: -2.795 local terms energy: -636.537051 where: bonds (distance) C4'-P energy: -116.518 bonds (distance) P-C4' energy: -119.993 flat angles C4'-P-C4' energy: -140.748 flat angles P-C4'-P energy: -91.870 tors. eta vs tors. theta energy: -167.408 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: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1944.645601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.645601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.645601 (E_RNA) where: Base-Base interactions energy: -1344.553 where: short stacking energy: -572.391 Base-Backbone interact. energy: -4.679 local terms energy: -595.413487 where: bonds (distance) C4'-P energy: -117.693 bonds (distance) P-C4' energy: -109.480 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -155.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1779.175996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.175996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.175996 (E_RNA) where: Base-Base interactions energy: -1239.087 where: short stacking energy: -533.125 Base-Backbone interact. energy: -2.558 local terms energy: -537.531803 where: bonds (distance) C4'-P energy: -99.415 bonds (distance) P-C4' energy: -125.965 flat angles C4'-P-C4' energy: -116.933 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -127.740 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1637.353190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.353190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.353190 (E_RNA) where: Base-Base interactions energy: -1095.502 where: short stacking energy: -493.312 Base-Backbone interact. energy: 0.270 local terms energy: -542.121481 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -103.848 flat angles C4'-P-C4' energy: -119.258 flat angles P-C4'-P energy: -79.966 tors. eta vs tors. theta energy: -128.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1344.139208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.139208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.139208 (E_RNA) where: Base-Base interactions energy: -882.917 where: short stacking energy: -373.511 Base-Backbone interact. energy: 0.617 local terms energy: -461.840043 where: bonds (distance) C4'-P energy: -99.123 bonds (distance) P-C4' energy: -112.463 flat angles C4'-P-C4' energy: -105.419 flat angles P-C4'-P energy: -83.954 tors. eta vs tors. theta energy: -60.882 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: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1079.356956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.356956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.356956 (E_RNA) where: Base-Base interactions energy: -662.725 where: short stacking energy: -315.858 Base-Backbone interact. energy: 4.121 local terms energy: -420.753053 where: bonds (distance) C4'-P energy: -120.337 bonds (distance) P-C4' energy: -121.584 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -50.155 tors. eta vs tors. theta energy: -40.234 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: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -764.780815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.780815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.780815 (E_RNA) where: Base-Base interactions energy: -386.377 where: short stacking energy: -221.612 Base-Backbone interact. energy: 0.478 local terms energy: -378.882164 where: bonds (distance) C4'-P energy: -105.304 bonds (distance) P-C4' energy: -124.420 flat angles C4'-P-C4' energy: -105.265 flat angles P-C4'-P energy: -46.641 tors. eta vs tors. theta energy: 2.747 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: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2400.841520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.841520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.841520 (E_RNA) where: Base-Base interactions energy: -1688.646 where: short stacking energy: -702.676 Base-Backbone interact. energy: -3.879 local terms energy: -708.316165 where: bonds (distance) C4'-P energy: -132.731 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -153.773 flat angles P-C4'-P energy: -97.772 tors. eta vs tors. theta energy: -192.336 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: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2317.791741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.791741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.791741 (E_RNA) where: Base-Base interactions energy: -1643.811 where: short stacking energy: -673.921 Base-Backbone interact. energy: -0.821 local terms energy: -673.159497 where: bonds (distance) C4'-P energy: -126.569 bonds (distance) P-C4' energy: -138.164 flat angles C4'-P-C4' energy: -135.699 flat angles P-C4'-P energy: -99.937 tors. eta vs tors. theta energy: -172.791 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: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2150.929136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.929136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.929136 (E_RNA) where: Base-Base interactions energy: -1495.494 where: short stacking energy: -649.939 Base-Backbone interact. energy: -2.576 local terms energy: -652.859620 where: bonds (distance) C4'-P energy: -119.301 bonds (distance) P-C4' energy: -125.431 flat angles C4'-P-C4' energy: -141.723 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -183.030 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: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2135.714719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.714719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.714719 (E_RNA) where: Base-Base interactions energy: -1493.368 where: short stacking energy: -626.040 Base-Backbone interact. energy: 1.332 local terms energy: -643.679386 where: bonds (distance) C4'-P energy: -115.922 bonds (distance) P-C4' energy: -132.325 flat angles C4'-P-C4' energy: -139.962 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -178.505 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: 5, replica: 3 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1914.352102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.352102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.352102 (E_RNA) where: Base-Base interactions energy: -1353.967 where: short stacking energy: -566.114 Base-Backbone interact. energy: 2.725 local terms energy: -563.109984 where: bonds (distance) C4'-P energy: -97.608 bonds (distance) P-C4' energy: -124.766 flat angles C4'-P-C4' energy: -120.465 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -144.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1803.225435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.225435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.225435 (E_RNA) where: Base-Base interactions energy: -1238.989 where: short stacking energy: -526.028 Base-Backbone interact. energy: -2.634 local terms energy: -561.602215 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -110.829 flat angles C4'-P-C4' energy: -131.853 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -132.645 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: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1637.732015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.732015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.732015 (E_RNA) where: Base-Base interactions energy: -1122.724 where: short stacking energy: -489.342 Base-Backbone interact. energy: 1.794 local terms energy: -516.801869 where: bonds (distance) C4'-P energy: -100.347 bonds (distance) P-C4' energy: -121.123 flat angles C4'-P-C4' energy: -121.721 flat angles P-C4'-P energy: -66.302 tors. eta vs tors. theta energy: -107.309 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: 8, replica: 10 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1383.901300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.901300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.901300 (E_RNA) where: Base-Base interactions energy: -908.573 where: short stacking energy: -387.422 Base-Backbone interact. energy: -2.962 local terms energy: -472.366437 where: bonds (distance) C4'-P energy: -97.327 bonds (distance) P-C4' energy: -120.558 flat angles C4'-P-C4' energy: -106.426 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: -73.696 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: 7 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1147.103101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.103101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.103101 (E_RNA) where: Base-Base interactions energy: -731.586 where: short stacking energy: -318.965 Base-Backbone interact. energy: 6.621 local terms energy: -422.137450 where: bonds (distance) C4'-P energy: -103.483 bonds (distance) P-C4' energy: -99.891 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -76.234 tors. eta vs tors. theta energy: -49.733 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: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -806.858667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.858667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.858667 (E_RNA) where: Base-Base interactions energy: -439.256 where: short stacking energy: -217.013 Base-Backbone interact. energy: 7.589 local terms energy: -375.191955 where: bonds (distance) C4'-P energy: -109.583 bonds (distance) P-C4' energy: -113.837 flat angles C4'-P-C4' energy: -86.590 flat angles P-C4'-P energy: -52.193 tors. eta vs tors. theta energy: -12.988 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: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2380.432135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.432135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.432135 (E_RNA) where: Base-Base interactions energy: -1686.270 where: short stacking energy: -676.993 Base-Backbone interact. energy: -4.902 local terms energy: -689.260732 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -136.149 flat angles C4'-P-C4' energy: -147.707 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -186.927 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: 215 Temperature: 0.950000 Total energy: -2282.203120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.203120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.203120 (E_RNA) where: Base-Base interactions energy: -1608.182 where: short stacking energy: -665.598 Base-Backbone interact. energy: -4.383 local terms energy: -669.637629 where: bonds (distance) C4'-P energy: -119.433 bonds (distance) P-C4' energy: -138.159 flat angles C4'-P-C4' energy: -140.105 flat angles P-C4'-P energy: -88.356 tors. eta vs tors. theta energy: -183.584 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: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2156.056112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.056112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.056112 (E_RNA) where: Base-Base interactions energy: -1516.277 where: short stacking energy: -627.993 Base-Backbone interact. energy: -1.617 local terms energy: -638.162477 where: bonds (distance) C4'-P energy: -124.584 bonds (distance) P-C4' energy: -132.344 flat angles C4'-P-C4' energy: -128.876 flat angles P-C4'-P energy: -85.747 tors. eta vs tors. theta energy: -166.612 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: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2117.855823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.855823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.855823 (E_RNA) where: Base-Base interactions energy: -1484.706 where: short stacking energy: -613.945 Base-Backbone interact. energy: -3.069 local terms energy: -630.081086 where: bonds (distance) C4'-P energy: -105.502 bonds (distance) P-C4' energy: -122.760 flat angles C4'-P-C4' energy: -141.995 flat angles P-C4'-P energy: -89.741 tors. eta vs tors. theta energy: -170.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1942.182234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.182234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.182234 (E_RNA) where: Base-Base interactions energy: -1349.659 where: short stacking energy: -583.257 Base-Backbone interact. energy: 1.026 local terms energy: -593.549919 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -125.710 flat angles P-C4'-P energy: -83.438 tors. eta vs tors. theta energy: -153.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1790.947829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.947829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.947829 (E_RNA) where: Base-Base interactions energy: -1238.255 where: short stacking energy: -542.210 Base-Backbone interact. energy: -1.634 local terms energy: -551.059330 where: bonds (distance) C4'-P energy: -99.307 bonds (distance) P-C4' energy: -101.277 flat angles C4'-P-C4' energy: -123.295 flat angles P-C4'-P energy: -85.313 tors. eta vs tors. theta energy: -141.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1640.727279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.727279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.727279 (E_RNA) where: Base-Base interactions energy: -1126.251 where: short stacking energy: -473.947 Base-Backbone interact. energy: -0.343 local terms energy: -514.132982 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -117.271 flat angles C4'-P-C4' energy: -128.029 flat angles P-C4'-P energy: -70.433 tors. eta vs tors. theta energy: -97.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1375.397211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.397211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.397211 (E_RNA) where: Base-Base interactions energy: -914.478 where: short stacking energy: -401.995 Base-Backbone interact. energy: -0.227 local terms energy: -460.692881 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -117.098 flat angles C4'-P-C4' energy: -114.117 flat angles P-C4'-P energy: -56.458 tors. eta vs tors. theta energy: -82.145 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: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1189.843371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.843371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.843371 (E_RNA) where: Base-Base interactions energy: -746.627 where: short stacking energy: -319.293 Base-Backbone interact. energy: -1.536 local terms energy: -441.679707 where: bonds (distance) C4'-P energy: -108.823 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -67.492 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: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -765.932298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.932298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.932298 (E_RNA) where: Base-Base interactions energy: -453.181 where: short stacking energy: -215.760 Base-Backbone interact. energy: 0.449 local terms energy: -313.200647 where: bonds (distance) C4'-P energy: -84.828 bonds (distance) P-C4' energy: -103.302 flat angles C4'-P-C4' energy: -78.146 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: 8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2406.128515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.128515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.128515 (E_RNA) where: Base-Base interactions energy: -1712.799 where: short stacking energy: -713.958 Base-Backbone interact. energy: -6.665 local terms energy: -686.665059 where: bonds (distance) C4'-P energy: -119.910 bonds (distance) P-C4' energy: -122.968 flat angles C4'-P-C4' energy: -157.233 flat angles P-C4'-P energy: -99.130 tors. eta vs tors. theta energy: -187.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2311.337802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.337802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.337802 (E_RNA) where: Base-Base interactions energy: -1635.890 where: short stacking energy: -667.831 Base-Backbone interact. energy: -2.131 local terms energy: -673.316890 where: bonds (distance) C4'-P energy: -131.798 bonds (distance) P-C4' energy: -122.297 flat angles C4'-P-C4' energy: -153.963 flat angles P-C4'-P energy: -80.474 tors. eta vs tors. theta energy: -184.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2169.774621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.774621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.774621 (E_RNA) where: Base-Base interactions energy: -1523.530 where: short stacking energy: -666.228 Base-Backbone interact. energy: -0.498 local terms energy: -645.746752 where: bonds (distance) C4'-P energy: -129.971 bonds (distance) P-C4' energy: -118.755 flat angles C4'-P-C4' energy: -128.708 flat angles P-C4'-P energy: -90.664 tors. eta vs tors. theta energy: -177.649 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: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2092.496296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.496296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.496296 (E_RNA) where: Base-Base interactions energy: -1475.532 where: short stacking energy: -612.549 Base-Backbone interact. energy: 0.299 local terms energy: -617.263264 where: bonds (distance) C4'-P energy: -113.625 bonds (distance) P-C4' energy: -126.760 flat angles C4'-P-C4' energy: -135.126 flat angles P-C4'-P energy: -67.894 tors. eta vs tors. theta energy: -173.858 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: 5, replica: 3 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1950.549291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.549291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.549291 (E_RNA) where: Base-Base interactions energy: -1354.705 where: short stacking energy: -581.442 Base-Backbone interact. energy: 4.245 local terms energy: -600.089875 where: bonds (distance) C4'-P energy: -119.705 bonds (distance) P-C4' energy: -108.666 flat angles C4'-P-C4' energy: -136.173 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -155.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1820.209313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.209313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.209313 (E_RNA) where: Base-Base interactions energy: -1246.134 where: short stacking energy: -528.021 Base-Backbone interact. energy: -1.589 local terms energy: -572.486395 where: bonds (distance) C4'-P energy: -120.512 bonds (distance) P-C4' energy: -114.698 flat angles C4'-P-C4' energy: -127.509 flat angles P-C4'-P energy: -75.883 tors. eta vs tors. theta energy: -133.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1619.897474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.897474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.897474 (E_RNA) where: Base-Base interactions energy: -1104.305 where: short stacking energy: -480.935 Base-Backbone interact. energy: -0.154 local terms energy: -515.438359 where: bonds (distance) C4'-P energy: -92.470 bonds (distance) P-C4' energy: -111.851 flat angles C4'-P-C4' energy: -113.151 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: -120.627 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: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1413.095977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.095977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.095977 (E_RNA) where: Base-Base interactions energy: -950.893 where: short stacking energy: -429.812 Base-Backbone interact. energy: 0.618 local terms energy: -462.821578 where: bonds (distance) C4'-P energy: -98.074 bonds (distance) P-C4' energy: -128.536 flat angles C4'-P-C4' energy: -100.367 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: -88.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1176.822062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.822062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.822062 (E_RNA) where: Base-Base interactions energy: -740.091 where: short stacking energy: -315.488 Base-Backbone interact. energy: -1.527 local terms energy: -435.203865 where: bonds (distance) C4'-P energy: -100.279 bonds (distance) P-C4' energy: -119.255 flat angles C4'-P-C4' energy: -100.329 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -36.160 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: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -741.486135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.486135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.486135 (E_RNA) where: Base-Base interactions energy: -392.839 where: short stacking energy: -227.936 Base-Backbone interact. energy: -0.557 local terms energy: -348.090786 where: bonds (distance) C4'-P energy: -104.229 bonds (distance) P-C4' energy: -108.047 flat angles C4'-P-C4' energy: -78.857 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2402.799058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.799058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.799058 (E_RNA) where: Base-Base interactions energy: -1706.136 where: short stacking energy: -697.863 Base-Backbone interact. energy: -2.169 local terms energy: -694.493861 where: bonds (distance) C4'-P energy: -125.991 bonds (distance) P-C4' energy: -135.588 flat angles C4'-P-C4' energy: -148.126 flat angles P-C4'-P energy: -101.735 tors. eta vs tors. theta energy: -183.054 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: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2326.235210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.235210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.235210 (E_RNA) where: Base-Base interactions energy: -1625.381 where: short stacking energy: -668.097 Base-Backbone interact. energy: -1.871 local terms energy: -698.982826 where: bonds (distance) C4'-P energy: -134.015 bonds (distance) P-C4' energy: -138.323 flat angles C4'-P-C4' energy: -155.749 flat angles P-C4'-P energy: -87.677 tors. eta vs tors. theta energy: -183.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2179.197829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.197829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.197829 (E_RNA) where: Base-Base interactions energy: -1491.840 where: short stacking energy: -640.127 Base-Backbone interact. energy: -2.715 local terms energy: -684.642154 where: bonds (distance) C4'-P energy: -132.317 bonds (distance) P-C4' energy: -137.543 flat angles C4'-P-C4' energy: -144.203 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -178.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2101.212437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.212437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.212437 (E_RNA) where: Base-Base interactions energy: -1492.118 where: short stacking energy: -609.524 Base-Backbone interact. energy: -2.086 local terms energy: -607.009161 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -106.549 flat angles C4'-P-C4' energy: -136.447 flat angles P-C4'-P energy: -84.996 tors. eta vs tors. theta energy: -166.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1912.066619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.066619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.066619 (E_RNA) where: Base-Base interactions energy: -1333.183 where: short stacking energy: -576.781 Base-Backbone interact. energy: 4.236 local terms energy: -583.119124 where: bonds (distance) C4'-P energy: -122.740 bonds (distance) P-C4' energy: -107.862 flat angles C4'-P-C4' energy: -135.206 flat angles P-C4'-P energy: -70.564 tors. eta vs tors. theta energy: -146.747 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: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1817.913709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.913709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.913709 (E_RNA) where: Base-Base interactions energy: -1250.482 where: short stacking energy: -519.959 Base-Backbone interact. energy: 2.739 local terms energy: -570.170605 where: bonds (distance) C4'-P energy: -122.206 bonds (distance) P-C4' energy: -126.847 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -75.527 tors. eta vs tors. theta energy: -132.851 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: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1618.053331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.053331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.053331 (E_RNA) where: Base-Base interactions energy: -1095.044 where: short stacking energy: -485.003 Base-Backbone interact. energy: -1.767 local terms energy: -521.242661 where: bonds (distance) C4'-P energy: -98.849 bonds (distance) P-C4' energy: -106.482 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -86.389 tors. eta vs tors. theta energy: -111.839 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: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1398.894813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.894813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.894813 (E_RNA) where: Base-Base interactions energy: -914.475 where: short stacking energy: -427.651 Base-Backbone interact. energy: -1.741 local terms energy: -482.678510 where: bonds (distance) C4'-P energy: -87.173 bonds (distance) P-C4' energy: -101.176 flat angles C4'-P-C4' energy: -128.878 flat angles P-C4'-P energy: -74.189 tors. eta vs tors. theta energy: -91.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1185.343074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.343074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.343074 (E_RNA) where: Base-Base interactions energy: -745.811 where: short stacking energy: -345.323 Base-Backbone interact. energy: 0.287 local terms energy: -439.818852 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -113.890 flat angles C4'-P-C4' energy: -112.601 flat angles P-C4'-P energy: -61.860 tors. eta vs tors. theta energy: -70.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -761.172572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.172572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.172572 (E_RNA) where: Base-Base interactions energy: -373.172 where: short stacking energy: -225.738 Base-Backbone interact. energy: 4.097 local terms energy: -392.097325 where: bonds (distance) C4'-P energy: -104.202 bonds (distance) P-C4' energy: -112.225 flat angles C4'-P-C4' energy: -98.297 flat angles P-C4'-P energy: -56.881 tors. eta vs tors. theta energy: -20.492 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: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2377.804015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.804015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.804015 (E_RNA) where: Base-Base interactions energy: -1691.089 where: short stacking energy: -693.493 Base-Backbone interact. energy: -2.814 local terms energy: -683.901459 where: bonds (distance) C4'-P energy: -121.694 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -155.019 flat angles P-C4'-P energy: -97.223 tors. eta vs tors. theta energy: -188.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2326.794576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.794576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.794576 (E_RNA) where: Base-Base interactions energy: -1657.861 where: short stacking energy: -673.777 Base-Backbone interact. energy: -2.713 local terms energy: -666.220029 where: bonds (distance) C4'-P energy: -122.890 bonds (distance) P-C4' energy: -110.032 flat angles C4'-P-C4' energy: -151.186 flat angles P-C4'-P energy: -95.644 tors. eta vs tors. theta energy: -186.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2177.625573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.625573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.625573 (E_RNA) where: Base-Base interactions energy: -1537.526 where: short stacking energy: -645.618 Base-Backbone interact. energy: -1.599 local terms energy: -638.500744 where: bonds (distance) C4'-P energy: -103.626 bonds (distance) P-C4' energy: -124.115 flat angles C4'-P-C4' energy: -136.640 flat angles P-C4'-P energy: -84.651 tors. eta vs tors. theta energy: -189.470 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: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2126.940013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.940013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.940013 (E_RNA) where: Base-Base interactions energy: -1488.622 where: short stacking energy: -590.822 Base-Backbone interact. energy: -2.417 local terms energy: -635.900659 where: bonds (distance) C4'-P energy: -111.942 bonds (distance) P-C4' energy: -133.177 flat angles C4'-P-C4' energy: -134.235 flat angles P-C4'-P energy: -89.637 tors. eta vs tors. theta energy: -166.909 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: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1938.588428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.588428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.588428 (E_RNA) where: Base-Base interactions energy: -1379.091 where: short stacking energy: -568.424 Base-Backbone interact. energy: -0.943 local terms energy: -558.554642 where: bonds (distance) C4'-P energy: -110.942 bonds (distance) P-C4' energy: -102.129 flat angles C4'-P-C4' energy: -124.054 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -146.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1799.849027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.849027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.849027 (E_RNA) where: Base-Base interactions energy: -1224.665 where: short stacking energy: -521.012 Base-Backbone interact. energy: -1.970 local terms energy: -573.213190 where: bonds (distance) C4'-P energy: -110.938 bonds (distance) P-C4' energy: -113.656 flat angles C4'-P-C4' energy: -119.904 flat angles P-C4'-P energy: -85.198 tors. eta vs tors. theta energy: -143.517 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: 8 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1632.864714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.864714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.864714 (E_RNA) where: Base-Base interactions energy: -1116.405 where: short stacking energy: -497.224 Base-Backbone interact. energy: -1.109 local terms energy: -515.350602 where: bonds (distance) C4'-P energy: -109.893 bonds (distance) P-C4' energy: -102.207 flat angles C4'-P-C4' energy: -115.044 flat angles P-C4'-P energy: -67.731 tors. eta vs tors. theta energy: -120.476 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1298.859513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.859513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.859513 (E_RNA) where: Base-Base interactions energy: -848.291 where: short stacking energy: -385.478 Base-Backbone interact. energy: -0.952 local terms energy: -449.616207 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -106.873 flat angles C4'-P-C4' energy: -110.160 flat angles P-C4'-P energy: -58.168 tors. eta vs tors. theta energy: -67.850 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: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1169.320933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.320933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.320933 (E_RNA) where: Base-Base interactions energy: -715.190 where: short stacking energy: -348.881 Base-Backbone interact. energy: -3.489 local terms energy: -450.642259 where: bonds (distance) C4'-P energy: -95.169 bonds (distance) P-C4' energy: -111.003 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -71.218 tors. eta vs tors. theta energy: -66.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -776.399090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.399090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.399090 (E_RNA) where: Base-Base interactions energy: -399.842 where: short stacking energy: -251.852 Base-Backbone interact. energy: -1.626 local terms energy: -374.931545 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -104.508 flat angles C4'-P-C4' energy: -107.707 flat angles P-C4'-P energy: -59.075 tors. eta vs tors. theta energy: -14.433 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: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2400.779611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.779611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.779611 (E_RNA) where: Base-Base interactions energy: -1689.945 where: short stacking energy: -672.149 Base-Backbone interact. energy: -4.360 local terms energy: -706.473734 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -135.509 flat angles C4'-P-C4' energy: -142.625 flat angles P-C4'-P energy: -105.379 tors. eta vs tors. theta energy: -180.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2309.732834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.732834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.732834 (E_RNA) where: Base-Base interactions energy: -1647.093 where: short stacking energy: -680.334 Base-Backbone interact. energy: -3.102 local terms energy: -659.538231 where: bonds (distance) C4'-P energy: -139.067 bonds (distance) P-C4' energy: -109.630 flat angles C4'-P-C4' energy: -142.735 flat angles P-C4'-P energy: -91.258 tors. eta vs tors. theta energy: -176.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2207.518764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.518764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.518764 (E_RNA) where: Base-Base interactions energy: -1552.196 where: short stacking energy: -652.323 Base-Backbone interact. energy: 0.713 local terms energy: -656.035765 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -137.074 flat angles P-C4'-P energy: -82.585 tors. eta vs tors. theta energy: -181.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2121.976212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.976212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.976212 (E_RNA) where: Base-Base interactions energy: -1519.191 where: short stacking energy: -586.895 Base-Backbone interact. energy: -0.435 local terms energy: -602.350319 where: bonds (distance) C4'-P energy: -103.289 bonds (distance) P-C4' energy: -123.518 flat angles C4'-P-C4' energy: -119.210 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -171.044 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: 5, replica: 3 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1943.839797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.839797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.839797 (E_RNA) where: Base-Base interactions energy: -1353.701 where: short stacking energy: -569.123 Base-Backbone interact. energy: -2.970 local terms energy: -587.168789 where: bonds (distance) C4'-P energy: -118.247 bonds (distance) P-C4' energy: -111.481 flat angles C4'-P-C4' energy: -127.864 flat angles P-C4'-P energy: -67.243 tors. eta vs tors. theta energy: -162.334 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1804.221351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.221351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.221351 (E_RNA) where: Base-Base interactions energy: -1233.803 where: short stacking energy: -521.868 Base-Backbone interact. energy: 0.405 local terms energy: -570.823515 where: bonds (distance) C4'-P energy: -114.040 bonds (distance) P-C4' energy: -121.213 flat angles C4'-P-C4' energy: -119.049 flat angles P-C4'-P energy: -81.313 tors. eta vs tors. theta energy: -135.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1555.250099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.250099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.250099 (E_RNA) where: Base-Base interactions energy: -1051.283 where: short stacking energy: -450.365 Base-Backbone interact. energy: 1.682 local terms energy: -505.648836 where: bonds (distance) C4'-P energy: -98.531 bonds (distance) P-C4' energy: -119.653 flat angles C4'-P-C4' energy: -117.648 flat angles P-C4'-P energy: -70.750 tors. eta vs tors. theta energy: -99.067 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: 10 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1302.130355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.130355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.130355 (E_RNA) where: Base-Base interactions energy: -853.731 where: short stacking energy: -370.409 Base-Backbone interact. energy: -2.445 local terms energy: -445.953508 where: bonds (distance) C4'-P energy: -95.853 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -115.431 flat angles P-C4'-P energy: -82.795 tors. eta vs tors. theta energy: -61.321 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: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1167.771829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.771829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.771829 (E_RNA) where: Base-Base interactions energy: -731.584 where: short stacking energy: -324.174 Base-Backbone interact. energy: -1.254 local terms energy: -434.933859 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -124.732 flat angles C4'-P-C4' energy: -100.525 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -53.652 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -667.792150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.792150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.792150 (E_RNA) where: Base-Base interactions energy: -354.185 where: short stacking energy: -204.634 Base-Backbone interact. energy: 1.011 local terms energy: -314.618707 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -81.037 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: 12.852 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: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2405.360734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.360734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.360734 (E_RNA) where: Base-Base interactions energy: -1707.238 where: short stacking energy: -669.202 Base-Backbone interact. energy: -4.224 local terms energy: -693.898731 where: bonds (distance) C4'-P energy: -124.576 bonds (distance) P-C4' energy: -126.646 flat angles C4'-P-C4' energy: -156.442 flat angles P-C4'-P energy: -102.289 tors. eta vs tors. theta energy: -183.945 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: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2326.645455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.645455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.645455 (E_RNA) where: Base-Base interactions energy: -1650.106 where: short stacking energy: -684.688 Base-Backbone interact. energy: -0.936 local terms energy: -675.603787 where: bonds (distance) C4'-P energy: -133.837 bonds (distance) P-C4' energy: -125.741 flat angles C4'-P-C4' energy: -146.527 flat angles P-C4'-P energy: -95.098 tors. eta vs tors. theta energy: -174.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2199.677171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.677171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.677171 (E_RNA) where: Base-Base interactions energy: -1534.310 where: short stacking energy: -650.591 Base-Backbone interact. energy: -4.366 local terms energy: -661.000451 where: bonds (distance) C4'-P energy: -118.094 bonds (distance) P-C4' energy: -128.819 flat angles C4'-P-C4' energy: -142.137 flat angles P-C4'-P energy: -92.779 tors. eta vs tors. theta energy: -179.172 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2115.694908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.694908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.694908 (E_RNA) where: Base-Base interactions energy: -1486.207 where: short stacking energy: -601.034 Base-Backbone interact. energy: -0.467 local terms energy: -629.020696 where: bonds (distance) C4'-P energy: -126.798 bonds (distance) P-C4' energy: -116.530 flat angles C4'-P-C4' energy: -141.079 flat angles P-C4'-P energy: -75.101 tors. eta vs tors. theta energy: -169.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1918.946738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.946738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.946738 (E_RNA) where: Base-Base interactions energy: -1330.338 where: short stacking energy: -542.397 Base-Backbone interact. energy: -1.434 local terms energy: -587.174541 where: bonds (distance) C4'-P energy: -104.112 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -132.073 flat angles P-C4'-P energy: -81.326 tors. eta vs tors. theta energy: -155.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1809.754451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.754451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.754451 (E_RNA) where: Base-Base interactions energy: -1221.432 where: short stacking energy: -522.393 Base-Backbone interact. energy: 3.206 local terms energy: -591.528221 where: bonds (distance) C4'-P energy: -119.544 bonds (distance) P-C4' energy: -120.968 flat angles C4'-P-C4' energy: -132.551 flat angles P-C4'-P energy: -81.542 tors. eta vs tors. theta energy: -136.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1602.376014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.376014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.376014 (E_RNA) where: Base-Base interactions energy: -1080.845 where: short stacking energy: -452.629 Base-Backbone interact. energy: 0.124 local terms energy: -521.654991 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -118.668 flat angles C4'-P-C4' energy: -117.055 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -104.134 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: 220 Temperature: 1.250000 Total energy: -1284.830016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.830016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.830016 (E_RNA) where: Base-Base interactions energy: -799.794 where: short stacking energy: -352.737 Base-Backbone interact. energy: 3.616 local terms energy: -488.652417 where: bonds (distance) C4'-P energy: -110.799 bonds (distance) P-C4' energy: -120.824 flat angles C4'-P-C4' energy: -106.017 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -68.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1235.113561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.113561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.113561 (E_RNA) where: Base-Base interactions energy: -799.248 where: short stacking energy: -370.028 Base-Backbone interact. energy: 0.609 local terms energy: -436.473927 where: bonds (distance) C4'-P energy: -94.659 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -105.461 flat angles P-C4'-P energy: -61.906 tors. eta vs tors. theta energy: -56.092 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: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -879.817615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.817615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.817615 (E_RNA) where: Base-Base interactions energy: -478.613 where: short stacking energy: -262.669 Base-Backbone interact. energy: -2.610 local terms energy: -398.594977 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -113.192 flat angles C4'-P-C4' energy: -103.128 flat angles P-C4'-P energy: -49.562 tors. eta vs tors. theta energy: -34.145 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: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2429.438932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.438932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.438932 (E_RNA) where: Base-Base interactions energy: -1691.898 where: short stacking energy: -686.913 Base-Backbone interact. energy: -7.126 local terms energy: -730.414571 where: bonds (distance) C4'-P energy: -143.601 bonds (distance) P-C4' energy: -138.442 flat angles C4'-P-C4' energy: -156.700 flat angles P-C4'-P energy: -107.245 tors. eta vs tors. theta energy: -184.426 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: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2299.138724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.138724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.138724 (E_RNA) where: Base-Base interactions energy: -1641.118 where: short stacking energy: -659.686 Base-Backbone interact. energy: -0.112 local terms energy: -657.908883 where: bonds (distance) C4'-P energy: -110.152 bonds (distance) P-C4' energy: -136.921 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -86.730 tors. eta vs tors. theta energy: -175.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2197.806741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.806741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.806741 (E_RNA) where: Base-Base interactions energy: -1528.125 where: short stacking energy: -657.358 Base-Backbone interact. energy: -1.067 local terms energy: -668.614758 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -129.918 flat angles C4'-P-C4' energy: -146.230 flat angles P-C4'-P energy: -87.149 tors. eta vs tors. theta energy: -184.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2097.179295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.179295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.179295 (E_RNA) where: Base-Base interactions energy: -1458.821 where: short stacking energy: -600.453 Base-Backbone interact. energy: 7.199 local terms energy: -645.557890 where: bonds (distance) C4'-P energy: -125.178 bonds (distance) P-C4' energy: -121.636 flat angles C4'-P-C4' energy: -136.290 flat angles P-C4'-P energy: -95.324 tors. eta vs tors. theta energy: -167.130 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: 5, replica: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1936.250798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.250798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.250798 (E_RNA) where: Base-Base interactions energy: -1305.546 where: short stacking energy: -545.122 Base-Backbone interact. energy: -4.253 local terms energy: -626.451848 where: bonds (distance) C4'-P energy: -120.325 bonds (distance) P-C4' energy: -118.574 flat angles C4'-P-C4' energy: -150.455 flat angles P-C4'-P energy: -100.734 tors. eta vs tors. theta energy: -136.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1803.799588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.799588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.799588 (E_RNA) where: Base-Base interactions energy: -1257.397 where: short stacking energy: -536.511 Base-Backbone interact. energy: -2.536 local terms energy: -543.866434 where: bonds (distance) C4'-P energy: -107.306 bonds (distance) P-C4' energy: -113.086 flat angles C4'-P-C4' energy: -120.588 flat angles P-C4'-P energy: -70.274 tors. eta vs tors. theta energy: -132.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1653.588827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.588827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.588827 (E_RNA) where: Base-Base interactions energy: -1121.275 where: short stacking energy: -487.632 Base-Backbone interact. energy: -0.780 local terms energy: -531.533759 where: bonds (distance) C4'-P energy: -108.813 bonds (distance) P-C4' energy: -109.609 flat angles C4'-P-C4' energy: -133.303 flat angles P-C4'-P energy: -67.794 tors. eta vs tors. theta energy: -112.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1322.035715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.035715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.035715 (E_RNA) where: Base-Base interactions energy: -847.544 where: short stacking energy: -367.774 Base-Backbone interact. energy: -0.038 local terms energy: -474.453786 where: bonds (distance) C4'-P energy: -101.823 bonds (distance) P-C4' energy: -116.186 flat angles C4'-P-C4' energy: -107.787 flat angles P-C4'-P energy: -80.367 tors. eta vs tors. theta energy: -68.290 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: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1254.629106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.629106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.629106 (E_RNA) where: Base-Base interactions energy: -792.724 where: short stacking energy: -376.866 Base-Backbone interact. energy: -1.294 local terms energy: -460.611330 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -125.588 flat angles C4'-P-C4' energy: -114.883 flat angles P-C4'-P energy: -49.483 tors. eta vs tors. theta energy: -75.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -846.364057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.364057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.364057 (E_RNA) where: Base-Base interactions energy: -454.390 where: short stacking energy: -238.580 Base-Backbone interact. energy: -0.898 local terms energy: -391.076028 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -98.749 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -7.235 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2426.027833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.027833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.027833 (E_RNA) where: Base-Base interactions energy: -1718.142 where: short stacking energy: -702.247 Base-Backbone interact. energy: -4.398 local terms energy: -703.487312 where: bonds (distance) C4'-P energy: -125.623 bonds (distance) P-C4' energy: -129.399 flat angles C4'-P-C4' energy: -166.413 flat angles P-C4'-P energy: -101.764 tors. eta vs tors. theta energy: -180.288 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: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2313.236897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.236897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.236897 (E_RNA) where: Base-Base interactions energy: -1625.528 where: short stacking energy: -668.891 Base-Backbone interact. energy: -2.692 local terms energy: -685.017850 where: bonds (distance) C4'-P energy: -131.183 bonds (distance) P-C4' energy: -135.148 flat angles C4'-P-C4' energy: -152.858 flat angles P-C4'-P energy: -95.743 tors. eta vs tors. theta energy: -170.086 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: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2175.665671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.665671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.665671 (E_RNA) where: Base-Base interactions energy: -1540.971 where: short stacking energy: -620.625 Base-Backbone interact. energy: -0.028 local terms energy: -634.666680 where: bonds (distance) C4'-P energy: -123.669 bonds (distance) P-C4' energy: -123.737 flat angles C4'-P-C4' energy: -134.728 flat angles P-C4'-P energy: -82.880 tors. eta vs tors. theta energy: -169.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2099.087463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.087463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.087463 (E_RNA) where: Base-Base interactions energy: -1496.632 where: short stacking energy: -588.810 Base-Backbone interact. energy: 3.014 local terms energy: -605.469544 where: bonds (distance) C4'-P energy: -94.284 bonds (distance) P-C4' energy: -126.852 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -75.004 tors. eta vs tors. theta energy: -169.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1935.928325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.928325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.928325 (E_RNA) where: Base-Base interactions energy: -1352.397 where: short stacking energy: -577.889 Base-Backbone interact. energy: -0.670 local terms energy: -582.861846 where: bonds (distance) C4'-P energy: -112.961 bonds (distance) P-C4' energy: -111.179 flat angles C4'-P-C4' energy: -129.210 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -151.306 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: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1812.649813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.649813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.649813 (E_RNA) where: Base-Base interactions energy: -1198.518 where: short stacking energy: -533.650 Base-Backbone interact. energy: 0.089 local terms energy: -614.221113 where: bonds (distance) C4'-P energy: -121.159 bonds (distance) P-C4' energy: -130.101 flat angles C4'-P-C4' energy: -132.545 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -143.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1627.362037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.362037 (E_RNA) where: Base-Base interactions energy: -1105.566 where: short stacking energy: -487.341 Base-Backbone interact. energy: -2.928 local terms energy: -518.868398 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -114.386 flat angles C4'-P-C4' energy: -104.188 flat angles P-C4'-P energy: -82.937 tors. eta vs tors. theta energy: -114.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1365.539779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.539779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.539779 (E_RNA) where: Base-Base interactions energy: -910.633 where: short stacking energy: -423.660 Base-Backbone interact. energy: 4.586 local terms energy: -459.492708 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -110.879 flat angles C4'-P-C4' energy: -114.481 flat angles P-C4'-P energy: -50.986 tors. eta vs tors. theta energy: -76.061 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: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1195.754643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.754643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.754643 (E_RNA) where: Base-Base interactions energy: -786.516 where: short stacking energy: -345.957 Base-Backbone interact. energy: 0.818 local terms energy: -410.055806 where: bonds (distance) C4'-P energy: -108.170 bonds (distance) P-C4' energy: -99.629 flat angles C4'-P-C4' energy: -91.703 flat angles P-C4'-P energy: -75.486 tors. eta vs tors. theta energy: -35.069 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -762.082060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.082060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.082060 (E_RNA) where: Base-Base interactions energy: -388.924 where: short stacking energy: -211.561 Base-Backbone interact. energy: 5.358 local terms energy: -378.515940 where: bonds (distance) C4'-P energy: -114.688 bonds (distance) P-C4' energy: -83.366 flat angles C4'-P-C4' energy: -97.866 flat angles P-C4'-P energy: -65.663 tors. eta vs tors. theta energy: -16.932 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: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2416.249663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.249663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.249663 (E_RNA) where: Base-Base interactions energy: -1708.916 where: short stacking energy: -698.611 Base-Backbone interact. energy: -1.021 local terms energy: -706.312398 where: bonds (distance) C4'-P energy: -137.023 bonds (distance) P-C4' energy: -135.868 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -180.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2310.104684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.104684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.104684 (E_RNA) where: Base-Base interactions energy: -1621.243 where: short stacking energy: -682.287 Base-Backbone interact. energy: -3.045 local terms energy: -685.816249 where: bonds (distance) C4'-P energy: -135.174 bonds (distance) P-C4' energy: -117.039 flat angles C4'-P-C4' energy: -152.273 flat angles P-C4'-P energy: -97.327 tors. eta vs tors. theta energy: -184.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2213.876633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.876633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.876633 (E_RNA) where: Base-Base interactions energy: -1537.597 where: short stacking energy: -649.193 Base-Backbone interact. energy: -3.894 local terms energy: -672.385188 where: bonds (distance) C4'-P energy: -131.195 bonds (distance) P-C4' energy: -121.706 flat angles C4'-P-C4' energy: -143.371 flat angles P-C4'-P energy: -90.709 tors. eta vs tors. theta energy: -185.405 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: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2075.566963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.566963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.566963 (E_RNA) where: Base-Base interactions energy: -1448.595 where: short stacking energy: -575.131 Base-Backbone interact. energy: -3.088 local terms energy: -623.883366 where: bonds (distance) C4'-P energy: -103.779 bonds (distance) P-C4' energy: -132.938 flat angles C4'-P-C4' energy: -141.518 flat angles P-C4'-P energy: -84.412 tors. eta vs tors. theta energy: -161.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1898.517800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.517800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.517800 (E_RNA) where: Base-Base interactions energy: -1315.163 where: short stacking energy: -524.447 Base-Backbone interact. energy: 1.845 local terms energy: -585.198966 where: bonds (distance) C4'-P energy: -117.220 bonds (distance) P-C4' energy: -120.342 flat angles C4'-P-C4' energy: -130.567 flat angles P-C4'-P energy: -81.301 tors. eta vs tors. theta energy: -135.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1820.392532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.392532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.392532 (E_RNA) where: Base-Base interactions energy: -1220.314 where: short stacking energy: -540.095 Base-Backbone interact. energy: -2.798 local terms energy: -597.280127 where: bonds (distance) C4'-P energy: -114.325 bonds (distance) P-C4' energy: -127.205 flat angles C4'-P-C4' energy: -137.022 flat angles P-C4'-P energy: -71.323 tors. eta vs tors. theta energy: -147.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1586.294575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.294575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.294575 (E_RNA) where: Base-Base interactions energy: -1044.932 where: short stacking energy: -453.407 Base-Backbone interact. energy: -0.301 local terms energy: -541.062082 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -137.093 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -108.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1361.290940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.290940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.290940 (E_RNA) where: Base-Base interactions energy: -898.864 where: short stacking energy: -377.364 Base-Backbone interact. energy: 0.445 local terms energy: -462.871613 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -119.892 flat angles C4'-P-C4' energy: -104.131 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -73.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1152.052393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.052393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.052393 (E_RNA) where: Base-Base interactions energy: -730.639 where: short stacking energy: -324.204 Base-Backbone interact. energy: -3.489 local terms energy: -417.924718 where: bonds (distance) C4'-P energy: -113.213 bonds (distance) P-C4' energy: -97.650 flat angles C4'-P-C4' energy: -102.517 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -52.637 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: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -726.190445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.190445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.190445 (E_RNA) where: Base-Base interactions energy: -360.481 where: short stacking energy: -229.103 Base-Backbone interact. energy: 0.506 local terms energy: -366.215648 where: bonds (distance) C4'-P energy: -90.595 bonds (distance) P-C4' energy: -107.679 flat angles C4'-P-C4' energy: -89.255 flat angles P-C4'-P energy: -72.105 tors. eta vs tors. theta energy: -6.581 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: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2416.691064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.691064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.691064 (E_RNA) where: Base-Base interactions energy: -1716.159 where: short stacking energy: -716.339 Base-Backbone interact. energy: -2.290 local terms energy: -698.241594 where: bonds (distance) C4'-P energy: -146.878 bonds (distance) P-C4' energy: -109.720 flat angles C4'-P-C4' energy: -149.712 flat angles P-C4'-P energy: -96.072 tors. eta vs tors. theta energy: -195.860 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: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2320.761245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.761245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.761245 (E_RNA) where: Base-Base interactions energy: -1629.280 where: short stacking energy: -667.910 Base-Backbone interact. energy: 4.159 local terms energy: -695.640269 where: bonds (distance) C4'-P energy: -128.243 bonds (distance) P-C4' energy: -132.774 flat angles C4'-P-C4' energy: -139.977 flat angles P-C4'-P energy: -111.258 tors. eta vs tors. theta energy: -183.389 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: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2214.319638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.319638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.319638 (E_RNA) where: Base-Base interactions energy: -1551.273 where: short stacking energy: -656.337 Base-Backbone interact. energy: -2.287 local terms energy: -660.759871 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -111.518 flat angles C4'-P-C4' energy: -150.079 flat angles P-C4'-P energy: -94.206 tors. eta vs tors. theta energy: -179.122 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: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2089.298483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.298483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.298483 (E_RNA) where: Base-Base interactions energy: -1488.852 where: short stacking energy: -596.282 Base-Backbone interact. energy: -1.177 local terms energy: -599.269235 where: bonds (distance) C4'-P energy: -98.187 bonds (distance) P-C4' energy: -107.716 flat angles C4'-P-C4' energy: -144.569 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -158.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1933.051647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.051647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.051647 (E_RNA) where: Base-Base interactions energy: -1330.479 where: short stacking energy: -574.454 Base-Backbone interact. energy: -0.685 local terms energy: -601.887714 where: bonds (distance) C4'-P energy: -127.419 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -131.305 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -144.399 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: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1774.269355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.269355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.269355 (E_RNA) where: Base-Base interactions energy: -1213.645 where: short stacking energy: -526.047 Base-Backbone interact. energy: -1.733 local terms energy: -558.891148 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -125.540 flat angles P-C4'-P energy: -84.597 tors. eta vs tors. theta energy: -127.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1619.137179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.137179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.137179 (E_RNA) where: Base-Base interactions energy: -1110.918 where: short stacking energy: -459.973 Base-Backbone interact. energy: -0.234 local terms energy: -507.985539 where: bonds (distance) C4'-P energy: -99.960 bonds (distance) P-C4' energy: -115.928 flat angles C4'-P-C4' energy: -116.421 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -96.748 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: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1306.592811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.592811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.592811 (E_RNA) where: Base-Base interactions energy: -847.641 where: short stacking energy: -385.151 Base-Backbone interact. energy: 1.393 local terms energy: -460.344989 where: bonds (distance) C4'-P energy: -95.689 bonds (distance) P-C4' energy: -114.320 flat angles C4'-P-C4' energy: -108.966 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -86.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1125.458502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.458502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.458502 (E_RNA) where: Base-Base interactions energy: -710.965 where: short stacking energy: -320.422 Base-Backbone interact. energy: -3.767 local terms energy: -410.726579 where: bonds (distance) C4'-P energy: -96.736 bonds (distance) P-C4' energy: -124.609 flat angles C4'-P-C4' energy: -102.932 flat angles P-C4'-P energy: -57.021 tors. eta vs tors. theta energy: -29.429 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: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -735.075785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.075785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.075785 (E_RNA) where: Base-Base interactions energy: -418.682 where: short stacking energy: -238.061 Base-Backbone interact. energy: -0.070 local terms energy: -316.324160 where: bonds (distance) C4'-P energy: -95.716 bonds (distance) P-C4' energy: -97.857 flat angles C4'-P-C4' energy: -80.917 flat angles P-C4'-P energy: -47.043 tors. eta vs tors. theta energy: 5.208 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2410.933956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.933956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.933956 (E_RNA) where: Base-Base interactions energy: -1692.770 where: short stacking energy: -691.723 Base-Backbone interact. energy: -3.586 local terms energy: -714.578599 where: bonds (distance) C4'-P energy: -141.533 bonds (distance) P-C4' energy: -123.454 flat angles C4'-P-C4' energy: -146.038 flat angles P-C4'-P energy: -112.872 tors. eta vs tors. theta energy: -190.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2328.953083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.953083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.953083 (E_RNA) where: Base-Base interactions energy: -1648.709 where: short stacking energy: -692.951 Base-Backbone interact. energy: 4.021 local terms energy: -684.264647 where: bonds (distance) C4'-P energy: -124.285 bonds (distance) P-C4' energy: -126.578 flat angles C4'-P-C4' energy: -150.803 flat angles P-C4'-P energy: -97.364 tors. eta vs tors. theta energy: -185.234 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: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2216.227194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.227194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.227194 (E_RNA) where: Base-Base interactions energy: -1536.009 where: short stacking energy: -652.127 Base-Backbone interact. energy: -2.140 local terms energy: -678.078157 where: bonds (distance) C4'-P energy: -136.020 bonds (distance) P-C4' energy: -131.449 flat angles C4'-P-C4' energy: -145.156 flat angles P-C4'-P energy: -90.380 tors. eta vs tors. theta energy: -175.073 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: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2130.099382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.099382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.099382 (E_RNA) where: Base-Base interactions energy: -1502.662 where: short stacking energy: -609.576 Base-Backbone interact. energy: 0.051 local terms energy: -627.488506 where: bonds (distance) C4'-P energy: -121.997 bonds (distance) P-C4' energy: -106.960 flat angles C4'-P-C4' energy: -142.600 flat angles P-C4'-P energy: -81.837 tors. eta vs tors. theta energy: -174.094 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: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1940.951147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.951147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.951147 (E_RNA) where: Base-Base interactions energy: -1347.165 where: short stacking energy: -567.655 Base-Backbone interact. energy: -0.162 local terms energy: -593.624579 where: bonds (distance) C4'-P energy: -121.818 bonds (distance) P-C4' energy: -107.108 flat angles C4'-P-C4' energy: -137.257 flat angles P-C4'-P energy: -77.019 tors. eta vs tors. theta energy: -150.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1792.862943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.862943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.862943 (E_RNA) where: Base-Base interactions energy: -1229.575 where: short stacking energy: -538.713 Base-Backbone interact. energy: 0.058 local terms energy: -563.346637 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -115.950 flat angles C4'-P-C4' energy: -140.307 flat angles P-C4'-P energy: -65.219 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: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1614.763714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.763714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.763714 (E_RNA) where: Base-Base interactions energy: -1095.348 where: short stacking energy: -481.856 Base-Backbone interact. energy: -0.270 local terms energy: -519.146522 where: bonds (distance) C4'-P energy: -120.172 bonds (distance) P-C4' energy: -107.674 flat angles C4'-P-C4' energy: -116.077 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -107.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1352.513032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.513032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.513032 (E_RNA) where: Base-Base interactions energy: -855.799 where: short stacking energy: -381.887 Base-Backbone interact. energy: -0.974 local terms energy: -495.739806 where: bonds (distance) C4'-P energy: -91.200 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -127.849 flat angles P-C4'-P energy: -71.169 tors. eta vs tors. theta energy: -84.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1127.464715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.464715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.464715 (E_RNA) where: Base-Base interactions energy: -693.202 where: short stacking energy: -317.174 Base-Backbone interact. energy: -2.744 local terms energy: -431.518361 where: bonds (distance) C4'-P energy: -96.133 bonds (distance) P-C4' energy: -121.459 flat angles C4'-P-C4' energy: -106.427 flat angles P-C4'-P energy: -53.155 tors. eta vs tors. theta energy: -54.343 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: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -797.555028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.555028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.555028 (E_RNA) where: Base-Base interactions energy: -429.419 where: short stacking energy: -249.106 Base-Backbone interact. energy: -1.026 local terms energy: -367.110157 where: bonds (distance) C4'-P energy: -81.692 bonds (distance) P-C4' energy: -127.134 flat angles C4'-P-C4' energy: -96.571 flat angles P-C4'-P energy: -54.479 tors. eta vs tors. theta energy: -7.235 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: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -2385.167124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.167124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.167124 (E_RNA) where: Base-Base interactions energy: -1683.505 where: short stacking energy: -708.429 Base-Backbone interact. energy: 1.795 local terms energy: -703.456898 where: bonds (distance) C4'-P energy: -126.215 bonds (distance) P-C4' energy: -131.962 flat angles C4'-P-C4' energy: -153.127 flat angles P-C4'-P energy: -101.418 tors. eta vs tors. theta energy: -190.734 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: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2355.805472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.805472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.805472 (E_RNA) where: Base-Base interactions energy: -1668.964 where: short stacking energy: -699.930 Base-Backbone interact. energy: -1.334 local terms energy: -685.507706 where: bonds (distance) C4'-P energy: -126.339 bonds (distance) P-C4' energy: -137.185 flat angles C4'-P-C4' energy: -134.227 flat angles P-C4'-P energy: -100.845 tors. eta vs tors. theta energy: -186.911 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: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2169.840567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.840567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.840567 (E_RNA) where: Base-Base interactions energy: -1504.869 where: short stacking energy: -617.916 Base-Backbone interact. energy: -0.698 local terms energy: -664.273555 where: bonds (distance) C4'-P energy: -123.790 bonds (distance) P-C4' energy: -122.583 flat angles C4'-P-C4' energy: -147.302 flat angles P-C4'-P energy: -98.202 tors. eta vs tors. theta energy: -172.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2094.917113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.917113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.917113 (E_RNA) where: Base-Base interactions energy: -1467.137 where: short stacking energy: -604.709 Base-Backbone interact. energy: 2.547 local terms energy: -630.326762 where: bonds (distance) C4'-P energy: -122.991 bonds (distance) P-C4' energy: -121.474 flat angles C4'-P-C4' energy: -129.885 flat angles P-C4'-P energy: -87.479 tors. eta vs tors. theta energy: -168.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1946.807669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.807669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.807669 (E_RNA) where: Base-Base interactions energy: -1345.813 where: short stacking energy: -567.001 Base-Backbone interact. energy: -3.265 local terms energy: -597.729722 where: bonds (distance) C4'-P energy: -104.634 bonds (distance) P-C4' energy: -127.872 flat angles C4'-P-C4' energy: -138.533 flat angles P-C4'-P energy: -76.720 tors. eta vs tors. theta energy: -149.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1793.304867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.304867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.304867 (E_RNA) where: Base-Base interactions energy: -1204.926 where: short stacking energy: -527.163 Base-Backbone interact. energy: -0.224 local terms energy: -588.155003 where: bonds (distance) C4'-P energy: -119.333 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -120.837 flat angles P-C4'-P energy: -79.893 tors. eta vs tors. theta energy: -146.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1679.973118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.973118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.973118 (E_RNA) where: Base-Base interactions energy: -1169.800 where: short stacking energy: -512.713 Base-Backbone interact. energy: 9.902 local terms energy: -520.075819 where: bonds (distance) C4'-P energy: -109.525 bonds (distance) P-C4' energy: -110.004 flat angles C4'-P-C4' energy: -116.702 flat angles P-C4'-P energy: -57.311 tors. eta vs tors. theta energy: -126.533 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: 10 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1351.284961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.284961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.284961 (E_RNA) where: Base-Base interactions energy: -882.413 where: short stacking energy: -398.897 Base-Backbone interact. energy: 4.065 local terms energy: -472.937644 where: bonds (distance) C4'-P energy: -98.495 bonds (distance) P-C4' energy: -112.553 flat angles C4'-P-C4' energy: -106.706 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: -87.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1097.624589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.624589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.624589 (E_RNA) where: Base-Base interactions energy: -667.116 where: short stacking energy: -303.951 Base-Backbone interact. energy: -0.134 local terms energy: -430.374936 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -108.780 flat angles C4'-P-C4' energy: -119.631 flat angles P-C4'-P energy: -58.617 tors. eta vs tors. theta energy: -46.431 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -828.303648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.303648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.303648 (E_RNA) where: Base-Base interactions energy: -471.632 where: short stacking energy: -246.178 Base-Backbone interact. energy: -0.564 local terms energy: -356.107215 where: bonds (distance) C4'-P energy: -105.810 bonds (distance) P-C4' energy: -78.415 flat angles C4'-P-C4' energy: -104.308 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -18.130 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: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2399.611763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.611763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.611763 (E_RNA) where: Base-Base interactions energy: -1715.391 where: short stacking energy: -727.429 Base-Backbone interact. energy: -2.334 local terms energy: -681.886726 where: bonds (distance) C4'-P energy: -110.304 bonds (distance) P-C4' energy: -122.801 flat angles C4'-P-C4' energy: -158.208 flat angles P-C4'-P energy: -99.319 tors. eta vs tors. theta energy: -191.255 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: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2335.526650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.526650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.526650 (E_RNA) where: Base-Base interactions energy: -1664.536 where: short stacking energy: -666.231 Base-Backbone interact. energy: -2.788 local terms energy: -668.202419 where: bonds (distance) C4'-P energy: -122.050 bonds (distance) P-C4' energy: -126.134 flat angles C4'-P-C4' energy: -155.600 flat angles P-C4'-P energy: -85.280 tors. eta vs tors. theta energy: -179.138 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: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2164.532911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.532911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.532911 (E_RNA) where: Base-Base interactions energy: -1493.830 where: short stacking energy: -623.949 Base-Backbone interact. energy: -0.744 local terms energy: -669.959616 where: bonds (distance) C4'-P energy: -123.063 bonds (distance) P-C4' energy: -133.173 flat angles C4'-P-C4' energy: -146.161 flat angles P-C4'-P energy: -87.361 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: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2086.531557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.531557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.531557 (E_RNA) where: Base-Base interactions energy: -1471.117 where: short stacking energy: -600.020 Base-Backbone interact. energy: -0.795 local terms energy: -614.619335 where: bonds (distance) C4'-P energy: -111.853 bonds (distance) P-C4' energy: -117.398 flat angles C4'-P-C4' energy: -138.414 flat angles P-C4'-P energy: -83.231 tors. eta vs tors. theta energy: -163.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1926.713192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.713192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.713192 (E_RNA) where: Base-Base interactions energy: -1329.142 where: short stacking energy: -563.366 Base-Backbone interact. energy: -2.426 local terms energy: -595.145692 where: bonds (distance) C4'-P energy: -109.573 bonds (distance) P-C4' energy: -125.110 flat angles C4'-P-C4' energy: -123.358 flat angles P-C4'-P energy: -79.975 tors. eta vs tors. theta energy: -157.129 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: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1836.460455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.460455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.460455 (E_RNA) where: Base-Base interactions energy: -1265.923 where: short stacking energy: -518.350 Base-Backbone interact. energy: 1.207 local terms energy: -571.744472 where: bonds (distance) C4'-P energy: -114.603 bonds (distance) P-C4' energy: -114.749 flat angles C4'-P-C4' energy: -130.508 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -125.557 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1697.164737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.164737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.164737 (E_RNA) where: Base-Base interactions energy: -1168.087 where: short stacking energy: -521.961 Base-Backbone interact. energy: -1.795 local terms energy: -527.282701 where: bonds (distance) C4'-P energy: -92.704 bonds (distance) P-C4' energy: -106.776 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -125.161 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: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1403.433720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.433720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.433720 (E_RNA) where: Base-Base interactions energy: -896.662 where: short stacking energy: -385.649 Base-Backbone interact. energy: -0.010 local terms energy: -506.761257 where: bonds (distance) C4'-P energy: -115.162 bonds (distance) P-C4' energy: -119.097 flat angles C4'-P-C4' energy: -125.186 flat angles P-C4'-P energy: -64.465 tors. eta vs tors. theta energy: -82.852 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: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1187.246835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.246835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.246835 (E_RNA) where: Base-Base interactions energy: -749.525 where: short stacking energy: -345.289 Base-Backbone interact. energy: 0.376 local terms energy: -438.097416 where: bonds (distance) C4'-P energy: -98.711 bonds (distance) P-C4' energy: -111.836 flat angles C4'-P-C4' energy: -113.127 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -47.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -850.536926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.536926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.536926 (E_RNA) where: Base-Base interactions energy: -453.418 where: short stacking energy: -256.194 Base-Backbone interact. energy: 0.278 local terms energy: -397.396943 where: bonds (distance) C4'-P energy: -108.676 bonds (distance) P-C4' energy: -130.105 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -23.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2401.306671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.306671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.306671 (E_RNA) where: Base-Base interactions energy: -1686.580 where: short stacking energy: -717.002 Base-Backbone interact. energy: -2.774 local terms energy: -711.952193 where: bonds (distance) C4'-P energy: -140.921 bonds (distance) P-C4' energy: -133.058 flat angles C4'-P-C4' energy: -155.849 flat angles P-C4'-P energy: -95.889 tors. eta vs tors. theta energy: -186.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2348.712245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.712245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.712245 (E_RNA) where: Base-Base interactions energy: -1669.003 where: short stacking energy: -706.490 Base-Backbone interact. energy: -1.147 local terms energy: -678.562020 where: bonds (distance) C4'-P energy: -109.122 bonds (distance) P-C4' energy: -131.003 flat angles C4'-P-C4' energy: -152.152 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -190.923 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: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2119.889039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.889039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.889039 (E_RNA) where: Base-Base interactions energy: -1497.380 where: short stacking energy: -620.979 Base-Backbone interact. energy: -2.269 local terms energy: -620.240106 where: bonds (distance) C4'-P energy: -123.037 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -130.652 flat angles P-C4'-P energy: -79.718 tors. eta vs tors. theta energy: -160.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2121.803391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.803391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.803391 (E_RNA) where: Base-Base interactions energy: -1457.388 where: short stacking energy: -620.508 Base-Backbone interact. energy: -3.081 local terms energy: -661.334007 where: bonds (distance) C4'-P energy: -122.561 bonds (distance) P-C4' energy: -120.370 flat angles C4'-P-C4' energy: -153.815 flat angles P-C4'-P energy: -92.151 tors. eta vs tors. theta energy: -172.437 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: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1907.821441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.821441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.821441 (E_RNA) where: Base-Base interactions energy: -1323.384 where: short stacking energy: -537.385 Base-Backbone interact. energy: -0.254 local terms energy: -584.183895 where: bonds (distance) C4'-P energy: -111.785 bonds (distance) P-C4' energy: -129.601 flat angles C4'-P-C4' energy: -144.479 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -121.628 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: 228 Temperature: 1.150000 Total energy: -1819.179794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.179794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.179794 (E_RNA) where: Base-Base interactions energy: -1246.121 where: short stacking energy: -530.960 Base-Backbone interact. energy: -1.959 local terms energy: -571.099968 where: bonds (distance) C4'-P energy: -120.585 bonds (distance) P-C4' energy: -108.083 flat angles C4'-P-C4' energy: -120.670 flat angles P-C4'-P energy: -88.165 tors. eta vs tors. theta energy: -133.597 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: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1660.759522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.759522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.759522 (E_RNA) where: Base-Base interactions energy: -1126.733 where: short stacking energy: -496.925 Base-Backbone interact. energy: -1.234 local terms energy: -532.792654 where: bonds (distance) C4'-P energy: -111.699 bonds (distance) P-C4' energy: -114.405 flat angles C4'-P-C4' energy: -121.859 flat angles P-C4'-P energy: -59.603 tors. eta vs tors. theta energy: -125.227 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: 8, replica: 10 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1432.586185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.586185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.586185 (E_RNA) where: Base-Base interactions energy: -948.517 where: short stacking energy: -421.403 Base-Backbone interact. energy: -0.562 local terms energy: -483.506737 where: bonds (distance) C4'-P energy: -117.781 bonds (distance) P-C4' energy: -103.011 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -68.618 tors. eta vs tors. theta energy: -97.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1331.895257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.895257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.895257 (E_RNA) where: Base-Base interactions energy: -871.068 where: short stacking energy: -391.920 Base-Backbone interact. energy: -0.945 local terms energy: -459.881992 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -106.209 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: -70.159 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: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -879.908383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.908383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.908383 (E_RNA) where: Base-Base interactions energy: -507.363 where: short stacking energy: -250.877 Base-Backbone interact. energy: 3.386 local terms energy: -375.931154 where: bonds (distance) C4'-P energy: -99.994 bonds (distance) P-C4' energy: -102.134 flat angles C4'-P-C4' energy: -97.627 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -22.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2372.108965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.108965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.108965 (E_RNA) where: Base-Base interactions energy: -1661.463 where: short stacking energy: -695.684 Base-Backbone interact. energy: -0.850 local terms energy: -709.796317 where: bonds (distance) C4'-P energy: -127.806 bonds (distance) P-C4' energy: -128.188 flat angles C4'-P-C4' energy: -162.541 flat angles P-C4'-P energy: -109.755 tors. eta vs tors. theta energy: -181.506 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: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2333.357178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.357178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.357178 (E_RNA) where: Base-Base interactions energy: -1654.414 where: short stacking energy: -674.135 Base-Backbone interact. energy: -0.419 local terms energy: -678.524796 where: bonds (distance) C4'-P energy: -126.522 bonds (distance) P-C4' energy: -124.413 flat angles C4'-P-C4' energy: -147.549 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -182.164 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: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2172.152093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.152093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.152093 (E_RNA) where: Base-Base interactions energy: -1513.813 where: short stacking energy: -613.214 Base-Backbone interact. energy: 0.506 local terms energy: -658.844750 where: bonds (distance) C4'-P energy: -129.944 bonds (distance) P-C4' energy: -119.271 flat angles C4'-P-C4' energy: -144.292 flat angles P-C4'-P energy: -82.439 tors. eta vs tors. theta energy: -182.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2094.576327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.576327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.576327 (E_RNA) where: Base-Base interactions energy: -1462.129 where: short stacking energy: -604.958 Base-Backbone interact. energy: -2.615 local terms energy: -629.832657 where: bonds (distance) C4'-P energy: -113.672 bonds (distance) P-C4' energy: -128.132 flat angles C4'-P-C4' energy: -151.326 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: -162.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1922.972121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.972121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.972121 (E_RNA) where: Base-Base interactions energy: -1354.644 where: short stacking energy: -587.402 Base-Backbone interact. energy: -2.565 local terms energy: -565.763219 where: bonds (distance) C4'-P energy: -113.856 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -125.983 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -143.921 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: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1842.385808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.385808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.385808 (E_RNA) where: Base-Base interactions energy: -1273.144 where: short stacking energy: -549.764 Base-Backbone interact. energy: -2.905 local terms energy: -566.336750 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -97.326 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: -155.245 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: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1647.101771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.101771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.101771 (E_RNA) where: Base-Base interactions energy: -1118.064 where: short stacking energy: -480.867 Base-Backbone interact. energy: -3.102 local terms energy: -525.934877 where: bonds (distance) C4'-P energy: -114.165 bonds (distance) P-C4' energy: -102.887 flat angles C4'-P-C4' energy: -125.922 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -116.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1384.446014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.446014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.446014 (E_RNA) where: Base-Base interactions energy: -914.754 where: short stacking energy: -398.081 Base-Backbone interact. energy: -1.762 local terms energy: -467.929654 where: bonds (distance) C4'-P energy: -98.974 bonds (distance) P-C4' energy: -105.069 flat angles C4'-P-C4' energy: -110.300 flat angles P-C4'-P energy: -66.764 tors. eta vs tors. theta energy: -86.823 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1213.096815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.096815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.096815 (E_RNA) where: Base-Base interactions energy: -777.208 where: short stacking energy: -336.953 Base-Backbone interact. energy: -4.057 local terms energy: -431.831783 where: bonds (distance) C4'-P energy: -117.189 bonds (distance) P-C4' energy: -121.126 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -34.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -868.080156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.080156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.080156 (E_RNA) where: Base-Base interactions energy: -509.186 where: short stacking energy: -274.102 Base-Backbone interact. energy: 6.429 local terms energy: -365.323358 where: bonds (distance) C4'-P energy: -95.278 bonds (distance) P-C4' energy: -89.631 flat angles C4'-P-C4' energy: -120.493 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -18.747 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: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2388.588367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.588367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.588367 (E_RNA) where: Base-Base interactions energy: -1688.811 where: short stacking energy: -694.666 Base-Backbone interact. energy: -2.868 local terms energy: -696.909072 where: bonds (distance) C4'-P energy: -132.352 bonds (distance) P-C4' energy: -129.918 flat angles C4'-P-C4' energy: -152.383 flat angles P-C4'-P energy: -99.788 tors. eta vs tors. theta energy: -182.468 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2364.406084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.406084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.406084 (E_RNA) where: Base-Base interactions energy: -1655.858 where: short stacking energy: -702.406 Base-Backbone interact. energy: -2.832 local terms energy: -705.715432 where: bonds (distance) C4'-P energy: -121.578 bonds (distance) P-C4' energy: -134.485 flat angles C4'-P-C4' energy: -146.007 flat angles P-C4'-P energy: -106.739 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: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2155.837481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.837481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.837481 (E_RNA) where: Base-Base interactions energy: -1511.522 where: short stacking energy: -610.950 Base-Backbone interact. energy: -1.740 local terms energy: -642.575025 where: bonds (distance) C4'-P energy: -107.891 bonds (distance) P-C4' energy: -135.182 flat angles C4'-P-C4' energy: -139.045 flat angles P-C4'-P energy: -90.820 tors. eta vs tors. theta energy: -169.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2105.756172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.756172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.756172 (E_RNA) where: Base-Base interactions energy: -1481.150 where: short stacking energy: -621.199 Base-Backbone interact. energy: -1.570 local terms energy: -623.036178 where: bonds (distance) C4'-P energy: -135.146 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -134.374 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -161.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1934.315267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.315267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.315267 (E_RNA) where: Base-Base interactions energy: -1341.221 where: short stacking energy: -597.611 Base-Backbone interact. energy: 3.918 local terms energy: -597.012693 where: bonds (distance) C4'-P energy: -112.842 bonds (distance) P-C4' energy: -118.111 flat angles C4'-P-C4' energy: -132.319 flat angles P-C4'-P energy: -85.065 tors. eta vs tors. theta energy: -148.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1856.528114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.528114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.528114 (E_RNA) where: Base-Base interactions energy: -1273.992 where: short stacking energy: -570.253 Base-Backbone interact. energy: -4.442 local terms energy: -578.093922 where: bonds (distance) C4'-P energy: -108.286 bonds (distance) P-C4' energy: -111.511 flat angles C4'-P-C4' energy: -122.655 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -158.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1656.157662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.157662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.157662 (E_RNA) where: Base-Base interactions energy: -1137.786 where: short stacking energy: -503.448 Base-Backbone interact. energy: 2.668 local terms energy: -521.039622 where: bonds (distance) C4'-P energy: -104.357 bonds (distance) P-C4' energy: -112.244 flat angles C4'-P-C4' energy: -106.643 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -114.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1421.640619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.640619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.640619 (E_RNA) where: Base-Base interactions energy: -925.965 where: short stacking energy: -366.100 Base-Backbone interact. energy: -0.174 local terms energy: -495.501788 where: bonds (distance) C4'-P energy: -117.771 bonds (distance) P-C4' energy: -115.097 flat angles C4'-P-C4' energy: -118.245 flat angles P-C4'-P energy: -62.943 tors. eta vs tors. theta energy: -81.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1238.647076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.647076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.647076 (E_RNA) where: Base-Base interactions energy: -800.542 where: short stacking energy: -370.036 Base-Backbone interact. energy: -2.697 local terms energy: -435.408609 where: bonds (distance) C4'-P energy: -97.570 bonds (distance) P-C4' energy: -116.043 flat angles C4'-P-C4' energy: -106.186 flat angles P-C4'-P energy: -48.815 tors. eta vs tors. theta energy: -66.794 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: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -825.065853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.065853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.065853 (E_RNA) where: Base-Base interactions energy: -452.002 where: short stacking energy: -247.676 Base-Backbone interact. energy: -0.257 local terms energy: -372.807003 where: bonds (distance) C4'-P energy: -93.849 bonds (distance) P-C4' energy: -101.831 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -56.312 tors. eta vs tors. theta energy: -27.491 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: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2411.427589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.427589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.427589 (E_RNA) where: Base-Base interactions energy: -1679.847 where: short stacking energy: -715.322 Base-Backbone interact. energy: -3.690 local terms energy: -727.890559 where: bonds (distance) C4'-P energy: -133.952 bonds (distance) P-C4' energy: -135.014 flat angles C4'-P-C4' energy: -154.837 flat angles P-C4'-P energy: -109.205 tors. eta vs tors. theta energy: -194.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2327.170093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.170093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.170093 (E_RNA) where: Base-Base interactions energy: -1674.851 where: short stacking energy: -685.347 Base-Backbone interact. energy: -2.581 local terms energy: -649.738145 where: bonds (distance) C4'-P energy: -117.120 bonds (distance) P-C4' energy: -122.471 flat angles C4'-P-C4' energy: -140.244 flat angles P-C4'-P energy: -94.062 tors. eta vs tors. theta energy: -175.841 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2162.688705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.688705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.688705 (E_RNA) where: Base-Base interactions energy: -1513.543 where: short stacking energy: -602.671 Base-Backbone interact. energy: -3.591 local terms energy: -645.555203 where: bonds (distance) C4'-P energy: -114.640 bonds (distance) P-C4' energy: -125.312 flat angles C4'-P-C4' energy: -137.015 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -176.959 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: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2142.455189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.455189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.455189 (E_RNA) where: Base-Base interactions energy: -1498.743 where: short stacking energy: -633.962 Base-Backbone interact. energy: -3.015 local terms energy: -640.697680 where: bonds (distance) C4'-P energy: -114.642 bonds (distance) P-C4' energy: -122.949 flat angles C4'-P-C4' energy: -135.847 flat angles P-C4'-P energy: -92.632 tors. eta vs tors. theta energy: -174.628 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: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1927.506221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.506221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.506221 (E_RNA) where: Base-Base interactions energy: -1318.402 where: short stacking energy: -580.753 Base-Backbone interact. energy: -2.587 local terms energy: -606.517240 where: bonds (distance) C4'-P energy: -112.219 bonds (distance) P-C4' energy: -104.471 flat angles C4'-P-C4' energy: -146.338 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -154.371 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: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1863.056681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.056681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.056681 (E_RNA) where: Base-Base interactions energy: -1268.117 where: short stacking energy: -540.853 Base-Backbone interact. energy: -1.536 local terms energy: -593.403796 where: bonds (distance) C4'-P energy: -104.961 bonds (distance) P-C4' energy: -120.723 flat angles C4'-P-C4' energy: -120.570 flat angles P-C4'-P energy: -92.726 tors. eta vs tors. theta energy: -154.423 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: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1654.205885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.205885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.205885 (E_RNA) where: Base-Base interactions energy: -1122.201 where: short stacking energy: -502.642 Base-Backbone interact. energy: 2.128 local terms energy: -534.133015 where: bonds (distance) C4'-P energy: -79.737 bonds (distance) P-C4' energy: -124.139 flat angles C4'-P-C4' energy: -116.233 flat angles P-C4'-P energy: -84.625 tors. eta vs tors. theta energy: -129.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1396.923331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.923331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.923331 (E_RNA) where: Base-Base interactions energy: -939.219 where: short stacking energy: -417.110 Base-Backbone interact. energy: 0.168 local terms energy: -457.872542 where: bonds (distance) C4'-P energy: -102.833 bonds (distance) P-C4' energy: -97.052 flat angles C4'-P-C4' energy: -108.678 flat angles P-C4'-P energy: -67.658 tors. eta vs tors. theta energy: -81.651 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: 9, replica: 7 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1265.252458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.252458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.252458 (E_RNA) where: Base-Base interactions energy: -848.628 where: short stacking energy: -385.790 Base-Backbone interact. energy: 1.914 local terms energy: -418.538361 where: bonds (distance) C4'-P energy: -92.452 bonds (distance) P-C4' energy: -98.157 flat angles C4'-P-C4' energy: -93.387 flat angles P-C4'-P energy: -57.184 tors. eta vs tors. theta energy: -77.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -821.477118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.477118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.477118 (E_RNA) where: Base-Base interactions energy: -433.575 where: short stacking energy: -242.286 Base-Backbone interact. energy: -2.005 local terms energy: -385.897460 where: bonds (distance) C4'-P energy: -113.862 bonds (distance) P-C4' energy: -113.792 flat angles C4'-P-C4' energy: -103.645 flat angles P-C4'-P energy: -45.998 tors. eta vs tors. theta energy: -8.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2396.072513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.072513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.072513 (E_RNA) where: Base-Base interactions energy: -1668.384 where: short stacking energy: -701.375 Base-Backbone interact. energy: -1.595 local terms energy: -726.094089 where: bonds (distance) C4'-P energy: -131.618 bonds (distance) P-C4' energy: -140.237 flat angles C4'-P-C4' energy: -160.112 flat angles P-C4'-P energy: -96.408 tors. eta vs tors. theta energy: -197.719 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: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2344.188215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.188215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.188215 (E_RNA) where: Base-Base interactions energy: -1660.736 where: short stacking energy: -681.665 Base-Backbone interact. energy: 0.802 local terms energy: -684.254749 where: bonds (distance) C4'-P energy: -124.546 bonds (distance) P-C4' energy: -138.106 flat angles C4'-P-C4' energy: -131.508 flat angles P-C4'-P energy: -106.709 tors. eta vs tors. theta energy: -183.387 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: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2159.958891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.958891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.958891 (E_RNA) where: Base-Base interactions energy: -1517.657 where: short stacking energy: -641.945 Base-Backbone interact. energy: -1.443 local terms energy: -640.859140 where: bonds (distance) C4'-P energy: -127.321 bonds (distance) P-C4' energy: -111.253 flat angles C4'-P-C4' energy: -130.133 flat angles P-C4'-P energy: -101.469 tors. eta vs tors. theta energy: -170.684 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: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2148.761516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.761516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.761516 (E_RNA) where: Base-Base interactions energy: -1528.441 where: short stacking energy: -627.376 Base-Backbone interact. energy: -3.620 local terms energy: -616.700346 where: bonds (distance) C4'-P energy: -105.660 bonds (distance) P-C4' energy: -117.163 flat angles C4'-P-C4' energy: -135.044 flat angles P-C4'-P energy: -78.325 tors. eta vs tors. theta energy: -180.509 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: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1933.598660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.598660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.598660 (E_RNA) where: Base-Base interactions energy: -1309.541 where: short stacking energy: -563.530 Base-Backbone interact. energy: -3.005 local terms energy: -621.053019 where: bonds (distance) C4'-P energy: -110.191 bonds (distance) P-C4' energy: -126.460 flat angles C4'-P-C4' energy: -142.705 flat angles P-C4'-P energy: -91.558 tors. eta vs tors. theta energy: -150.138 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: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1859.751695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.751695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.751695 (E_RNA) where: Base-Base interactions energy: -1296.367 where: short stacking energy: -549.512 Base-Backbone interact. energy: -2.492 local terms energy: -560.892076 where: bonds (distance) C4'-P energy: -96.809 bonds (distance) P-C4' energy: -113.914 flat angles C4'-P-C4' energy: -138.059 flat angles P-C4'-P energy: -69.897 tors. eta vs tors. theta energy: -142.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1628.918135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.918135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.918135 (E_RNA) where: Base-Base interactions energy: -1081.803 where: short stacking energy: -486.860 Base-Backbone interact. energy: 0.263 local terms energy: -547.378421 where: bonds (distance) C4'-P energy: -107.341 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -121.043 flat angles P-C4'-P energy: -68.566 tors. eta vs tors. theta energy: -129.458 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: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1420.073979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.073979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.073979 (E_RNA) where: Base-Base interactions energy: -944.952 where: short stacking energy: -418.022 Base-Backbone interact. energy: -1.169 local terms energy: -473.953063 where: bonds (distance) C4'-P energy: -113.243 bonds (distance) P-C4' energy: -112.085 flat angles C4'-P-C4' energy: -104.094 flat angles P-C4'-P energy: -59.586 tors. eta vs tors. theta energy: -84.945 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: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1373.050045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.050045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.050045 (E_RNA) where: Base-Base interactions energy: -866.348 where: short stacking energy: -386.726 Base-Backbone interact. energy: -1.624 local terms energy: -505.078087 where: bonds (distance) C4'-P energy: -114.296 bonds (distance) P-C4' energy: -128.438 flat angles C4'-P-C4' energy: -101.089 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -83.099 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: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -840.570399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.570399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.570399 (E_RNA) where: Base-Base interactions energy: -491.637 where: short stacking energy: -241.812 Base-Backbone interact. energy: -1.865 local terms energy: -347.068786 where: bonds (distance) C4'-P energy: -92.820 bonds (distance) P-C4' energy: -112.183 flat angles C4'-P-C4' energy: -91.095 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: -6.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2401.133563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.133563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.133563 (E_RNA) where: Base-Base interactions energy: -1692.725 where: short stacking energy: -687.783 Base-Backbone interact. energy: -2.870 local terms energy: -705.539059 where: bonds (distance) C4'-P energy: -123.636 bonds (distance) P-C4' energy: -133.401 flat angles C4'-P-C4' energy: -154.278 flat angles P-C4'-P energy: -104.560 tors. eta vs tors. theta energy: -189.664 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: 233 Temperature: 0.950000 Total energy: -2319.800264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.800264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.800264 (E_RNA) where: Base-Base interactions energy: -1646.315 where: short stacking energy: -680.594 Base-Backbone interact. energy: -4.312 local terms energy: -669.173609 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -123.395 flat angles C4'-P-C4' energy: -134.973 flat angles P-C4'-P energy: -103.722 tors. eta vs tors. theta energy: -183.301 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: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2146.876753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.876753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.876753 (E_RNA) where: Base-Base interactions energy: -1502.687 where: short stacking energy: -621.656 Base-Backbone interact. energy: -1.578 local terms energy: -642.611599 where: bonds (distance) C4'-P energy: -117.711 bonds (distance) P-C4' energy: -124.717 flat angles C4'-P-C4' energy: -135.168 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -167.295 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: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2132.912779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.912779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.912779 (E_RNA) where: Base-Base interactions energy: -1475.365 where: short stacking energy: -592.605 Base-Backbone interact. energy: 1.125 local terms energy: -658.673712 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -133.323 flat angles C4'-P-C4' energy: -136.415 flat angles P-C4'-P energy: -95.829 tors. eta vs tors. theta energy: -162.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1912.119661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.119661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.119661 (E_RNA) where: Base-Base interactions energy: -1318.204 where: short stacking energy: -552.844 Base-Backbone interact. energy: -1.230 local terms energy: -592.685668 where: bonds (distance) C4'-P energy: -122.866 bonds (distance) P-C4' energy: -111.918 flat angles C4'-P-C4' energy: -123.215 flat angles P-C4'-P energy: -88.396 tors. eta vs tors. theta energy: -146.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1814.371929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.371929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.371929 (E_RNA) where: Base-Base interactions energy: -1233.526 where: short stacking energy: -533.941 Base-Backbone interact. energy: -1.372 local terms energy: -579.474304 where: bonds (distance) C4'-P energy: -120.062 bonds (distance) P-C4' energy: -125.543 flat angles C4'-P-C4' energy: -125.869 flat angles P-C4'-P energy: -66.178 tors. eta vs tors. theta energy: -141.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1593.484330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.484330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.484330 (E_RNA) where: Base-Base interactions energy: -1095.608 where: short stacking energy: -476.245 Base-Backbone interact. energy: -0.104 local terms energy: -497.772585 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -101.608 flat angles C4'-P-C4' energy: -113.403 flat angles P-C4'-P energy: -69.445 tors. eta vs tors. theta energy: -97.618 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: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1394.120100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.120100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.120100 (E_RNA) where: Base-Base interactions energy: -932.598 where: short stacking energy: -429.238 Base-Backbone interact. energy: -0.796 local terms energy: -460.726243 where: bonds (distance) C4'-P energy: -88.472 bonds (distance) P-C4' energy: -112.049 flat angles C4'-P-C4' energy: -103.860 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -85.165 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: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1366.182891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.182891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.182891 (E_RNA) where: Base-Base interactions energy: -970.191 where: short stacking energy: -418.917 Base-Backbone interact. energy: 0.811 local terms energy: -396.803254 where: bonds (distance) C4'-P energy: -87.050 bonds (distance) P-C4' energy: -103.348 flat angles C4'-P-C4' energy: -84.790 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -69.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -887.797338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.797338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.797338 (E_RNA) where: Base-Base interactions energy: -515.238 where: short stacking energy: -241.979 Base-Backbone interact. energy: 0.744 local terms energy: -373.303048 where: bonds (distance) C4'-P energy: -103.442 bonds (distance) P-C4' energy: -89.051 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -23.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2403.491400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.491400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.491400 (E_RNA) where: Base-Base interactions energy: -1710.225 where: short stacking energy: -702.379 Base-Backbone interact. energy: 0.615 local terms energy: -693.881838 where: bonds (distance) C4'-P energy: -131.836 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -147.939 flat angles P-C4'-P energy: -76.782 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: 2, replica: 6 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2337.583587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.583587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.583587 (E_RNA) where: Base-Base interactions energy: -1662.197 where: short stacking energy: -693.550 Base-Backbone interact. energy: -1.975 local terms energy: -673.411751 where: bonds (distance) C4'-P energy: -123.229 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -144.068 flat angles P-C4'-P energy: -93.320 tors. eta vs tors. theta energy: -186.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2223.556409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.556409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.556409 (E_RNA) where: Base-Base interactions energy: -1576.164 where: short stacking energy: -638.979 Base-Backbone interact. energy: -0.133 local terms energy: -647.259380 where: bonds (distance) C4'-P energy: -133.552 bonds (distance) P-C4' energy: -118.058 flat angles C4'-P-C4' energy: -140.096 flat angles P-C4'-P energy: -78.994 tors. eta vs tors. theta energy: -176.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2083.626416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.626416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.626416 (E_RNA) where: Base-Base interactions energy: -1446.743 where: short stacking energy: -604.690 Base-Backbone interact. energy: -4.894 local terms energy: -631.989691 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -124.646 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -82.401 tors. eta vs tors. theta energy: -164.215 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: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1894.518934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.518934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.518934 (E_RNA) where: Base-Base interactions energy: -1300.273 where: short stacking energy: -554.558 Base-Backbone interact. energy: -2.969 local terms energy: -591.276664 where: bonds (distance) C4'-P energy: -104.978 bonds (distance) P-C4' energy: -119.094 flat angles C4'-P-C4' energy: -129.441 flat angles P-C4'-P energy: -85.592 tors. eta vs tors. theta energy: -152.171 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: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1796.568438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.568438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.568438 (E_RNA) where: Base-Base interactions energy: -1222.385 where: short stacking energy: -536.931 Base-Backbone interact. energy: -1.210 local terms energy: -572.973528 where: bonds (distance) C4'-P energy: -110.639 bonds (distance) P-C4' energy: -124.953 flat angles C4'-P-C4' energy: -125.139 flat angles P-C4'-P energy: -85.046 tors. eta vs tors. theta energy: -127.197 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: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1561.962311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.962311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.962311 (E_RNA) where: Base-Base interactions energy: -1052.353 where: short stacking energy: -453.503 Base-Backbone interact. energy: 0.065 local terms energy: -509.674711 where: bonds (distance) C4'-P energy: -95.023 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -131.053 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -97.717 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: 8, replica: 10 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1409.271188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.271188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.271188 (E_RNA) where: Base-Base interactions energy: -965.758 where: short stacking energy: -424.351 Base-Backbone interact. energy: 1.585 local terms energy: -445.098576 where: bonds (distance) C4'-P energy: -90.666 bonds (distance) P-C4' energy: -109.078 flat angles C4'-P-C4' energy: -111.725 flat angles P-C4'-P energy: -56.069 tors. eta vs tors. theta energy: -77.561 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: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1332.486825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.486825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.486825 (E_RNA) where: Base-Base interactions energy: -898.326 where: short stacking energy: -390.087 Base-Backbone interact. energy: -1.197 local terms energy: -432.963791 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -100.177 flat angles C4'-P-C4' energy: -102.280 flat angles P-C4'-P energy: -62.680 tors. eta vs tors. theta energy: -74.028 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: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -832.368237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.368237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.368237 (E_RNA) where: Base-Base interactions energy: -453.257 where: short stacking energy: -239.175 Base-Backbone interact. energy: -0.390 local terms energy: -378.721615 where: bonds (distance) C4'-P energy: -101.932 bonds (distance) P-C4' energy: -110.447 flat angles C4'-P-C4' energy: -84.956 flat angles P-C4'-P energy: -68.650 tors. eta vs tors. theta energy: -12.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2380.958438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.958438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.958438 (E_RNA) where: Base-Base interactions energy: -1682.376 where: short stacking energy: -709.233 Base-Backbone interact. energy: -1.034 local terms energy: -697.548326 where: bonds (distance) C4'-P energy: -140.956 bonds (distance) P-C4' energy: -134.473 flat angles C4'-P-C4' energy: -143.339 flat angles P-C4'-P energy: -93.931 tors. eta vs tors. theta energy: -184.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2330.698528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.698528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.698528 (E_RNA) where: Base-Base interactions energy: -1648.680 where: short stacking energy: -654.801 Base-Backbone interact. energy: -3.462 local terms energy: -678.556300 where: bonds (distance) C4'-P energy: -116.201 bonds (distance) P-C4' energy: -141.411 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -97.435 tors. eta vs tors. theta energy: -176.404 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: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2206.427748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.427748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.427748 (E_RNA) where: Base-Base interactions energy: -1535.081 where: short stacking energy: -635.383 Base-Backbone interact. energy: -3.216 local terms energy: -668.130815 where: bonds (distance) C4'-P energy: -123.803 bonds (distance) P-C4' energy: -121.844 flat angles C4'-P-C4' energy: -142.610 flat angles P-C4'-P energy: -95.780 tors. eta vs tors. theta energy: -184.094 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: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2071.881454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.881454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.881454 (E_RNA) where: Base-Base interactions energy: -1443.050 where: short stacking energy: -622.600 Base-Backbone interact. energy: -1.982 local terms energy: -626.849448 where: bonds (distance) C4'-P energy: -123.830 bonds (distance) P-C4' energy: -132.329 flat angles C4'-P-C4' energy: -135.678 flat angles P-C4'-P energy: -64.007 tors. eta vs tors. theta energy: -171.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1943.260229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.260229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.260229 (E_RNA) where: Base-Base interactions energy: -1325.393 where: short stacking energy: -591.372 Base-Backbone interact. energy: 0.344 local terms energy: -618.210947 where: bonds (distance) C4'-P energy: -130.526 bonds (distance) P-C4' energy: -106.351 flat angles C4'-P-C4' energy: -143.032 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -170.097 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: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1712.625058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.625058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.625058 (E_RNA) where: Base-Base interactions energy: -1154.980 where: short stacking energy: -507.765 Base-Backbone interact. energy: 4.009 local terms energy: -561.654589 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -123.209 flat angles C4'-P-C4' energy: -135.239 flat angles P-C4'-P energy: -83.208 tors. eta vs tors. theta energy: -123.241 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: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1582.216350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.216350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.216350 (E_RNA) where: Base-Base interactions energy: -1033.277 where: short stacking energy: -412.933 Base-Backbone interact. energy: -1.770 local terms energy: -547.169844 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -125.325 flat angles C4'-P-C4' energy: -118.617 flat angles P-C4'-P energy: -73.336 tors. eta vs tors. theta energy: -110.024 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: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1448.312558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.312558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.312558 (E_RNA) where: Base-Base interactions energy: -967.541 where: short stacking energy: -405.538 Base-Backbone interact. energy: 2.049 local terms energy: -482.820331 where: bonds (distance) C4'-P energy: -114.908 bonds (distance) P-C4' energy: -114.612 flat angles C4'-P-C4' energy: -118.953 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -65.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1411.568685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.568685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.568685 (E_RNA) where: Base-Base interactions energy: -932.285 where: short stacking energy: -427.195 Base-Backbone interact. energy: 1.243 local terms energy: -480.526145 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -109.363 flat angles C4'-P-C4' energy: -113.369 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: -73.499 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: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -839.770564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.770564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.770564 (E_RNA) where: Base-Base interactions energy: -427.386 where: short stacking energy: -244.557 Base-Backbone interact. energy: -0.403 local terms energy: -411.982224 where: bonds (distance) C4'-P energy: -119.835 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -101.127 flat angles P-C4'-P energy: -61.084 tors. eta vs tors. theta energy: -25.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2404.662157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.662157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.662157 (E_RNA) where: Base-Base interactions energy: -1696.340 where: short stacking energy: -697.880 Base-Backbone interact. energy: -1.641 local terms energy: -706.681402 where: bonds (distance) C4'-P energy: -127.713 bonds (distance) P-C4' energy: -139.947 flat angles C4'-P-C4' energy: -147.516 flat angles P-C4'-P energy: -96.085 tors. eta vs tors. theta energy: -195.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2339.536179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.536179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.536179 (E_RNA) where: Base-Base interactions energy: -1646.343 where: short stacking energy: -665.468 Base-Backbone interact. energy: -5.765 local terms energy: -687.428590 where: bonds (distance) C4'-P energy: -131.960 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -136.462 flat angles P-C4'-P energy: -95.912 tors. eta vs tors. theta energy: -183.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2233.347822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.347822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.347822 (E_RNA) where: Base-Base interactions energy: -1540.793 where: short stacking energy: -643.747 Base-Backbone interact. energy: -4.239 local terms energy: -688.315876 where: bonds (distance) C4'-P energy: -125.720 bonds (distance) P-C4' energy: -130.605 flat angles C4'-P-C4' energy: -150.868 flat angles P-C4'-P energy: -94.986 tors. eta vs tors. theta energy: -186.137 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: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2069.233709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.233709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.233709 (E_RNA) where: Base-Base interactions energy: -1442.336 where: short stacking energy: -601.363 Base-Backbone interact. energy: 4.587 local terms energy: -631.484178 where: bonds (distance) C4'-P energy: -106.384 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -88.334 tors. eta vs tors. theta energy: -166.670 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: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1912.169528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.169528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.169528 (E_RNA) where: Base-Base interactions energy: -1329.175 where: short stacking energy: -581.937 Base-Backbone interact. energy: 0.719 local terms energy: -583.713224 where: bonds (distance) C4'-P energy: -104.819 bonds (distance) P-C4' energy: -109.470 flat angles C4'-P-C4' energy: -143.122 flat angles P-C4'-P energy: -71.288 tors. eta vs tors. theta energy: -155.015 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: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1734.839483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.839483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.839483 (E_RNA) where: Base-Base interactions energy: -1200.819 where: short stacking energy: -525.565 Base-Backbone interact. energy: -1.699 local terms energy: -532.321213 where: bonds (distance) C4'-P energy: -106.258 bonds (distance) P-C4' energy: -107.678 flat angles C4'-P-C4' energy: -123.779 flat angles P-C4'-P energy: -84.211 tors. eta vs tors. theta energy: -110.395 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1639.595979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.595979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.595979 (E_RNA) where: Base-Base interactions energy: -1138.942 where: short stacking energy: -496.514 Base-Backbone interact. energy: -1.457 local terms energy: -499.196613 where: bonds (distance) C4'-P energy: -95.759 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -111.586 flat angles P-C4'-P energy: -62.089 tors. eta vs tors. theta energy: -125.509 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: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1409.519336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.519336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.519336 (E_RNA) where: Base-Base interactions energy: -964.578 where: short stacking energy: -409.281 Base-Backbone interact. energy: 0.979 local terms energy: -445.920675 where: bonds (distance) C4'-P energy: -88.365 bonds (distance) P-C4' energy: -119.585 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -52.120 tors. eta vs tors. theta energy: -74.827 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: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1430.590130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.590130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.590130 (E_RNA) where: Base-Base interactions energy: -967.001 where: short stacking energy: -391.555 Base-Backbone interact. energy: 3.192 local terms energy: -466.780524 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -104.594 flat angles C4'-P-C4' energy: -110.763 flat angles P-C4'-P energy: -52.418 tors. eta vs tors. theta energy: -81.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -827.538843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.538843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.538843 (E_RNA) where: Base-Base interactions energy: -457.260 where: short stacking energy: -240.790 Base-Backbone interact. energy: 0.470 local terms energy: -370.748936 where: bonds (distance) C4'-P energy: -102.042 bonds (distance) P-C4' energy: -114.395 flat angles C4'-P-C4' energy: -95.026 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2404.970738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.970738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.970738 (E_RNA) where: Base-Base interactions energy: -1692.076 where: short stacking energy: -693.933 Base-Backbone interact. energy: -2.914 local terms energy: -709.980234 where: bonds (distance) C4'-P energy: -143.111 bonds (distance) P-C4' energy: -128.139 flat angles C4'-P-C4' energy: -150.940 flat angles P-C4'-P energy: -101.991 tors. eta vs tors. theta energy: -185.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2275.527443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.527443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.527443 (E_RNA) where: Base-Base interactions energy: -1604.404 where: short stacking energy: -680.201 Base-Backbone interact. energy: -5.312 local terms energy: -665.811108 where: bonds (distance) C4'-P energy: -104.206 bonds (distance) P-C4' energy: -131.067 flat angles C4'-P-C4' energy: -157.879 flat angles P-C4'-P energy: -94.371 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: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2309.093787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.093787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.093787 (E_RNA) where: Base-Base interactions energy: -1631.569 where: short stacking energy: -661.224 Base-Backbone interact. energy: -2.981 local terms energy: -674.544314 where: bonds (distance) C4'-P energy: -127.780 bonds (distance) P-C4' energy: -128.162 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -93.817 tors. eta vs tors. theta energy: -175.920 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: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2112.322142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.322142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.322142 (E_RNA) where: Base-Base interactions energy: -1505.318 where: short stacking energy: -652.318 Base-Backbone interact. energy: -1.276 local terms energy: -605.727524 where: bonds (distance) C4'-P energy: -98.041 bonds (distance) P-C4' energy: -127.344 flat angles C4'-P-C4' energy: -136.362 flat angles P-C4'-P energy: -76.945 tors. eta vs tors. theta energy: -167.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1923.289474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.289474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.289474 (E_RNA) where: Base-Base interactions energy: -1325.895 where: short stacking energy: -571.250 Base-Backbone interact. energy: -3.971 local terms energy: -593.423441 where: bonds (distance) C4'-P energy: -121.902 bonds (distance) P-C4' energy: -116.635 flat angles C4'-P-C4' energy: -129.669 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -141.956 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: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1801.724313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.724313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.724313 (E_RNA) where: Base-Base interactions energy: -1248.223 where: short stacking energy: -525.182 Base-Backbone interact. energy: -1.266 local terms energy: -552.234739 where: bonds (distance) C4'-P energy: -114.787 bonds (distance) P-C4' energy: -115.496 flat angles C4'-P-C4' energy: -118.375 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -129.791 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: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1601.326215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.326215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.326215 (E_RNA) where: Base-Base interactions energy: -1073.847 where: short stacking energy: -469.755 Base-Backbone interact. energy: -1.517 local terms energy: -525.962699 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -111.885 flat angles C4'-P-C4' energy: -127.620 flat angles P-C4'-P energy: -85.830 tors. eta vs tors. theta energy: -107.730 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: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1413.107788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.107788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.107788 (E_RNA) where: Base-Base interactions energy: -951.146 where: short stacking energy: -434.981 Base-Backbone interact. energy: 0.342 local terms energy: -462.303798 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -100.677 flat angles C4'-P-C4' energy: -114.939 flat angles P-C4'-P energy: -58.746 tors. eta vs tors. theta energy: -94.006 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: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1388.809462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.809462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.809462 (E_RNA) where: Base-Base interactions energy: -960.486 where: short stacking energy: -402.349 Base-Backbone interact. energy: -0.275 local terms energy: -428.048675 where: bonds (distance) C4'-P energy: -97.211 bonds (distance) P-C4' energy: -115.870 flat angles C4'-P-C4' energy: -88.577 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: -73.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -840.984403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.984403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.984403 (E_RNA) where: Base-Base interactions energy: -459.364 where: short stacking energy: -259.336 Base-Backbone interact. energy: 2.894 local terms energy: -384.514896 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -110.068 flat angles C4'-P-C4' energy: -97.366 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -24.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2395.502691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.502691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.502691 (E_RNA) where: Base-Base interactions energy: -1705.936 where: short stacking energy: -709.015 Base-Backbone interact. energy: -0.654 local terms energy: -688.912985 where: bonds (distance) C4'-P energy: -126.749 bonds (distance) P-C4' energy: -132.643 flat angles C4'-P-C4' energy: -134.049 flat angles P-C4'-P energy: -97.781 tors. eta vs tors. theta energy: -197.692 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: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2243.550251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.550251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.550251 (E_RNA) where: Base-Base interactions energy: -1571.910 where: short stacking energy: -637.423 Base-Backbone interact. energy: -1.611 local terms energy: -670.029401 where: bonds (distance) C4'-P energy: -138.528 bonds (distance) P-C4' energy: -132.796 flat angles C4'-P-C4' energy: -138.007 flat angles P-C4'-P energy: -85.987 tors. eta vs tors. theta energy: -174.711 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: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2306.355520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.355520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.355520 (E_RNA) where: Base-Base interactions energy: -1631.611 where: short stacking energy: -679.690 Base-Backbone interact. energy: -3.036 local terms energy: -671.708416 where: bonds (distance) C4'-P energy: -121.640 bonds (distance) P-C4' energy: -126.416 flat angles C4'-P-C4' energy: -145.622 flat angles P-C4'-P energy: -99.263 tors. eta vs tors. theta energy: -178.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2133.624084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.624084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.624084 (E_RNA) where: Base-Base interactions energy: -1489.286 where: short stacking energy: -632.984 Base-Backbone interact. energy: -2.030 local terms energy: -642.308783 where: bonds (distance) C4'-P energy: -121.558 bonds (distance) P-C4' energy: -134.100 flat angles C4'-P-C4' energy: -141.981 flat angles P-C4'-P energy: -76.159 tors. eta vs tors. theta energy: -168.511 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: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1919.558774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.558774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.558774 (E_RNA) where: Base-Base interactions energy: -1326.622 where: short stacking energy: -587.985 Base-Backbone interact. energy: 2.844 local terms energy: -595.781115 where: bonds (distance) C4'-P energy: -96.646 bonds (distance) P-C4' energy: -127.773 flat angles C4'-P-C4' energy: -131.250 flat angles P-C4'-P energy: -86.149 tors. eta vs tors. theta energy: -153.963 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: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1842.459463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.459463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.459463 (E_RNA) where: Base-Base interactions energy: -1256.066 where: short stacking energy: -546.055 Base-Backbone interact. energy: -1.178 local terms energy: -585.215113 where: bonds (distance) C4'-P energy: -118.823 bonds (distance) P-C4' energy: -120.061 flat angles C4'-P-C4' energy: -134.700 flat angles P-C4'-P energy: -76.941 tors. eta vs tors. theta energy: -134.690 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: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1519.826681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.826681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.826681 (E_RNA) where: Base-Base interactions energy: -963.686 where: short stacking energy: -420.543 Base-Backbone interact. energy: 4.153 local terms energy: -560.294061 where: bonds (distance) C4'-P energy: -108.502 bonds (distance) P-C4' energy: -118.532 flat angles C4'-P-C4' energy: -135.221 flat angles P-C4'-P energy: -103.890 tors. eta vs tors. theta energy: -94.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1545.795391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.795391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.795391 (E_RNA) where: Base-Base interactions energy: -1060.433 where: short stacking energy: -481.204 Base-Backbone interact. energy: -1.731 local terms energy: -483.631655 where: bonds (distance) C4'-P energy: -81.817 bonds (distance) P-C4' energy: -97.997 flat angles C4'-P-C4' energy: -105.233 flat angles P-C4'-P energy: -85.220 tors. eta vs tors. theta energy: -113.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1447.968643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.968643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.968643 (E_RNA) where: Base-Base interactions energy: -977.125 where: short stacking energy: -404.499 Base-Backbone interact. energy: 2.200 local terms energy: -473.043063 where: bonds (distance) C4'-P energy: -95.219 bonds (distance) P-C4' energy: -105.929 flat angles C4'-P-C4' energy: -106.738 flat angles P-C4'-P energy: -82.914 tors. eta vs tors. theta energy: -82.243 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: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -767.898554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.898554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.898554 (E_RNA) where: Base-Base interactions energy: -440.371 where: short stacking energy: -272.375 Base-Backbone interact. energy: 1.750 local terms energy: -329.277265 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -95.595 flat angles P-C4'-P energy: -39.234 tors. eta vs tors. theta energy: -21.466 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: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2392.631485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.631485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.631485 (E_RNA) where: Base-Base interactions energy: -1713.260 where: short stacking energy: -708.707 Base-Backbone interact. energy: -2.520 local terms energy: -676.851451 where: bonds (distance) C4'-P energy: -127.627 bonds (distance) P-C4' energy: -116.242 flat angles C4'-P-C4' energy: -149.586 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -190.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2325.794210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.794210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.794210 (E_RNA) where: Base-Base interactions energy: -1649.657 where: short stacking energy: -675.502 Base-Backbone interact. energy: -1.269 local terms energy: -674.867668 where: bonds (distance) C4'-P energy: -122.485 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -143.118 flat angles P-C4'-P energy: -93.751 tors. eta vs tors. theta energy: -178.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2225.873321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.873321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.873321 (E_RNA) where: Base-Base interactions energy: -1553.363 where: short stacking energy: -643.815 Base-Backbone interact. energy: -4.842 local terms energy: -667.668607 where: bonds (distance) C4'-P energy: -132.214 bonds (distance) P-C4' energy: -120.183 flat angles C4'-P-C4' energy: -143.762 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -188.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2104.733845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.733845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.733845 (E_RNA) where: Base-Base interactions energy: -1503.352 where: short stacking energy: -612.510 Base-Backbone interact. energy: -3.267 local terms energy: -598.115158 where: bonds (distance) C4'-P energy: -109.770 bonds (distance) P-C4' energy: -116.719 flat angles C4'-P-C4' energy: -139.994 flat angles P-C4'-P energy: -82.024 tors. eta vs tors. theta energy: -149.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1847.104304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.104304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.104304 (E_RNA) where: Base-Base interactions energy: -1236.024 where: short stacking energy: -536.113 Base-Backbone interact. energy: -0.563 local terms energy: -610.517909 where: bonds (distance) C4'-P energy: -120.852 bonds (distance) P-C4' energy: -129.403 flat angles C4'-P-C4' energy: -141.497 flat angles P-C4'-P energy: -76.899 tors. eta vs tors. theta energy: -141.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1883.763335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.763335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.763335 (E_RNA) where: Base-Base interactions energy: -1332.844 where: short stacking energy: -554.769 Base-Backbone interact. energy: -0.688 local terms energy: -550.231510 where: bonds (distance) C4'-P energy: -109.499 bonds (distance) P-C4' energy: -103.489 flat angles C4'-P-C4' energy: -134.310 flat angles P-C4'-P energy: -72.010 tors. eta vs tors. theta energy: -130.924 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: 239 Temperature: 1.200000 Total energy: -1464.042331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.042331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.042331 (E_RNA) where: Base-Base interactions energy: -963.826 where: short stacking energy: -417.324 Base-Backbone interact. energy: -2.722 local terms energy: -497.494426 where: bonds (distance) C4'-P energy: -108.085 bonds (distance) P-C4' energy: -107.714 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -93.730 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: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1542.021416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.021416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.021416 (E_RNA) where: Base-Base interactions energy: -1014.238 where: short stacking energy: -467.213 Base-Backbone interact. energy: -0.546 local terms energy: -527.236676 where: bonds (distance) C4'-P energy: -121.157 bonds (distance) P-C4' energy: -102.936 flat angles C4'-P-C4' energy: -116.482 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -112.624 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: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1449.335297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.335297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.335297 (E_RNA) where: Base-Base interactions energy: -999.543 where: short stacking energy: -446.537 Base-Backbone interact. energy: 2.552 local terms energy: -452.343531 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -97.269 flat angles C4'-P-C4' energy: -95.416 flat angles P-C4'-P energy: -65.015 tors. eta vs tors. theta energy: -106.846 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: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -760.791660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.791660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.791660 (E_RNA) where: Base-Base interactions energy: -386.299 where: short stacking energy: -218.592 Base-Backbone interact. energy: -1.375 local terms energy: -373.117423 where: bonds (distance) C4'-P energy: -108.530 bonds (distance) P-C4' energy: -116.714 flat angles C4'-P-C4' energy: -96.710 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -0.045 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: 5 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2399.029336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.029336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.029336 (E_RNA) where: Base-Base interactions energy: -1696.284 where: short stacking energy: -702.773 Base-Backbone interact. energy: -2.555 local terms energy: -700.189990 where: bonds (distance) C4'-P energy: -125.153 bonds (distance) P-C4' energy: -131.800 flat angles C4'-P-C4' energy: -151.077 flat angles P-C4'-P energy: -94.630 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: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2359.362192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.362192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.362192 (E_RNA) where: Base-Base interactions energy: -1683.626 where: short stacking energy: -697.619 Base-Backbone interact. energy: -4.229 local terms energy: -671.507635 where: bonds (distance) C4'-P energy: -112.909 bonds (distance) P-C4' energy: -125.278 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -105.496 tors. eta vs tors. theta energy: -182.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2249.246565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.246565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.246565 (E_RNA) where: Base-Base interactions energy: -1563.163 where: short stacking energy: -678.426 Base-Backbone interact. energy: -1.487 local terms energy: -684.597231 where: bonds (distance) C4'-P energy: -121.367 bonds (distance) P-C4' energy: -130.979 flat angles C4'-P-C4' energy: -148.921 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -191.601 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: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2139.842826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.842826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.842826 (E_RNA) where: Base-Base interactions energy: -1491.794 where: short stacking energy: -624.699 Base-Backbone interact. energy: -2.424 local terms energy: -645.624648 where: bonds (distance) C4'-P energy: -120.238 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -148.887 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -173.338 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: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1922.401060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.401060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.401060 (E_RNA) where: Base-Base interactions energy: -1328.131 where: short stacking energy: -567.482 Base-Backbone interact. energy: -3.814 local terms energy: -590.455510 where: bonds (distance) C4'-P energy: -113.096 bonds (distance) P-C4' energy: -122.030 flat angles C4'-P-C4' energy: -138.267 flat angles P-C4'-P energy: -82.031 tors. eta vs tors. theta energy: -135.031 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: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1817.190550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.190550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.190550 (E_RNA) where: Base-Base interactions energy: -1209.688 where: short stacking energy: -531.218 Base-Backbone interact. energy: -2.594 local terms energy: -604.908041 where: bonds (distance) C4'-P energy: -130.605 bonds (distance) P-C4' energy: -125.665 flat angles C4'-P-C4' energy: -127.803 flat angles P-C4'-P energy: -79.465 tors. eta vs tors. theta energy: -141.370 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: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1560.364196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.364196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.364196 (E_RNA) where: Base-Base interactions energy: -1010.441 where: short stacking energy: -450.744 Base-Backbone interact. energy: -0.366 local terms energy: -549.557327 where: bonds (distance) C4'-P energy: -125.403 bonds (distance) P-C4' energy: -113.311 flat angles C4'-P-C4' energy: -131.471 flat angles P-C4'-P energy: -84.734 tors. eta vs tors. theta energy: -94.638 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: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1433.337616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.337616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.337616 (E_RNA) where: Base-Base interactions energy: -975.718 where: short stacking energy: -452.896 Base-Backbone interact. energy: 5.667 local terms energy: -463.286260 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -108.833 flat angles C4'-P-C4' energy: -105.286 flat angles P-C4'-P energy: -68.588 tors. eta vs tors. theta energy: -87.742 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: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1432.024786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.024786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.024786 (E_RNA) where: Base-Base interactions energy: -968.612 where: short stacking energy: -384.239 Base-Backbone interact. energy: -3.210 local terms energy: -460.203488 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -96.123 flat angles C4'-P-C4' energy: -123.727 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -74.733 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: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -754.564843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.564843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.564843 (E_RNA) where: Base-Base interactions energy: -420.359 where: short stacking energy: -225.670 Base-Backbone interact. energy: 1.387 local terms energy: -335.592046 where: bonds (distance) C4'-P energy: -101.568 bonds (distance) P-C4' energy: -100.798 flat angles C4'-P-C4' energy: -83.898 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2415.866002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.866002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.866002 (E_RNA) where: Base-Base interactions energy: -1699.223 where: short stacking energy: -721.774 Base-Backbone interact. energy: -1.217 local terms energy: -715.425691 where: bonds (distance) C4'-P energy: -130.715 bonds (distance) P-C4' energy: -134.957 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -108.692 tors. eta vs tors. theta energy: -192.734 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: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2346.714779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.714779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.714779 (E_RNA) where: Base-Base interactions energy: -1686.482 where: short stacking energy: -663.797 Base-Backbone interact. energy: -0.156 local terms energy: -660.077517 where: bonds (distance) C4'-P energy: -133.462 bonds (distance) P-C4' energy: -136.312 flat angles C4'-P-C4' energy: -130.768 flat angles P-C4'-P energy: -80.335 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: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2218.442368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.442368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.442368 (E_RNA) where: Base-Base interactions energy: -1549.704 where: short stacking energy: -652.451 Base-Backbone interact. energy: -3.314 local terms energy: -665.423677 where: bonds (distance) C4'-P energy: -123.930 bonds (distance) P-C4' energy: -123.976 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -99.617 tors. eta vs tors. theta energy: -176.581 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: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2152.409055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.409055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.409055 (E_RNA) where: Base-Base interactions energy: -1532.885 where: short stacking energy: -637.976 Base-Backbone interact. energy: -2.768 local terms energy: -616.755642 where: bonds (distance) C4'-P energy: -110.124 bonds (distance) P-C4' energy: -107.791 flat angles C4'-P-C4' energy: -141.816 flat angles P-C4'-P energy: -85.065 tors. eta vs tors. theta energy: -171.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1955.888210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.888210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.888210 (E_RNA) where: Base-Base interactions energy: -1377.997 where: short stacking energy: -555.804 Base-Backbone interact. energy: -2.126 local terms energy: -575.765837 where: bonds (distance) C4'-P energy: -109.546 bonds (distance) P-C4' energy: -107.057 flat angles C4'-P-C4' energy: -131.381 flat angles P-C4'-P energy: -80.044 tors. eta vs tors. theta energy: -147.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1716.525772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.525772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.525772 (E_RNA) where: Base-Base interactions energy: -1165.683 where: short stacking energy: -501.371 Base-Backbone interact. energy: 1.209 local terms energy: -552.051504 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -138.032 flat angles C4'-P-C4' energy: -119.943 flat angles P-C4'-P energy: -71.161 tors. eta vs tors. theta energy: -120.563 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: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1540.844529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.844529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.844529 (E_RNA) where: Base-Base interactions energy: -1037.570 where: short stacking energy: -450.593 Base-Backbone interact. energy: -3.948 local terms energy: -499.325759 where: bonds (distance) C4'-P energy: -107.862 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -113.317 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -102.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1475.009349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.009349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.009349 (E_RNA) where: Base-Base interactions energy: -988.688 where: short stacking energy: -412.918 Base-Backbone interact. energy: -3.402 local terms energy: -482.918977 where: bonds (distance) C4'-P energy: -107.537 bonds (distance) P-C4' energy: -113.874 flat angles C4'-P-C4' energy: -125.000 flat angles P-C4'-P energy: -61.901 tors. eta vs tors. theta energy: -74.607 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: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1337.317202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.317202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.317202 (E_RNA) where: Base-Base interactions energy: -892.578 where: short stacking energy: -399.789 Base-Backbone interact. energy: -0.629 local terms energy: -444.109891 where: bonds (distance) C4'-P energy: -105.654 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -108.859 flat angles P-C4'-P energy: -43.496 tors. eta vs tors. theta energy: -80.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -788.700399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.700399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.700399 (E_RNA) where: Base-Base interactions energy: -403.473 where: short stacking energy: -250.849 Base-Backbone interact. energy: 2.119 local terms energy: -387.346386 where: bonds (distance) C4'-P energy: -99.323 bonds (distance) P-C4' energy: -127.150 flat angles C4'-P-C4' energy: -80.941 flat angles P-C4'-P energy: -54.162 tors. eta vs tors. theta energy: -25.771 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: 242 Temperature: 0.900000 Total energy: -2400.462885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.462885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.462885 (E_RNA) where: Base-Base interactions energy: -1724.039 where: short stacking energy: -727.097 Base-Backbone interact. energy: -1.998 local terms energy: -674.425033 where: bonds (distance) C4'-P energy: -133.246 bonds (distance) P-C4' energy: -113.977 flat angles C4'-P-C4' energy: -140.378 flat angles P-C4'-P energy: -94.536 tors. eta vs tors. theta energy: -192.288 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: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2350.811762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.811762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.811762 (E_RNA) where: Base-Base interactions energy: -1677.334 where: short stacking energy: -679.944 Base-Backbone interact. energy: -1.756 local terms energy: -671.721279 where: bonds (distance) C4'-P energy: -127.831 bonds (distance) P-C4' energy: -113.880 flat angles C4'-P-C4' energy: -141.650 flat angles P-C4'-P energy: -105.534 tors. eta vs tors. theta energy: -182.825 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: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2213.576985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.576985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.576985 (E_RNA) where: Base-Base interactions energy: -1563.497 where: short stacking energy: -657.140 Base-Backbone interact. energy: -3.123 local terms energy: -646.957103 where: bonds (distance) C4'-P energy: -129.625 bonds (distance) P-C4' energy: -106.821 flat angles C4'-P-C4' energy: -149.186 flat angles P-C4'-P energy: -79.729 tors. eta vs tors. theta energy: -181.597 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: 4 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2130.137861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.137861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.137861 (E_RNA) where: Base-Base interactions energy: -1468.890 where: short stacking energy: -634.269 Base-Backbone interact. energy: -3.306 local terms energy: -657.941478 where: bonds (distance) C4'-P energy: -119.742 bonds (distance) P-C4' energy: -138.437 flat angles C4'-P-C4' energy: -142.497 flat angles P-C4'-P energy: -86.497 tors. eta vs tors. theta energy: -170.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1964.208888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.208888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.208888 (E_RNA) where: Base-Base interactions energy: -1372.080 where: short stacking energy: -581.962 Base-Backbone interact. energy: -3.449 local terms energy: -588.680258 where: bonds (distance) C4'-P energy: -114.737 bonds (distance) P-C4' energy: -119.347 flat angles C4'-P-C4' energy: -127.531 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -151.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1768.105860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.105860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.105860 (E_RNA) where: Base-Base interactions energy: -1186.007 where: short stacking energy: -508.313 Base-Backbone interact. energy: -2.463 local terms energy: -579.635932 where: bonds (distance) C4'-P energy: -101.469 bonds (distance) P-C4' energy: -116.577 flat angles C4'-P-C4' energy: -142.909 flat angles P-C4'-P energy: -96.162 tors. eta vs tors. theta energy: -122.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1644.350138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.350138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.350138 (E_RNA) where: Base-Base interactions energy: -1116.179 where: short stacking energy: -496.554 Base-Backbone interact. energy: -2.174 local terms energy: -525.997491 where: bonds (distance) C4'-P energy: -102.646 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -126.439 flat angles P-C4'-P energy: -86.927 tors. eta vs tors. theta energy: -114.191 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: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1502.070143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.070143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.070143 (E_RNA) where: Base-Base interactions energy: -1010.802 where: short stacking energy: -437.689 Base-Backbone interact. energy: -0.174 local terms energy: -491.094147 where: bonds (distance) C4'-P energy: -84.180 bonds (distance) P-C4' energy: -87.032 flat angles C4'-P-C4' energy: -126.776 flat angles P-C4'-P energy: -77.122 tors. eta vs tors. theta energy: -115.984 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: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1293.900792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.900792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.900792 (E_RNA) where: Base-Base interactions energy: -832.849 where: short stacking energy: -391.652 Base-Backbone interact. energy: 1.693 local terms energy: -462.744820 where: bonds (distance) C4'-P energy: -108.210 bonds (distance) P-C4' energy: -109.433 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -71.785 tors. eta vs tors. theta energy: -65.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -836.598146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.598146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.598146 (E_RNA) where: Base-Base interactions energy: -455.931 where: short stacking energy: -237.775 Base-Backbone interact. energy: 0.460 local terms energy: -381.126953 where: bonds (distance) C4'-P energy: -107.304 bonds (distance) P-C4' energy: -94.519 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -63.480 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: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2418.912394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.912394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.912394 (E_RNA) where: Base-Base interactions energy: -1711.412 where: short stacking energy: -720.936 Base-Backbone interact. energy: -2.798 local terms energy: -704.702895 where: bonds (distance) C4'-P energy: -120.589 bonds (distance) P-C4' energy: -136.484 flat angles C4'-P-C4' energy: -157.662 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -196.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2344.137699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.137699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.137699 (E_RNA) where: Base-Base interactions energy: -1677.527 where: short stacking energy: -684.534 Base-Backbone interact. energy: 0.001 local terms energy: -666.611100 where: bonds (distance) C4'-P energy: -134.930 bonds (distance) P-C4' energy: -129.005 flat angles C4'-P-C4' energy: -131.617 flat angles P-C4'-P energy: -84.979 tors. eta vs tors. theta energy: -186.081 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: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2231.025227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.025227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.025227 (E_RNA) where: Base-Base interactions energy: -1556.484 where: short stacking energy: -656.587 Base-Backbone interact. energy: 1.733 local terms energy: -676.274147 where: bonds (distance) C4'-P energy: -121.701 bonds (distance) P-C4' energy: -124.441 flat angles C4'-P-C4' energy: -142.202 flat angles P-C4'-P energy: -98.191 tors. eta vs tors. theta energy: -189.740 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: 4, replica: 4 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2114.282698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.282698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.282698 (E_RNA) where: Base-Base interactions energy: -1452.794 where: short stacking energy: -608.802 Base-Backbone interact. energy: -3.192 local terms energy: -658.297439 where: bonds (distance) C4'-P energy: -118.364 bonds (distance) P-C4' energy: -138.562 flat angles C4'-P-C4' energy: -130.906 flat angles P-C4'-P energy: -91.458 tors. eta vs tors. theta energy: -179.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1946.752153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.752153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.752153 (E_RNA) where: Base-Base interactions energy: -1338.440 where: short stacking energy: -574.310 Base-Backbone interact. energy: -1.818 local terms energy: -606.494632 where: bonds (distance) C4'-P energy: -108.968 bonds (distance) P-C4' energy: -114.012 flat angles C4'-P-C4' energy: -139.979 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -160.184 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: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1764.625726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.625726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.625726 (E_RNA) where: Base-Base interactions energy: -1205.100 where: short stacking energy: -500.256 Base-Backbone interact. energy: -1.431 local terms energy: -558.094652 where: bonds (distance) C4'-P energy: -121.877 bonds (distance) P-C4' energy: -121.541 flat angles C4'-P-C4' energy: -125.354 flat angles P-C4'-P energy: -65.664 tors. eta vs tors. theta energy: -123.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1640.411183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.411183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.411183 (E_RNA) where: Base-Base interactions energy: -1069.951 where: short stacking energy: -475.474 Base-Backbone interact. energy: -0.903 local terms energy: -569.557727 where: bonds (distance) C4'-P energy: -110.259 bonds (distance) P-C4' energy: -120.251 flat angles C4'-P-C4' energy: -140.888 flat angles P-C4'-P energy: -88.629 tors. eta vs tors. theta energy: -109.530 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: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1520.039644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.039644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.039644 (E_RNA) where: Base-Base interactions energy: -1009.599 where: short stacking energy: -426.711 Base-Backbone interact. energy: 2.365 local terms energy: -512.805509 where: bonds (distance) C4'-P energy: -112.962 bonds (distance) P-C4' energy: -116.169 flat angles C4'-P-C4' energy: -115.385 flat angles P-C4'-P energy: -74.964 tors. eta vs tors. theta energy: -93.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1299.615187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.615187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.615187 (E_RNA) where: Base-Base interactions energy: -869.345 where: short stacking energy: -366.235 Base-Backbone interact. energy: -0.929 local terms energy: -429.341053 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -106.155 flat angles C4'-P-C4' energy: -78.308 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -65.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -881.326803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.326803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.326803 (E_RNA) where: Base-Base interactions energy: -521.439 where: short stacking energy: -281.657 Base-Backbone interact. energy: 3.180 local terms energy: -363.067270 where: bonds (distance) C4'-P energy: -104.604 bonds (distance) P-C4' energy: -115.195 flat angles C4'-P-C4' energy: -88.054 flat angles P-C4'-P energy: -35.719 tors. eta vs tors. theta energy: -19.495 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: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2414.452435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.452435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.452435 (E_RNA) where: Base-Base interactions energy: -1701.765 where: short stacking energy: -725.816 Base-Backbone interact. energy: 1.095 local terms energy: -713.781813 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -131.875 flat angles C4'-P-C4' energy: -152.612 flat angles P-C4'-P energy: -96.054 tors. eta vs tors. theta energy: -192.550 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: 2, replica: 6 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2338.111809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.111809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.111809 (E_RNA) where: Base-Base interactions energy: -1663.906 where: short stacking energy: -696.853 Base-Backbone interact. energy: -3.212 local terms energy: -670.993591 where: bonds (distance) C4'-P energy: -113.879 bonds (distance) P-C4' energy: -133.563 flat angles C4'-P-C4' energy: -138.329 flat angles P-C4'-P energy: -96.093 tors. eta vs tors. theta energy: -189.129 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: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2249.927494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.927494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.927494 (E_RNA) where: Base-Base interactions energy: -1580.877 where: short stacking energy: -661.341 Base-Backbone interact. energy: -0.810 local terms energy: -668.241015 where: bonds (distance) C4'-P energy: -114.412 bonds (distance) P-C4' energy: -127.635 flat angles C4'-P-C4' energy: -143.033 flat angles P-C4'-P energy: -106.320 tors. eta vs tors. theta energy: -176.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2161.164603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.164603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.164603 (E_RNA) where: Base-Base interactions energy: -1525.963 where: short stacking energy: -642.951 Base-Backbone interact. energy: -3.063 local terms energy: -632.138606 where: bonds (distance) C4'-P energy: -102.506 bonds (distance) P-C4' energy: -117.178 flat angles C4'-P-C4' energy: -142.691 flat angles P-C4'-P energy: -96.530 tors. eta vs tors. theta energy: -173.234 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: 244 Temperature: 1.100000 Total energy: -1958.925158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.925158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.925158 (E_RNA) where: Base-Base interactions energy: -1338.744 where: short stacking energy: -568.783 Base-Backbone interact. energy: -3.948 local terms energy: -616.232497 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -140.294 flat angles P-C4'-P energy: -83.963 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: 6, replica: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1777.729564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.729564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.729564 (E_RNA) where: Base-Base interactions energy: -1200.446 where: short stacking energy: -507.745 Base-Backbone interact. energy: -3.957 local terms energy: -573.326173 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -127.394 flat angles C4'-P-C4' energy: -132.516 flat angles P-C4'-P energy: -74.283 tors. eta vs tors. theta energy: -117.464 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: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1644.444577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.444577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.444577 (E_RNA) where: Base-Base interactions energy: -1117.103 where: short stacking energy: -510.901 Base-Backbone interact. energy: -3.731 local terms energy: -523.610751 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -90.928 flat angles C4'-P-C4' energy: -126.402 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -124.650 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: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1505.850465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.850465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.850465 (E_RNA) where: Base-Base interactions energy: -1024.396 where: short stacking energy: -453.894 Base-Backbone interact. energy: -2.781 local terms energy: -478.674077 where: bonds (distance) C4'-P energy: -118.652 bonds (distance) P-C4' energy: -95.437 flat angles C4'-P-C4' energy: -112.131 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -86.577 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: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1292.348883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.348883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.348883 (E_RNA) where: Base-Base interactions energy: -838.732 where: short stacking energy: -363.551 Base-Backbone interact. energy: -3.615 local terms energy: -450.002311 where: bonds (distance) C4'-P energy: -96.912 bonds (distance) P-C4' energy: -120.453 flat angles C4'-P-C4' energy: -108.379 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: -49.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -803.527947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.527947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.527947 (E_RNA) where: Base-Base interactions energy: -444.012 where: short stacking energy: -217.098 Base-Backbone interact. energy: -1.779 local terms energy: -357.736998 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -112.996 flat angles C4'-P-C4' energy: -85.286 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -12.953 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: 245 Temperature: 0.900000 Total energy: -2391.407787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.407787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.407787 (E_RNA) where: Base-Base interactions energy: -1691.540 where: short stacking energy: -715.379 Base-Backbone interact. energy: -2.919 local terms energy: -696.949187 where: bonds (distance) C4'-P energy: -118.499 bonds (distance) P-C4' energy: -132.284 flat angles C4'-P-C4' energy: -143.295 flat angles P-C4'-P energy: -102.000 tors. eta vs tors. theta energy: -200.871 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: 2, replica: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2341.763786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.763786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.763786 (E_RNA) where: Base-Base interactions energy: -1668.237 where: short stacking energy: -672.931 Base-Backbone interact. energy: -0.687 local terms energy: -672.839114 where: bonds (distance) C4'-P energy: -118.976 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -149.136 flat angles P-C4'-P energy: -101.867 tors. eta vs tors. theta energy: -177.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2229.425960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.425960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.425960 (E_RNA) where: Base-Base interactions energy: -1567.729 where: short stacking energy: -662.485 Base-Backbone interact. energy: -0.770 local terms energy: -660.927549 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -128.347 flat angles C4'-P-C4' energy: -149.856 flat angles P-C4'-P energy: -82.286 tors. eta vs tors. theta energy: -174.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2117.795712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.795712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.795712 (E_RNA) where: Base-Base interactions energy: -1484.109 where: short stacking energy: -632.179 Base-Backbone interact. energy: -2.535 local terms energy: -631.151578 where: bonds (distance) C4'-P energy: -112.852 bonds (distance) P-C4' energy: -119.265 flat angles C4'-P-C4' energy: -137.135 flat angles P-C4'-P energy: -90.056 tors. eta vs tors. theta energy: -171.844 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: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1999.494312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.494312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.494312 (E_RNA) where: Base-Base interactions energy: -1372.397 where: short stacking energy: -598.261 Base-Backbone interact. energy: -0.486 local terms energy: -626.611373 where: bonds (distance) C4'-P energy: -122.473 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -129.291 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -158.815 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: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1754.343220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.343220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.343220 (E_RNA) where: Base-Base interactions energy: -1175.198 where: short stacking energy: -517.577 Base-Backbone interact. energy: 0.742 local terms energy: -579.887926 where: bonds (distance) C4'-P energy: -118.244 bonds (distance) P-C4' energy: -127.946 flat angles C4'-P-C4' energy: -127.672 flat angles P-C4'-P energy: -80.612 tors. eta vs tors. theta energy: -125.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1631.089805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.089805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.089805 (E_RNA) where: Base-Base interactions energy: -1104.719 where: short stacking energy: -468.830 Base-Backbone interact. energy: -3.377 local terms energy: -522.993709 where: bonds (distance) C4'-P energy: -105.480 bonds (distance) P-C4' energy: -109.199 flat angles C4'-P-C4' energy: -126.794 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -109.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1449.846487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.846487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.846487 (E_RNA) where: Base-Base interactions energy: -961.787 where: short stacking energy: -404.074 Base-Backbone interact. energy: -4.518 local terms energy: -483.541741 where: bonds (distance) C4'-P energy: -119.209 bonds (distance) P-C4' energy: -107.965 flat angles C4'-P-C4' energy: -111.222 flat angles P-C4'-P energy: -70.523 tors. eta vs tors. theta energy: -74.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1309.480041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.480041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.480041 (E_RNA) where: Base-Base interactions energy: -874.522 where: short stacking energy: -378.532 Base-Backbone interact. energy: 0.283 local terms energy: -435.241062 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -117.555 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -64.905 tors. eta vs tors. theta energy: -56.086 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: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -770.607997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.607997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.607997 (E_RNA) where: Base-Base interactions energy: -418.327 where: short stacking energy: -248.886 Base-Backbone interact. energy: 1.056 local terms energy: -353.337642 where: bonds (distance) C4'-P energy: -95.052 bonds (distance) P-C4' energy: -103.836 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -67.429 tors. eta vs tors. theta energy: -6.996 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: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2399.323999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.323999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.323999 (E_RNA) where: Base-Base interactions energy: -1709.808 where: short stacking energy: -701.251 Base-Backbone interact. energy: -1.793 local terms energy: -687.722685 where: bonds (distance) C4'-P energy: -128.236 bonds (distance) P-C4' energy: -130.226 flat angles C4'-P-C4' energy: -147.770 flat angles P-C4'-P energy: -106.577 tors. eta vs tors. theta energy: -174.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2372.347460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.347460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.347460 (E_RNA) where: Base-Base interactions energy: -1670.023 where: short stacking energy: -706.028 Base-Backbone interact. energy: -0.769 local terms energy: -701.555116 where: bonds (distance) C4'-P energy: -124.930 bonds (distance) P-C4' energy: -137.284 flat angles C4'-P-C4' energy: -145.154 flat angles P-C4'-P energy: -91.301 tors. eta vs tors. theta energy: -202.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2231.664652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.664652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.664652 (E_RNA) where: Base-Base interactions energy: -1560.702 where: short stacking energy: -665.285 Base-Backbone interact. energy: -5.408 local terms energy: -665.554709 where: bonds (distance) C4'-P energy: -127.041 bonds (distance) P-C4' energy: -108.562 flat angles C4'-P-C4' energy: -147.783 flat angles P-C4'-P energy: -92.915 tors. eta vs tors. theta energy: -189.254 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: 246 Temperature: 1.050000 Total energy: -2072.269847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.269847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.269847 (E_RNA) where: Base-Base interactions energy: -1479.871 where: short stacking energy: -612.278 Base-Backbone interact. energy: -0.311 local terms energy: -592.088240 where: bonds (distance) C4'-P energy: -103.788 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -138.916 flat angles P-C4'-P energy: -84.000 tors. eta vs tors. theta energy: -153.512 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: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2011.619967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.619967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.619967 (E_RNA) where: Base-Base interactions energy: -1408.623 where: short stacking energy: -591.968 Base-Backbone interact. energy: -4.660 local terms energy: -598.337207 where: bonds (distance) C4'-P energy: -125.474 bonds (distance) P-C4' energy: -116.206 flat angles C4'-P-C4' energy: -121.808 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -157.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1772.004164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.004164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.004164 (E_RNA) where: Base-Base interactions energy: -1207.135 where: short stacking energy: -544.943 Base-Backbone interact. energy: -0.598 local terms energy: -564.270908 where: bonds (distance) C4'-P energy: -106.020 bonds (distance) P-C4' energy: -121.437 flat angles C4'-P-C4' energy: -118.562 flat angles P-C4'-P energy: -84.065 tors. eta vs tors. theta energy: -134.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1667.158661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.158661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.158661 (E_RNA) where: Base-Base interactions energy: -1130.234 where: short stacking energy: -487.219 Base-Backbone interact. energy: 0.616 local terms energy: -537.541121 where: bonds (distance) C4'-P energy: -87.387 bonds (distance) P-C4' energy: -125.429 flat angles C4'-P-C4' energy: -134.324 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -119.841 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: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1554.925109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.925109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.925109 (E_RNA) where: Base-Base interactions energy: -1057.661 where: short stacking energy: -426.540 Base-Backbone interact. energy: -1.075 local terms energy: -496.189232 where: bonds (distance) C4'-P energy: -105.144 bonds (distance) P-C4' energy: -116.950 flat angles C4'-P-C4' energy: -120.166 flat angles P-C4'-P energy: -76.494 tors. eta vs tors. theta energy: -77.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1351.704072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.704072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.704072 (E_RNA) where: Base-Base interactions energy: -882.973 where: short stacking energy: -383.227 Base-Backbone interact. energy: -3.500 local terms energy: -465.230270 where: bonds (distance) C4'-P energy: -107.659 bonds (distance) P-C4' energy: -121.278 flat angles C4'-P-C4' energy: -108.659 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -66.498 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: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -779.159066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.159066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.159066 (E_RNA) where: Base-Base interactions energy: -429.497 where: short stacking energy: -240.319 Base-Backbone interact. energy: 2.237 local terms energy: -351.899600 where: bonds (distance) C4'-P energy: -106.927 bonds (distance) P-C4' energy: -99.204 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -53.830 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2412.637255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.637255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.637255 (E_RNA) where: Base-Base interactions energy: -1706.194 where: short stacking energy: -689.443 Base-Backbone interact. energy: 6.634 local terms energy: -713.077913 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -142.244 flat angles C4'-P-C4' energy: -161.109 flat angles P-C4'-P energy: -102.458 tors. eta vs tors. theta energy: -170.775 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: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2375.705990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.705990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.705990 (E_RNA) where: Base-Base interactions energy: -1663.930 where: short stacking energy: -697.296 Base-Backbone interact. energy: -2.556 local terms energy: -709.220027 where: bonds (distance) C4'-P energy: -132.829 bonds (distance) P-C4' energy: -144.109 flat angles C4'-P-C4' energy: -145.581 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -186.470 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: 9 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2228.564144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.564144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.564144 (E_RNA) where: Base-Base interactions energy: -1534.947 where: short stacking energy: -645.349 Base-Backbone interact. energy: -2.681 local terms energy: -690.935875 where: bonds (distance) C4'-P energy: -138.514 bonds (distance) P-C4' energy: -128.301 flat angles C4'-P-C4' energy: -146.359 flat angles P-C4'-P energy: -92.917 tors. eta vs tors. theta energy: -184.844 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: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2087.413529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.413529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.413529 (E_RNA) where: Base-Base interactions energy: -1482.620 where: short stacking energy: -594.103 Base-Backbone interact. energy: -1.639 local terms energy: -603.154669 where: bonds (distance) C4'-P energy: -120.416 bonds (distance) P-C4' energy: -127.532 flat angles C4'-P-C4' energy: -121.771 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -158.552 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: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2033.275709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.275709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.275709 (E_RNA) where: Base-Base interactions energy: -1403.231 where: short stacking energy: -609.233 Base-Backbone interact. energy: 1.360 local terms energy: -631.404690 where: bonds (distance) C4'-P energy: -125.974 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -129.923 flat angles P-C4'-P energy: -71.058 tors. eta vs tors. theta energy: -174.172 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: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1784.928970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.928970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.928970 (E_RNA) where: Base-Base interactions energy: -1212.280 where: short stacking energy: -523.763 Base-Backbone interact. energy: 0.904 local terms energy: -573.553031 where: bonds (distance) C4'-P energy: -108.175 bonds (distance) P-C4' energy: -118.344 flat angles C4'-P-C4' energy: -132.512 flat angles P-C4'-P energy: -76.948 tors. eta vs tors. theta energy: -137.574 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: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1628.192286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.192286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.192286 (E_RNA) where: Base-Base interactions energy: -1083.555 where: short stacking energy: -466.569 Base-Backbone interact. energy: -1.303 local terms energy: -543.334450 where: bonds (distance) C4'-P energy: -105.229 bonds (distance) P-C4' energy: -109.393 flat angles C4'-P-C4' energy: -138.265 flat angles P-C4'-P energy: -82.939 tors. eta vs tors. theta energy: -107.509 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1580.988642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.988642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.988642 (E_RNA) where: Base-Base interactions energy: -1040.822 where: short stacking energy: -460.772 Base-Backbone interact. energy: -3.116 local terms energy: -537.051008 where: bonds (distance) C4'-P energy: -128.716 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -127.283 flat angles P-C4'-P energy: -59.899 tors. eta vs tors. theta energy: -110.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1332.056921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.056921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.056921 (E_RNA) where: Base-Base interactions energy: -882.859 where: short stacking energy: -403.031 Base-Backbone interact. energy: 2.104 local terms energy: -451.302128 where: bonds (distance) C4'-P energy: -84.607 bonds (distance) P-C4' energy: -117.842 flat angles C4'-P-C4' energy: -116.097 flat angles P-C4'-P energy: -61.506 tors. eta vs tors. theta energy: -71.249 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: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -744.113297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.113297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.113297 (E_RNA) where: Base-Base interactions energy: -403.030 where: short stacking energy: -219.209 Base-Backbone interact. energy: 2.561 local terms energy: -343.643946 where: bonds (distance) C4'-P energy: -79.237 bonds (distance) P-C4' energy: -110.281 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -5.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2402.601830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.601830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.601830 (E_RNA) where: Base-Base interactions energy: -1695.747 where: short stacking energy: -673.251 Base-Backbone interact. energy: -5.502 local terms energy: -701.352228 where: bonds (distance) C4'-P energy: -138.675 bonds (distance) P-C4' energy: -130.404 flat angles C4'-P-C4' energy: -156.048 flat angles P-C4'-P energy: -103.188 tors. eta vs tors. theta energy: -173.037 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: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2345.975831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.975831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.975831 (E_RNA) where: Base-Base interactions energy: -1656.523 where: short stacking energy: -707.451 Base-Backbone interact. energy: -0.471 local terms energy: -688.982707 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -124.456 flat angles C4'-P-C4' energy: -146.547 flat angles P-C4'-P energy: -95.460 tors. eta vs tors. theta energy: -189.473 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: 3, replica: 9 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2250.505004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.505004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.505004 (E_RNA) where: Base-Base interactions energy: -1583.740 where: short stacking energy: -663.557 Base-Backbone interact. energy: -4.166 local terms energy: -662.598498 where: bonds (distance) C4'-P energy: -124.999 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -138.238 flat angles P-C4'-P energy: -96.387 tors. eta vs tors. theta energy: -180.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2075.133964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.133964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.133964 (E_RNA) where: Base-Base interactions energy: -1459.860 where: short stacking energy: -618.934 Base-Backbone interact. energy: -2.883 local terms energy: -612.391672 where: bonds (distance) C4'-P energy: -125.492 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -89.578 tors. eta vs tors. theta energy: -161.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1980.336699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.336699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.336699 (E_RNA) where: Base-Base interactions energy: -1379.214 where: short stacking energy: -602.971 Base-Backbone interact. energy: -1.279 local terms energy: -599.843436 where: bonds (distance) C4'-P energy: -111.583 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -131.710 flat angles P-C4'-P energy: -85.205 tors. eta vs tors. theta energy: -152.370 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: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1782.882371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.882371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.882371 (E_RNA) where: Base-Base interactions energy: -1233.186 where: short stacking energy: -536.642 Base-Backbone interact. energy: -2.590 local terms energy: -547.106545 where: bonds (distance) C4'-P energy: -104.148 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -136.049 flat angles P-C4'-P energy: -55.253 tors. eta vs tors. theta energy: -123.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1625.572756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.572756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.572756 (E_RNA) where: Base-Base interactions energy: -1072.144 where: short stacking energy: -471.975 Base-Backbone interact. energy: 4.689 local terms energy: -558.118108 where: bonds (distance) C4'-P energy: -120.214 bonds (distance) P-C4' energy: -121.717 flat angles C4'-P-C4' energy: -117.115 flat angles P-C4'-P energy: -81.973 tors. eta vs tors. theta energy: -117.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1563.640273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.640273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.640273 (E_RNA) where: Base-Base interactions energy: -1065.848 where: short stacking energy: -471.188 Base-Backbone interact. energy: 1.806 local terms energy: -499.598546 where: bonds (distance) C4'-P energy: -109.799 bonds (distance) P-C4' energy: -110.182 flat angles C4'-P-C4' energy: -98.665 flat angles P-C4'-P energy: -71.749 tors. eta vs tors. theta energy: -109.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1343.810876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.810876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.810876 (E_RNA) where: Base-Base interactions energy: -844.799 where: short stacking energy: -379.470 Base-Backbone interact. energy: -2.050 local terms energy: -496.961721 where: bonds (distance) C4'-P energy: -114.815 bonds (distance) P-C4' energy: -105.156 flat angles C4'-P-C4' energy: -127.686 flat angles P-C4'-P energy: -81.552 tors. eta vs tors. theta energy: -67.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -766.859178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.859178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.859178 (E_RNA) where: Base-Base interactions energy: -394.238 where: short stacking energy: -229.697 Base-Backbone interact. energy: -2.844 local terms energy: -369.776839 where: bonds (distance) C4'-P energy: -105.881 bonds (distance) P-C4' energy: -104.575 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -59.774 tors. eta vs tors. theta energy: -14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2402.230382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.230382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.230382 (E_RNA) where: Base-Base interactions energy: -1724.302 where: short stacking energy: -706.147 Base-Backbone interact. energy: -1.830 local terms energy: -676.098276 where: bonds (distance) C4'-P energy: -126.709 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -145.960 flat angles P-C4'-P energy: -87.508 tors. eta vs tors. theta energy: -183.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2368.665495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.665495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.665495 (E_RNA) where: Base-Base interactions energy: -1663.069 where: short stacking energy: -696.676 Base-Backbone interact. energy: 0.203 local terms energy: -705.799434 where: bonds (distance) C4'-P energy: -122.352 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -147.639 flat angles P-C4'-P energy: -106.166 tors. eta vs tors. theta energy: -191.077 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: 9 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2238.080210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.080210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.080210 (E_RNA) where: Base-Base interactions energy: -1551.924 where: short stacking energy: -662.448 Base-Backbone interact. energy: -4.813 local terms energy: -681.342320 where: bonds (distance) C4'-P energy: -122.667 bonds (distance) P-C4' energy: -138.300 flat angles C4'-P-C4' energy: -142.682 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -189.503 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2087.229511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.229511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.229511 (E_RNA) where: Base-Base interactions energy: -1462.312 where: short stacking energy: -586.406 Base-Backbone interact. energy: -2.958 local terms energy: -621.960070 where: bonds (distance) C4'-P energy: -131.064 bonds (distance) P-C4' energy: -117.280 flat angles C4'-P-C4' energy: -133.009 flat angles P-C4'-P energy: -85.723 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: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1992.044436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.044436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.044436 (E_RNA) where: Base-Base interactions energy: -1390.630 where: short stacking energy: -613.239 Base-Backbone interact. energy: -4.328 local terms energy: -597.087044 where: bonds (distance) C4'-P energy: -114.594 bonds (distance) P-C4' energy: -117.738 flat angles C4'-P-C4' energy: -142.473 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -146.858 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1795.985181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.985181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.985181 (E_RNA) where: Base-Base interactions energy: -1237.998 where: short stacking energy: -520.298 Base-Backbone interact. energy: 5.999 local terms energy: -563.986265 where: bonds (distance) C4'-P energy: -104.678 bonds (distance) P-C4' energy: -127.415 flat angles C4'-P-C4' energy: -118.030 flat angles P-C4'-P energy: -82.696 tors. eta vs tors. theta energy: -131.168 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: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1651.317016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.317016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.317016 (E_RNA) where: Base-Base interactions energy: -1113.554 where: short stacking energy: -467.489 Base-Backbone interact. energy: 4.496 local terms energy: -542.259432 where: bonds (distance) C4'-P energy: -113.998 bonds (distance) P-C4' energy: -117.308 flat angles C4'-P-C4' energy: -124.954 flat angles P-C4'-P energy: -70.930 tors. eta vs tors. theta energy: -115.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1592.932657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.932657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.932657 (E_RNA) where: Base-Base interactions energy: -1073.857 where: short stacking energy: -465.142 Base-Backbone interact. energy: 3.002 local terms energy: -522.078259 where: bonds (distance) C4'-P energy: -111.624 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -119.729 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -111.311 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: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1343.995241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.995241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.995241 (E_RNA) where: Base-Base interactions energy: -880.830 where: short stacking energy: -407.321 Base-Backbone interact. energy: 0.495 local terms energy: -463.660303 where: bonds (distance) C4'-P energy: -102.745 bonds (distance) P-C4' energy: -101.309 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -83.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -777.878873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.878873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.878873 (E_RNA) where: Base-Base interactions energy: -408.653 where: short stacking energy: -227.790 Base-Backbone interact. energy: 0.966 local terms energy: -370.191758 where: bonds (distance) C4'-P energy: -105.845 bonds (distance) P-C4' energy: -116.971 flat angles C4'-P-C4' energy: -84.982 flat angles P-C4'-P energy: -49.387 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2398.289524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.289524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.289524 (E_RNA) where: Base-Base interactions energy: -1663.544 where: short stacking energy: -659.456 Base-Backbone interact. energy: -2.158 local terms energy: -732.588362 where: bonds (distance) C4'-P energy: -134.190 bonds (distance) P-C4' energy: -147.279 flat angles C4'-P-C4' energy: -147.754 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -187.766 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: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2353.107555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.107555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.107555 (E_RNA) where: Base-Base interactions energy: -1647.179 where: short stacking energy: -696.357 Base-Backbone interact. energy: -2.100 local terms energy: -703.829017 where: bonds (distance) C4'-P energy: -125.414 bonds (distance) P-C4' energy: -138.023 flat angles C4'-P-C4' energy: -152.012 flat angles P-C4'-P energy: -90.387 tors. eta vs tors. theta energy: -197.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2237.576274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.576274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.576274 (E_RNA) where: Base-Base interactions energy: -1582.605 where: short stacking energy: -650.472 Base-Backbone interact. energy: 2.077 local terms energy: -657.048188 where: bonds (distance) C4'-P energy: -111.861 bonds (distance) P-C4' energy: -121.989 flat angles C4'-P-C4' energy: -146.755 flat angles P-C4'-P energy: -98.931 tors. eta vs tors. theta energy: -177.511 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: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2094.508723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.508723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.508723 (E_RNA) where: Base-Base interactions energy: -1487.218 where: short stacking energy: -610.771 Base-Backbone interact. energy: -4.264 local terms energy: -603.027248 where: bonds (distance) C4'-P energy: -110.422 bonds (distance) P-C4' energy: -107.361 flat angles C4'-P-C4' energy: -137.231 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -168.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1992.915850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.915850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.915850 (E_RNA) where: Base-Base interactions energy: -1388.848 where: short stacking energy: -570.993 Base-Backbone interact. energy: -1.579 local terms energy: -602.488226 where: bonds (distance) C4'-P energy: -103.658 bonds (distance) P-C4' energy: -130.270 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -96.287 tors. eta vs tors. theta energy: -156.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1788.050437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.050437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.050437 (E_RNA) where: Base-Base interactions energy: -1251.916 where: short stacking energy: -547.259 Base-Backbone interact. energy: -0.649 local terms energy: -535.485245 where: bonds (distance) C4'-P energy: -95.432 bonds (distance) P-C4' energy: -121.271 flat angles C4'-P-C4' energy: -117.651 flat angles P-C4'-P energy: -65.561 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: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1635.735483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.735483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.735483 (E_RNA) where: Base-Base interactions energy: -1071.041 where: short stacking energy: -463.904 Base-Backbone interact. energy: -1.413 local terms energy: -563.281425 where: bonds (distance) C4'-P energy: -113.640 bonds (distance) P-C4' energy: -112.714 flat angles C4'-P-C4' energy: -122.993 flat angles P-C4'-P energy: -88.642 tors. eta vs tors. theta energy: -125.294 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: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1490.786388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.786388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.786388 (E_RNA) where: Base-Base interactions energy: -1028.784 where: short stacking energy: -426.484 Base-Backbone interact. energy: -1.229 local terms energy: -460.773157 where: bonds (distance) C4'-P energy: -113.282 bonds (distance) P-C4' energy: -106.118 flat angles C4'-P-C4' energy: -96.515 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -77.450 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: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1328.152107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.152107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.152107 (E_RNA) where: Base-Base interactions energy: -881.024 where: short stacking energy: -396.641 Base-Backbone interact. energy: 0.141 local terms energy: -447.269964 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -108.015 flat angles C4'-P-C4' energy: -108.477 flat angles P-C4'-P energy: -55.926 tors. eta vs tors. theta energy: -79.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -741.098181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.098181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.098181 (E_RNA) where: Base-Base interactions energy: -382.211 where: short stacking energy: -221.731 Base-Backbone interact. energy: 2.679 local terms energy: -361.565271 where: bonds (distance) C4'-P energy: -107.618 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -95.639 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: -10.360 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: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2369.725003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.725003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.725003 (E_RNA) where: Base-Base interactions energy: -1678.971 where: short stacking energy: -680.065 Base-Backbone interact. energy: -5.827 local terms energy: -684.926597 where: bonds (distance) C4'-P energy: -132.274 bonds (distance) P-C4' energy: -135.333 flat angles C4'-P-C4' energy: -141.484 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -184.568 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: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2341.249537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.249537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.249537 (E_RNA) where: Base-Base interactions energy: -1630.830 where: short stacking energy: -691.479 Base-Backbone interact. energy: -3.223 local terms energy: -707.196300 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -134.027 flat angles C4'-P-C4' energy: -149.280 flat angles P-C4'-P energy: -98.539 tors. eta vs tors. theta energy: -182.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2232.260659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.260659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.260659 (E_RNA) where: Base-Base interactions energy: -1566.961 where: short stacking energy: -675.089 Base-Backbone interact. energy: -1.585 local terms energy: -663.714745 where: bonds (distance) C4'-P energy: -112.897 bonds (distance) P-C4' energy: -117.788 flat angles C4'-P-C4' energy: -153.364 flat angles P-C4'-P energy: -88.405 tors. eta vs tors. theta energy: -191.261 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2099.327432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.327432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.327432 (E_RNA) where: Base-Base interactions energy: -1459.121 where: short stacking energy: -634.310 Base-Backbone interact. energy: -3.838 local terms energy: -636.368365 where: bonds (distance) C4'-P energy: -108.189 bonds (distance) P-C4' energy: -136.205 flat angles C4'-P-C4' energy: -139.547 flat angles P-C4'-P energy: -87.055 tors. eta vs tors. theta energy: -165.372 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: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1948.372330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.372330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.372330 (E_RNA) where: Base-Base interactions energy: -1324.113 where: short stacking energy: -556.830 Base-Backbone interact. energy: -3.566 local terms energy: -620.692699 where: bonds (distance) C4'-P energy: -119.814 bonds (distance) P-C4' energy: -127.432 flat angles C4'-P-C4' energy: -147.824 flat angles P-C4'-P energy: -77.243 tors. eta vs tors. theta energy: -148.379 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: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1730.251094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.251094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.251094 (E_RNA) where: Base-Base interactions energy: -1165.618 where: short stacking energy: -519.949 Base-Backbone interact. energy: 0.041 local terms energy: -564.674414 where: bonds (distance) C4'-P energy: -100.882 bonds (distance) P-C4' energy: -129.206 flat angles C4'-P-C4' energy: -137.913 flat angles P-C4'-P energy: -60.882 tors. eta vs tors. theta energy: -135.791 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: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1640.310270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.310270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.310270 (E_RNA) where: Base-Base interactions energy: -1105.935 where: short stacking energy: -459.860 Base-Backbone interact. energy: -4.754 local terms energy: -529.620967 where: bonds (distance) C4'-P energy: -97.583 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -105.333 flat angles P-C4'-P energy: -86.009 tors. eta vs tors. theta energy: -116.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1620.842139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.842139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.842139 (E_RNA) where: Base-Base interactions energy: -1096.640 where: short stacking energy: -476.856 Base-Backbone interact. energy: -1.617 local terms energy: -522.584790 where: bonds (distance) C4'-P energy: -102.515 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -117.643 flat angles P-C4'-P energy: -83.382 tors. eta vs tors. theta energy: -114.424 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: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1336.948655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.948655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.948655 (E_RNA) where: Base-Base interactions energy: -854.942 where: short stacking energy: -396.149 Base-Backbone interact. energy: -0.556 local terms energy: -481.450716 where: bonds (distance) C4'-P energy: -109.732 bonds (distance) P-C4' energy: -109.575 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -69.546 tors. eta vs tors. theta energy: -77.860 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: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -756.713956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.713956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.713956 (E_RNA) where: Base-Base interactions energy: -357.576 where: short stacking energy: -216.073 Base-Backbone interact. energy: 3.269 local terms energy: -402.406152 where: bonds (distance) C4'-P energy: -109.194 bonds (distance) P-C4' energy: -124.254 flat angles C4'-P-C4' energy: -102.321 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: 0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2393.314202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.314202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.314202 (E_RNA) where: Base-Base interactions energy: -1698.124 where: short stacking energy: -670.971 Base-Backbone interact. energy: -1.898 local terms energy: -693.292171 where: bonds (distance) C4'-P energy: -134.335 bonds (distance) P-C4' energy: -134.510 flat angles C4'-P-C4' energy: -141.058 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -179.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2333.738437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.738437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.738437 (E_RNA) where: Base-Base interactions energy: -1626.563 where: short stacking energy: -686.096 Base-Backbone interact. energy: -1.082 local terms energy: -706.093209 where: bonds (distance) C4'-P energy: -138.609 bonds (distance) P-C4' energy: -118.171 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -106.391 tors. eta vs tors. theta energy: -192.297 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: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2222.466125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.466125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.466125 (E_RNA) where: Base-Base interactions energy: -1573.797 where: short stacking energy: -662.697 Base-Backbone interact. energy: -2.031 local terms energy: -646.637618 where: bonds (distance) C4'-P energy: -106.056 bonds (distance) P-C4' energy: -113.684 flat angles C4'-P-C4' energy: -139.305 flat angles P-C4'-P energy: -98.247 tors. eta vs tors. theta energy: -189.345 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: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2087.018643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.018643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.018643 (E_RNA) where: Base-Base interactions energy: -1449.281 where: short stacking energy: -620.413 Base-Backbone interact. energy: -3.967 local terms energy: -633.771242 where: bonds (distance) C4'-P energy: -138.668 bonds (distance) P-C4' energy: -129.653 flat angles C4'-P-C4' energy: -119.187 flat angles P-C4'-P energy: -87.981 tors. eta vs tors. theta energy: -158.282 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2017.102531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.102531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.102531 (E_RNA) where: Base-Base interactions energy: -1392.583 where: short stacking energy: -594.347 Base-Backbone interact. energy: -0.302 local terms energy: -624.217955 where: bonds (distance) C4'-P energy: -127.681 bonds (distance) P-C4' energy: -115.429 flat angles C4'-P-C4' energy: -130.493 flat angles P-C4'-P energy: -82.321 tors. eta vs tors. theta energy: -168.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1748.948939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.948939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.948939 (E_RNA) where: Base-Base interactions energy: -1172.946 where: short stacking energy: -503.587 Base-Backbone interact. energy: -2.254 local terms energy: -573.748981 where: bonds (distance) C4'-P energy: -112.003 bonds (distance) P-C4' energy: -132.618 flat angles C4'-P-C4' energy: -125.281 flat angles P-C4'-P energy: -84.172 tors. eta vs tors. theta energy: -119.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1615.349035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.349035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.349035 (E_RNA) where: Base-Base interactions energy: -1108.443 where: short stacking energy: -474.014 Base-Backbone interact. energy: -2.169 local terms energy: -504.737105 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -125.446 flat angles P-C4'-P energy: -65.601 tors. eta vs tors. theta energy: -98.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1569.136469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.136469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.136469 (E_RNA) where: Base-Base interactions energy: -1071.624 where: short stacking energy: -449.538 Base-Backbone interact. energy: 0.244 local terms energy: -497.755672 where: bonds (distance) C4'-P energy: -99.351 bonds (distance) P-C4' energy: -94.720 flat angles C4'-P-C4' energy: -120.002 flat angles P-C4'-P energy: -74.538 tors. eta vs tors. theta energy: -109.146 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: 7 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1293.687233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.687233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.687233 (E_RNA) where: Base-Base interactions energy: -828.483 where: short stacking energy: -367.693 Base-Backbone interact. energy: -4.744 local terms energy: -460.459397 where: bonds (distance) C4'-P energy: -125.017 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -75.123 tors. eta vs tors. theta energy: -60.898 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: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -796.879560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.879560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.879560 (E_RNA) where: Base-Base interactions energy: -418.155 where: short stacking energy: -249.360 Base-Backbone interact. energy: 3.235 local terms energy: -381.958968 where: bonds (distance) C4'-P energy: -110.684 bonds (distance) P-C4' energy: -109.125 flat angles C4'-P-C4' energy: -97.272 flat angles P-C4'-P energy: -48.929 tors. eta vs tors. theta energy: -15.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2375.686964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.686964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.686964 (E_RNA) where: Base-Base interactions energy: -1678.418 where: short stacking energy: -682.528 Base-Backbone interact. energy: -5.928 local terms energy: -691.340015 where: bonds (distance) C4'-P energy: -135.141 bonds (distance) P-C4' energy: -127.896 flat angles C4'-P-C4' energy: -145.769 flat angles P-C4'-P energy: -108.885 tors. eta vs tors. theta energy: -173.649 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: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2342.759380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.759380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.759380 (E_RNA) where: Base-Base interactions energy: -1675.118 where: short stacking energy: -706.700 Base-Backbone interact. energy: -2.523 local terms energy: -665.117866 where: bonds (distance) C4'-P energy: -117.298 bonds (distance) P-C4' energy: -128.570 flat angles C4'-P-C4' energy: -139.933 flat angles P-C4'-P energy: -88.376 tors. eta vs tors. theta energy: -190.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2229.349902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.349902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.349902 (E_RNA) where: Base-Base interactions energy: -1556.967 where: short stacking energy: -674.565 Base-Backbone interact. energy: 1.678 local terms energy: -674.061106 where: bonds (distance) C4'-P energy: -131.421 bonds (distance) P-C4' energy: -121.516 flat angles C4'-P-C4' energy: -143.946 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -186.788 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: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2124.105594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.105594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.105594 (E_RNA) where: Base-Base interactions energy: -1478.722 where: short stacking energy: -620.063 Base-Backbone interact. energy: -6.632 local terms energy: -638.751542 where: bonds (distance) C4'-P energy: -129.789 bonds (distance) P-C4' energy: -121.060 flat angles C4'-P-C4' energy: -137.881 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -170.997 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: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1971.039766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.039766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.039766 (E_RNA) where: Base-Base interactions energy: -1368.633 where: short stacking energy: -568.269 Base-Backbone interact. energy: -3.600 local terms energy: -598.806801 where: bonds (distance) C4'-P energy: -103.268 bonds (distance) P-C4' energy: -117.625 flat angles C4'-P-C4' energy: -144.654 flat angles P-C4'-P energy: -84.573 tors. eta vs tors. theta energy: -148.686 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: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1757.928412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.928412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.928412 (E_RNA) where: Base-Base interactions energy: -1217.690 where: short stacking energy: -535.830 Base-Backbone interact. energy: -4.711 local terms energy: -535.527045 where: bonds (distance) C4'-P energy: -102.529 bonds (distance) P-C4' energy: -92.361 flat angles C4'-P-C4' energy: -116.580 flat angles P-C4'-P energy: -83.845 tors. eta vs tors. theta energy: -140.211 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: 253 Temperature: 1.200000 Total energy: -1584.503937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.503937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.503937 (E_RNA) where: Base-Base interactions energy: -1096.418 where: short stacking energy: -467.379 Base-Backbone interact. energy: -2.406 local terms energy: -485.679746 where: bonds (distance) C4'-P energy: -97.611 bonds (distance) P-C4' energy: -115.755 flat angles C4'-P-C4' energy: -117.203 flat angles P-C4'-P energy: -56.365 tors. eta vs tors. theta energy: -98.746 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: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1570.612999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.612999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.612999 (E_RNA) where: Base-Base interactions energy: -1067.116 where: short stacking energy: -491.643 Base-Backbone interact. energy: -2.397 local terms energy: -501.100152 where: bonds (distance) C4'-P energy: -97.609 bonds (distance) P-C4' energy: -114.324 flat angles C4'-P-C4' energy: -123.767 flat angles P-C4'-P energy: -50.245 tors. eta vs tors. theta energy: -115.155 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: 9, replica: 7 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1330.307284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.307284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.307284 (E_RNA) where: Base-Base interactions energy: -872.896 where: short stacking energy: -357.364 Base-Backbone interact. energy: -1.549 local terms energy: -455.861814 where: bonds (distance) C4'-P energy: -102.345 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -113.847 flat angles P-C4'-P energy: -78.761 tors. eta vs tors. theta energy: -59.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -854.715706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.715706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.715706 (E_RNA) where: Base-Base interactions energy: -463.915 where: short stacking energy: -257.006 Base-Backbone interact. energy: -0.064 local terms energy: -390.736467 where: bonds (distance) C4'-P energy: -87.868 bonds (distance) P-C4' energy: -108.760 flat angles C4'-P-C4' energy: -106.033 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -6.459 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: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2374.785839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.785839 (E_RNA) where: Base-Base interactions energy: -1688.230 where: short stacking energy: -682.639 Base-Backbone interact. energy: -3.545 local terms energy: -683.010106 where: bonds (distance) C4'-P energy: -124.648 bonds (distance) P-C4' energy: -132.285 flat angles C4'-P-C4' energy: -147.768 flat angles P-C4'-P energy: -97.741 tors. eta vs tors. theta energy: -180.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2297.178954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.178954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.178954 (E_RNA) where: Base-Base interactions energy: -1640.585 where: short stacking energy: -686.092 Base-Backbone interact. energy: -3.921 local terms energy: -652.672588 where: bonds (distance) C4'-P energy: -103.615 bonds (distance) P-C4' energy: -130.894 flat angles C4'-P-C4' energy: -139.534 flat angles P-C4'-P energy: -96.649 tors. eta vs tors. theta energy: -181.981 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: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2174.315722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.315722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.315722 (E_RNA) where: Base-Base interactions energy: -1515.593 where: short stacking energy: -646.672 Base-Backbone interact. energy: -1.068 local terms energy: -657.654973 where: bonds (distance) C4'-P energy: -121.496 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -134.801 flat angles P-C4'-P energy: -92.934 tors. eta vs tors. theta energy: -179.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2122.394820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.394820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.394820 (E_RNA) where: Base-Base interactions energy: -1505.393 where: short stacking energy: -612.820 Base-Backbone interact. energy: -3.584 local terms energy: -613.418488 where: bonds (distance) C4'-P energy: -106.371 bonds (distance) P-C4' energy: -117.480 flat angles C4'-P-C4' energy: -136.136 flat angles P-C4'-P energy: -93.021 tors. eta vs tors. theta energy: -160.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1802.636091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.636091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.636091 (E_RNA) where: Base-Base interactions energy: -1211.079 where: short stacking energy: -536.543 Base-Backbone interact. energy: -1.414 local terms energy: -590.142815 where: bonds (distance) C4'-P energy: -122.962 bonds (distance) P-C4' energy: -119.430 flat angles C4'-P-C4' energy: -139.301 flat angles P-C4'-P energy: -66.636 tors. eta vs tors. theta energy: -141.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1881.774126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.774126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.774126 (E_RNA) where: Base-Base interactions energy: -1295.449 where: short stacking energy: -524.782 Base-Backbone interact. energy: -1.740 local terms energy: -584.585791 where: bonds (distance) C4'-P energy: -113.594 bonds (distance) P-C4' energy: -118.162 flat angles C4'-P-C4' energy: -142.622 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -139.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1617.852384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.852384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.852384 (E_RNA) where: Base-Base interactions energy: -1119.499 where: short stacking energy: -462.968 Base-Backbone interact. energy: -2.222 local terms energy: -496.131315 where: bonds (distance) C4'-P energy: -113.124 bonds (distance) P-C4' energy: -92.689 flat angles C4'-P-C4' energy: -113.745 flat angles P-C4'-P energy: -58.959 tors. eta vs tors. theta energy: -117.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1535.544927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.544927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.544927 (E_RNA) where: Base-Base interactions energy: -1054.419 where: short stacking energy: -443.235 Base-Backbone interact. energy: -0.744 local terms energy: -480.381193 where: bonds (distance) C4'-P energy: -84.289 bonds (distance) P-C4' energy: -110.035 flat angles C4'-P-C4' energy: -106.710 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -118.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1349.231584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.231584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.231584 (E_RNA) where: Base-Base interactions energy: -878.257 where: short stacking energy: -369.982 Base-Backbone interact. energy: 4.801 local terms energy: -475.774994 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -110.434 flat angles C4'-P-C4' energy: -109.705 flat angles P-C4'-P energy: -76.490 tors. eta vs tors. theta energy: -65.589 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: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -828.588079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.588079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.588079 (E_RNA) where: Base-Base interactions energy: -467.088 where: short stacking energy: -243.743 Base-Backbone interact. energy: -2.227 local terms energy: -359.273452 where: bonds (distance) C4'-P energy: -94.490 bonds (distance) P-C4' energy: -90.724 flat angles C4'-P-C4' energy: -97.716 flat angles P-C4'-P energy: -56.832 tors. eta vs tors. theta energy: -19.512 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: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2413.055929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.055929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.055929 (E_RNA) where: Base-Base interactions energy: -1719.119 where: short stacking energy: -685.064 Base-Backbone interact. energy: -3.378 local terms energy: -690.558555 where: bonds (distance) C4'-P energy: -132.177 bonds (distance) P-C4' energy: -126.460 flat angles C4'-P-C4' energy: -161.155 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -170.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2338.344438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.344438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.344438 (E_RNA) where: Base-Base interactions energy: -1672.781 where: short stacking energy: -690.802 Base-Backbone interact. energy: -3.351 local terms energy: -662.212128 where: bonds (distance) C4'-P energy: -112.418 bonds (distance) P-C4' energy: -138.255 flat angles C4'-P-C4' energy: -143.164 flat angles P-C4'-P energy: -89.288 tors. eta vs tors. theta energy: -179.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2222.080830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.080830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.080830 (E_RNA) where: Base-Base interactions energy: -1562.287 where: short stacking energy: -652.736 Base-Backbone interact. energy: 2.954 local terms energy: -662.747552 where: bonds (distance) C4'-P energy: -114.257 bonds (distance) P-C4' energy: -132.636 flat angles C4'-P-C4' energy: -145.051 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -176.863 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: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2112.666395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.666395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.666395 (E_RNA) where: Base-Base interactions energy: -1483.971 where: short stacking energy: -612.791 Base-Backbone interact. energy: -2.036 local terms energy: -626.659232 where: bonds (distance) C4'-P energy: -124.630 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -137.973 flat angles P-C4'-P energy: -90.573 tors. eta vs tors. theta energy: -164.793 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: 255 Temperature: 1.100000 Total energy: -1889.722883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.722883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.722883 (E_RNA) where: Base-Base interactions energy: -1293.615 where: short stacking energy: -547.668 Base-Backbone interact. energy: -2.787 local terms energy: -593.320775 where: bonds (distance) C4'-P energy: -122.429 bonds (distance) P-C4' energy: -121.547 flat angles C4'-P-C4' energy: -140.328 flat angles P-C4'-P energy: -70.925 tors. eta vs tors. theta energy: -138.092 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: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1861.036061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.036061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.036061 (E_RNA) where: Base-Base interactions energy: -1280.077 where: short stacking energy: -545.538 Base-Backbone interact. energy: -4.067 local terms energy: -576.891965 where: bonds (distance) C4'-P energy: -135.751 bonds (distance) P-C4' energy: -105.614 flat angles C4'-P-C4' energy: -114.351 flat angles P-C4'-P energy: -76.218 tors. eta vs tors. theta energy: -144.958 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: 255 Temperature: 1.200000 Total energy: -1672.858076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.858076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.858076 (E_RNA) where: Base-Base interactions energy: -1113.869 where: short stacking energy: -463.918 Base-Backbone interact. energy: -1.622 local terms energy: -557.367566 where: bonds (distance) C4'-P energy: -110.004 bonds (distance) P-C4' energy: -128.017 flat angles C4'-P-C4' energy: -128.714 flat angles P-C4'-P energy: -70.577 tors. eta vs tors. theta energy: -120.057 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: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1552.534749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.534749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.534749 (E_RNA) where: Base-Base interactions energy: -1061.331 where: short stacking energy: -456.695 Base-Backbone interact. energy: 0.492 local terms energy: -491.694776 where: bonds (distance) C4'-P energy: -97.107 bonds (distance) P-C4' energy: -107.750 flat angles C4'-P-C4' energy: -107.130 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -103.903 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: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1229.083917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.083917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.083917 (E_RNA) where: Base-Base interactions energy: -791.537 where: short stacking energy: -359.237 Base-Backbone interact. energy: -3.617 local terms energy: -433.929771 where: bonds (distance) C4'-P energy: -87.489 bonds (distance) P-C4' energy: -96.653 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -64.754 tors. eta vs tors. theta energy: -62.640 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: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -898.551469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.551469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.551469 (E_RNA) where: Base-Base interactions energy: -522.802 where: short stacking energy: -261.122 Base-Backbone interact. energy: -0.536 local terms energy: -375.213180 where: bonds (distance) C4'-P energy: -99.746 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -112.821 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -9.151 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: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2398.055048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.055048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.055048 (E_RNA) where: Base-Base interactions energy: -1708.672 where: short stacking energy: -669.736 Base-Backbone interact. energy: -1.565 local terms energy: -687.817587 where: bonds (distance) C4'-P energy: -125.924 bonds (distance) P-C4' energy: -132.747 flat angles C4'-P-C4' energy: -149.512 flat angles P-C4'-P energy: -107.421 tors. eta vs tors. theta energy: -172.214 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: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2361.731028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.731028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.731028 (E_RNA) where: Base-Base interactions energy: -1680.874 where: short stacking energy: -701.719 Base-Backbone interact. energy: 1.192 local terms energy: -682.049567 where: bonds (distance) C4'-P energy: -121.906 bonds (distance) P-C4' energy: -138.287 flat angles C4'-P-C4' energy: -141.837 flat angles P-C4'-P energy: -91.106 tors. eta vs tors. theta energy: -188.914 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: 3, replica: 4 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2110.065141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.065141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.065141 (E_RNA) where: Base-Base interactions energy: -1463.756 where: short stacking energy: -622.262 Base-Backbone interact. energy: -3.806 local terms energy: -642.502501 where: bonds (distance) C4'-P energy: -111.993 bonds (distance) P-C4' energy: -120.330 flat angles C4'-P-C4' energy: -144.001 flat angles P-C4'-P energy: -103.062 tors. eta vs tors. theta energy: -163.117 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: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2150.558545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.558545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.558545 (E_RNA) where: Base-Base interactions energy: -1537.850 where: short stacking energy: -630.897 Base-Backbone interact. energy: -5.759 local terms energy: -606.948987 where: bonds (distance) C4'-P energy: -104.949 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -142.934 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -163.537 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: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1892.850526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.850526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.850526 (E_RNA) where: Base-Base interactions energy: -1290.235 where: short stacking energy: -557.335 Base-Backbone interact. energy: -1.999 local terms energy: -600.616330 where: bonds (distance) C4'-P energy: -129.802 bonds (distance) P-C4' energy: -124.364 flat angles C4'-P-C4' energy: -136.060 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -135.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1883.703871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.703871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.703871 (E_RNA) where: Base-Base interactions energy: -1323.412 where: short stacking energy: -541.145 Base-Backbone interact. energy: -3.346 local terms energy: -556.945723 where: bonds (distance) C4'-P energy: -104.775 bonds (distance) P-C4' energy: -114.104 flat angles C4'-P-C4' energy: -130.765 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -136.722 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: 7, replica: 8 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1601.905860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.905860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.905860 (E_RNA) where: Base-Base interactions energy: -1073.048 where: short stacking energy: -481.871 Base-Backbone interact. energy: -1.434 local terms energy: -527.423349 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -113.183 flat angles C4'-P-C4' energy: -120.417 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -104.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1562.645421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.645421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.645421 (E_RNA) where: Base-Base interactions energy: -1064.485 where: short stacking energy: -442.769 Base-Backbone interact. energy: -0.759 local terms energy: -497.401634 where: bonds (distance) C4'-P energy: -99.709 bonds (distance) P-C4' energy: -96.015 flat angles C4'-P-C4' energy: -114.461 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -100.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1231.567674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.567674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.567674 (E_RNA) where: Base-Base interactions energy: -812.288 where: short stacking energy: -375.908 Base-Backbone interact. energy: 7.041 local terms energy: -426.320258 where: bonds (distance) C4'-P energy: -96.653 bonds (distance) P-C4' energy: -109.381 flat angles C4'-P-C4' energy: -93.424 flat angles P-C4'-P energy: -75.643 tors. eta vs tors. theta energy: -51.219 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: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -969.035645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.035645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.035645 (E_RNA) where: Base-Base interactions energy: -567.707 where: short stacking energy: -296.576 Base-Backbone interact. energy: 3.432 local terms energy: -404.761086 where: bonds (distance) C4'-P energy: -93.266 bonds (distance) P-C4' energy: -113.519 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -38.715 tors. eta vs tors. theta energy: -52.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2379.209259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.209259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.209259 (E_RNA) where: Base-Base interactions energy: -1683.874 where: short stacking energy: -676.000 Base-Backbone interact. energy: -1.193 local terms energy: -694.141822 where: bonds (distance) C4'-P energy: -131.471 bonds (distance) P-C4' energy: -126.771 flat angles C4'-P-C4' energy: -155.375 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -184.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2351.847924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.847924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.847924 (E_RNA) where: Base-Base interactions energy: -1651.282 where: short stacking energy: -689.675 Base-Backbone interact. energy: -5.653 local terms energy: -694.913071 where: bonds (distance) C4'-P energy: -120.507 bonds (distance) P-C4' energy: -140.394 flat angles C4'-P-C4' energy: -145.244 flat angles P-C4'-P energy: -98.917 tors. eta vs tors. theta energy: -189.852 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: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2153.318503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.318503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.318503 (E_RNA) where: Base-Base interactions energy: -1510.026 where: short stacking energy: -645.710 Base-Backbone interact. energy: -2.728 local terms energy: -640.563933 where: bonds (distance) C4'-P energy: -114.506 bonds (distance) P-C4' energy: -124.939 flat angles C4'-P-C4' energy: -144.779 flat angles P-C4'-P energy: -95.260 tors. eta vs tors. theta energy: -161.080 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: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2178.269131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.269131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.269131 (E_RNA) where: Base-Base interactions energy: -1542.591 where: short stacking energy: -630.703 Base-Backbone interact. energy: 1.463 local terms energy: -637.140592 where: bonds (distance) C4'-P energy: -115.027 bonds (distance) P-C4' energy: -114.034 flat angles C4'-P-C4' energy: -141.016 flat angles P-C4'-P energy: -89.273 tors. eta vs tors. theta energy: -177.791 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: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1879.931366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.931366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.931366 (E_RNA) where: Base-Base interactions energy: -1279.381 where: short stacking energy: -554.591 Base-Backbone interact. energy: 0.564 local terms energy: -601.113876 where: bonds (distance) C4'-P energy: -110.520 bonds (distance) P-C4' energy: -120.870 flat angles C4'-P-C4' energy: -145.765 flat angles P-C4'-P energy: -85.016 tors. eta vs tors. theta energy: -138.943 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: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1885.135261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.135261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.135261 (E_RNA) where: Base-Base interactions energy: -1305.302 where: short stacking energy: -546.820 Base-Backbone interact. energy: -2.330 local terms energy: -577.503013 where: bonds (distance) C4'-P energy: -92.293 bonds (distance) P-C4' energy: -133.284 flat angles C4'-P-C4' energy: -128.913 flat angles P-C4'-P energy: -85.369 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: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1623.301988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.301988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.301988 (E_RNA) where: Base-Base interactions energy: -1103.685 where: short stacking energy: -468.133 Base-Backbone interact. energy: -1.931 local terms energy: -517.686244 where: bonds (distance) C4'-P energy: -114.430 bonds (distance) P-C4' energy: -97.811 flat angles C4'-P-C4' energy: -114.307 flat angles P-C4'-P energy: -81.882 tors. eta vs tors. theta energy: -109.255 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: 257 Temperature: 1.250000 Total energy: -1588.280291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.280291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.280291 (E_RNA) where: Base-Base interactions energy: -1094.238 where: short stacking energy: -466.856 Base-Backbone interact. energy: -1.276 local terms energy: -492.766329 where: bonds (distance) C4'-P energy: -114.093 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -109.912 flat angles P-C4'-P energy: -71.327 tors. eta vs tors. theta energy: -97.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1263.979594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.979594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.979594 (E_RNA) where: Base-Base interactions energy: -817.803 where: short stacking energy: -381.338 Base-Backbone interact. energy: 0.523 local terms energy: -446.698956 where: bonds (distance) C4'-P energy: -91.028 bonds (distance) P-C4' energy: -117.933 flat angles C4'-P-C4' energy: -116.473 flat angles P-C4'-P energy: -45.413 tors. eta vs tors. theta energy: -75.850 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: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -827.294660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.294660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.294660 (E_RNA) where: Base-Base interactions energy: -466.221 where: short stacking energy: -247.440 Base-Backbone interact. energy: 9.974 local terms energy: -371.047701 where: bonds (distance) C4'-P energy: -103.741 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -93.320 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -18.307 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: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2408.651746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.651746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.651746 (E_RNA) where: Base-Base interactions energy: -1719.636 where: short stacking energy: -678.518 Base-Backbone interact. energy: -4.692 local terms energy: -684.323922 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -125.147 flat angles C4'-P-C4' energy: -150.662 flat angles P-C4'-P energy: -103.207 tors. eta vs tors. theta energy: -173.057 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: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2346.507327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.507327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.507327 (E_RNA) where: Base-Base interactions energy: -1655.448 where: short stacking energy: -694.140 Base-Backbone interact. energy: 2.094 local terms energy: -693.153454 where: bonds (distance) C4'-P energy: -124.040 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -140.745 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -189.497 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: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2203.750331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.750331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.750331 (E_RNA) where: Base-Base interactions energy: -1538.317 where: short stacking energy: -645.316 Base-Backbone interact. energy: -0.561 local terms energy: -664.872453 where: bonds (distance) C4'-P energy: -114.548 bonds (distance) P-C4' energy: -122.929 flat angles C4'-P-C4' energy: -143.030 flat angles P-C4'-P energy: -98.535 tors. eta vs tors. theta energy: -185.831 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: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2114.917033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.917033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.917033 (E_RNA) where: Base-Base interactions energy: -1480.180 where: short stacking energy: -603.648 Base-Backbone interact. energy: -7.806 local terms energy: -626.931048 where: bonds (distance) C4'-P energy: -117.507 bonds (distance) P-C4' energy: -122.168 flat angles C4'-P-C4' energy: -122.453 flat angles P-C4'-P energy: -88.288 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: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1868.590867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.590867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.590867 (E_RNA) where: Base-Base interactions energy: -1285.623 where: short stacking energy: -537.818 Base-Backbone interact. energy: -2.210 local terms energy: -580.757268 where: bonds (distance) C4'-P energy: -97.323 bonds (distance) P-C4' energy: -118.494 flat angles C4'-P-C4' energy: -126.384 flat angles P-C4'-P energy: -95.653 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: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1850.937331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.937331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.937331 (E_RNA) where: Base-Base interactions energy: -1291.726 where: short stacking energy: -569.280 Base-Backbone interact. energy: -6.050 local terms energy: -553.161405 where: bonds (distance) C4'-P energy: -88.523 bonds (distance) P-C4' energy: -113.902 flat angles C4'-P-C4' energy: -132.048 flat angles P-C4'-P energy: -78.458 tors. eta vs tors. theta energy: -140.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1611.445596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.445596 (E_RNA) where: Base-Base interactions energy: -1076.315 where: short stacking energy: -434.090 Base-Backbone interact. energy: -1.783 local terms energy: -533.348140 where: bonds (distance) C4'-P energy: -125.192 bonds (distance) P-C4' energy: -116.286 flat angles C4'-P-C4' energy: -119.952 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -94.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1608.401160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.401160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.401160 (E_RNA) where: Base-Base interactions energy: -1120.770 where: short stacking energy: -476.262 Base-Backbone interact. energy: -0.207 local terms energy: -487.424964 where: bonds (distance) C4'-P energy: -92.966 bonds (distance) P-C4' energy: -85.026 flat angles C4'-P-C4' energy: -120.520 flat angles P-C4'-P energy: -74.476 tors. eta vs tors. theta energy: -114.437 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: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1233.175061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.175061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.175061 (E_RNA) where: Base-Base interactions energy: -768.047 where: short stacking energy: -375.498 Base-Backbone interact. energy: 4.377 local terms energy: -469.504718 where: bonds (distance) C4'-P energy: -112.260 bonds (distance) P-C4' energy: -107.578 flat angles C4'-P-C4' energy: -113.760 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -75.113 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: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -824.158523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.158523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.158523 (E_RNA) where: Base-Base interactions energy: -405.490 where: short stacking energy: -211.775 Base-Backbone interact. energy: 0.772 local terms energy: -419.441179 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -111.086 flat angles P-C4'-P energy: -74.746 tors. eta vs tors. theta energy: -15.318 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: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2403.821119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.821119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.821119 (E_RNA) where: Base-Base interactions energy: -1701.813 where: short stacking energy: -686.259 Base-Backbone interact. energy: -2.344 local terms energy: -699.664079 where: bonds (distance) C4'-P energy: -141.665 bonds (distance) P-C4' energy: -129.527 flat angles C4'-P-C4' energy: -154.072 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -177.467 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: 259 Temperature: 0.950000 Total energy: -2361.393266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.393266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.393266 (E_RNA) where: Base-Base interactions energy: -1662.832 where: short stacking energy: -717.211 Base-Backbone interact. energy: -0.642 local terms energy: -697.919296 where: bonds (distance) C4'-P energy: -134.110 bonds (distance) P-C4' energy: -127.562 flat angles C4'-P-C4' energy: -153.768 flat angles P-C4'-P energy: -94.327 tors. eta vs tors. theta energy: -188.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2247.535268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.535268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.535268 (E_RNA) where: Base-Base interactions energy: -1564.920 where: short stacking energy: -674.908 Base-Backbone interact. energy: 1.656 local terms energy: -684.271315 where: bonds (distance) C4'-P energy: -124.547 bonds (distance) P-C4' energy: -133.586 flat angles C4'-P-C4' energy: -149.012 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -184.240 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2107.276764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.276764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.276764 (E_RNA) where: Base-Base interactions energy: -1435.382 where: short stacking energy: -610.274 Base-Backbone interact. energy: -7.223 local terms energy: -664.671595 where: bonds (distance) C4'-P energy: -133.155 bonds (distance) P-C4' energy: -129.691 flat angles C4'-P-C4' energy: -147.609 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -173.164 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: 5, replica: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1859.290321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.290321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.290321 (E_RNA) where: Base-Base interactions energy: -1246.212 where: short stacking energy: -538.336 Base-Backbone interact. energy: -1.838 local terms energy: -611.240107 where: bonds (distance) C4'-P energy: -122.675 bonds (distance) P-C4' energy: -110.774 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -146.105 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: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1850.234638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.234638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.234638 (E_RNA) where: Base-Base interactions energy: -1290.165 where: short stacking energy: -536.397 Base-Backbone interact. energy: 0.417 local terms energy: -560.486100 where: bonds (distance) C4'-P energy: -103.442 bonds (distance) P-C4' energy: -107.569 flat angles C4'-P-C4' energy: -128.009 flat angles P-C4'-P energy: -73.792 tors. eta vs tors. theta energy: -147.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1671.343930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.343930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.343930 (E_RNA) where: Base-Base interactions energy: -1111.235 where: short stacking energy: -484.658 Base-Backbone interact. energy: 0.990 local terms energy: -561.099000 where: bonds (distance) C4'-P energy: -95.574 bonds (distance) P-C4' energy: -130.673 flat angles C4'-P-C4' energy: -128.326 flat angles P-C4'-P energy: -88.490 tors. eta vs tors. theta energy: -118.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1627.715118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.715118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.715118 (E_RNA) where: Base-Base interactions energy: -1079.065 where: short stacking energy: -485.330 Base-Backbone interact. energy: -3.162 local terms energy: -545.488102 where: bonds (distance) C4'-P energy: -98.839 bonds (distance) P-C4' energy: -128.688 flat angles C4'-P-C4' energy: -124.563 flat angles P-C4'-P energy: -71.648 tors. eta vs tors. theta energy: -121.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1272.963519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.963519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.963519 (E_RNA) where: Base-Base interactions energy: -800.872 where: short stacking energy: -378.546 Base-Backbone interact. energy: 0.035 local terms energy: -472.126387 where: bonds (distance) C4'-P energy: -113.372 bonds (distance) P-C4' energy: -112.393 flat angles C4'-P-C4' energy: -117.057 flat angles P-C4'-P energy: -64.805 tors. eta vs tors. theta energy: -64.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -828.432695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.432695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.432695 (E_RNA) where: Base-Base interactions energy: -441.584 where: short stacking energy: -233.354 Base-Backbone interact. energy: -0.594 local terms energy: -386.255134 where: bonds (distance) C4'-P energy: -89.892 bonds (distance) P-C4' energy: -131.158 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -43.720 tors. eta vs tors. theta energy: -17.274 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: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2388.656110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.656110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.656110 (E_RNA) where: Base-Base interactions energy: -1707.923 where: short stacking energy: -691.840 Base-Backbone interact. energy: -2.175 local terms energy: -678.558330 where: bonds (distance) C4'-P energy: -123.476 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -148.130 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -173.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2329.014559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.014559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.014559 (E_RNA) where: Base-Base interactions energy: -1634.527 where: short stacking energy: -693.585 Base-Backbone interact. energy: 1.692 local terms energy: -696.179867 where: bonds (distance) C4'-P energy: -128.084 bonds (distance) P-C4' energy: -124.055 flat angles C4'-P-C4' energy: -147.557 flat angles P-C4'-P energy: -97.754 tors. eta vs tors. theta energy: -198.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2253.627340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.627340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.627340 (E_RNA) where: Base-Base interactions energy: -1559.648 where: short stacking energy: -680.087 Base-Backbone interact. energy: 1.035 local terms energy: -695.013994 where: bonds (distance) C4'-P energy: -114.113 bonds (distance) P-C4' energy: -135.400 flat angles C4'-P-C4' energy: -149.706 flat angles P-C4'-P energy: -101.405 tors. eta vs tors. theta energy: -194.390 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: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2104.893665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.893665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.893665 (E_RNA) where: Base-Base interactions energy: -1458.006 where: short stacking energy: -638.923 Base-Backbone interact. energy: 0.829 local terms energy: -647.716888 where: bonds (distance) C4'-P energy: -109.188 bonds (distance) P-C4' energy: -109.418 flat angles C4'-P-C4' energy: -158.505 flat angles P-C4'-P energy: -95.003 tors. eta vs tors. theta energy: -175.604 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: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1971.686999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.686999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.686999 (E_RNA) where: Base-Base interactions energy: -1381.058 where: short stacking energy: -587.278 Base-Backbone interact. energy: -1.645 local terms energy: -588.984280 where: bonds (distance) C4'-P energy: -96.839 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -128.596 flat angles P-C4'-P energy: -86.508 tors. eta vs tors. theta energy: -152.037 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: 6, replica: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1741.929341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.929341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.929341 (E_RNA) where: Base-Base interactions energy: -1184.724 where: short stacking energy: -518.362 Base-Backbone interact. energy: -0.840 local terms energy: -556.364762 where: bonds (distance) C4'-P energy: -110.157 bonds (distance) P-C4' energy: -127.004 flat angles C4'-P-C4' energy: -109.575 flat angles P-C4'-P energy: -75.244 tors. eta vs tors. theta energy: -134.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1690.674220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.674220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.674220 (E_RNA) where: Base-Base interactions energy: -1131.778 where: short stacking energy: -490.714 Base-Backbone interact. energy: 1.464 local terms energy: -560.359762 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -115.405 flat angles C4'-P-C4' energy: -126.508 flat angles P-C4'-P energy: -74.328 tors. eta vs tors. theta energy: -123.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1530.764631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.764631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.764631 (E_RNA) where: Base-Base interactions energy: -1023.223 where: short stacking energy: -443.328 Base-Backbone interact. energy: -0.029 local terms energy: -507.512663 where: bonds (distance) C4'-P energy: -105.272 bonds (distance) P-C4' energy: -99.258 flat angles C4'-P-C4' energy: -131.730 flat angles P-C4'-P energy: -68.619 tors. eta vs tors. theta energy: -102.634 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1143.899552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.899552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.899552 (E_RNA) where: Base-Base interactions energy: -726.562 where: short stacking energy: -337.895 Base-Backbone interact. energy: 0.324 local terms energy: -417.661653 where: bonds (distance) C4'-P energy: -99.999 bonds (distance) P-C4' energy: -112.072 flat angles C4'-P-C4' energy: -106.806 flat angles P-C4'-P energy: -67.222 tors. eta vs tors. theta energy: -31.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -892.748078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.748078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.748078 (E_RNA) where: Base-Base interactions energy: -499.382 where: short stacking energy: -257.728 Base-Backbone interact. energy: 1.660 local terms energy: -395.026039 where: bonds (distance) C4'-P energy: -110.118 bonds (distance) P-C4' energy: -127.070 flat angles C4'-P-C4' energy: -98.258 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -13.142 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2396.096577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.096577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.096577 (E_RNA) where: Base-Base interactions energy: -1681.358 where: short stacking energy: -705.305 Base-Backbone interact. energy: -2.240 local terms energy: -712.499054 where: bonds (distance) C4'-P energy: -131.030 bonds (distance) P-C4' energy: -135.112 flat angles C4'-P-C4' energy: -155.064 flat angles P-C4'-P energy: -103.972 tors. eta vs tors. theta energy: -187.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2317.050286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.050286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.050286 (E_RNA) where: Base-Base interactions energy: -1613.432 where: short stacking energy: -689.047 Base-Backbone interact. energy: -3.647 local terms energy: -699.971352 where: bonds (distance) C4'-P energy: -118.751 bonds (distance) P-C4' energy: -137.717 flat angles C4'-P-C4' energy: -151.313 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -201.996 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: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2243.762202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.762202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.762202 (E_RNA) where: Base-Base interactions energy: -1572.466 where: short stacking energy: -668.500 Base-Backbone interact. energy: -1.554 local terms energy: -669.741527 where: bonds (distance) C4'-P energy: -127.913 bonds (distance) P-C4' energy: -116.361 flat angles C4'-P-C4' energy: -149.853 flat angles P-C4'-P energy: -89.139 tors. eta vs tors. theta energy: -186.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2066.609113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.609113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.609113 (E_RNA) where: Base-Base interactions energy: -1393.757 where: short stacking energy: -611.527 Base-Backbone interact. energy: -0.387 local terms energy: -672.465114 where: bonds (distance) C4'-P energy: -124.037 bonds (distance) P-C4' energy: -133.321 flat angles C4'-P-C4' energy: -146.942 flat angles P-C4'-P energy: -90.592 tors. eta vs tors. theta energy: -177.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2019.794585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.794585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.794585 (E_RNA) where: Base-Base interactions energy: -1410.776 where: short stacking energy: -587.934 Base-Backbone interact. energy: -3.235 local terms energy: -605.783691 where: bonds (distance) C4'-P energy: -119.392 bonds (distance) P-C4' energy: -111.140 flat angles C4'-P-C4' energy: -140.292 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -152.177 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: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1707.185574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.185574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.185574 (E_RNA) where: Base-Base interactions energy: -1175.720 where: short stacking energy: -501.763 Base-Backbone interact. energy: 0.224 local terms energy: -531.690052 where: bonds (distance) C4'-P energy: -106.961 bonds (distance) P-C4' energy: -122.655 flat angles C4'-P-C4' energy: -123.298 flat angles P-C4'-P energy: -55.157 tors. eta vs tors. theta energy: -123.618 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: 261 Temperature: 1.200000 Total energy: -1684.849300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.849300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.849300 (E_RNA) where: Base-Base interactions energy: -1167.815 where: short stacking energy: -512.251 Base-Backbone interact. energy: -1.314 local terms energy: -515.720722 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -103.203 flat angles C4'-P-C4' energy: -118.797 flat angles P-C4'-P energy: -59.248 tors. eta vs tors. theta energy: -126.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1568.686363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.686363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.686363 (E_RNA) where: Base-Base interactions energy: -1075.472 where: short stacking energy: -450.144 Base-Backbone interact. energy: 2.337 local terms energy: -495.550786 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -103.821 flat angles C4'-P-C4' energy: -103.880 flat angles P-C4'-P energy: -60.405 tors. eta vs tors. theta energy: -105.755 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: 7 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1159.694772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.694772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.694772 (E_RNA) where: Base-Base interactions energy: -745.725 where: short stacking energy: -339.121 Base-Backbone interact. energy: 3.460 local terms energy: -417.429226 where: bonds (distance) C4'-P energy: -96.361 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -63.711 tors. eta vs tors. theta energy: -49.822 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: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -905.450984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.450984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.450984 (E_RNA) where: Base-Base interactions energy: -527.965 where: short stacking energy: -269.976 Base-Backbone interact. energy: 2.571 local terms energy: -380.057898 where: bonds (distance) C4'-P energy: -110.374 bonds (distance) P-C4' energy: -98.597 flat angles C4'-P-C4' energy: -88.338 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -21.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2425.336886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.336886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.336886 (E_RNA) where: Base-Base interactions energy: -1712.504 where: short stacking energy: -709.553 Base-Backbone interact. energy: -2.383 local terms energy: -710.449607 where: bonds (distance) C4'-P energy: -129.456 bonds (distance) P-C4' energy: -143.741 flat angles C4'-P-C4' energy: -150.644 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -182.263 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: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2338.327102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.327102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.327102 (E_RNA) where: Base-Base interactions energy: -1642.567 where: short stacking energy: -705.479 Base-Backbone interact. energy: -4.055 local terms energy: -691.704997 where: bonds (distance) C4'-P energy: -120.349 bonds (distance) P-C4' energy: -123.387 flat angles C4'-P-C4' energy: -143.062 flat angles P-C4'-P energy: -101.255 tors. eta vs tors. theta energy: -203.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2220.983413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.983413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.983413 (E_RNA) where: Base-Base interactions energy: -1562.996 where: short stacking energy: -660.014 Base-Backbone interact. energy: -2.207 local terms energy: -655.780930 where: bonds (distance) C4'-P energy: -123.315 bonds (distance) P-C4' energy: -132.272 flat angles C4'-P-C4' energy: -127.015 flat angles P-C4'-P energy: -81.809 tors. eta vs tors. theta energy: -191.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2058.322457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.322457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.322457 (E_RNA) where: Base-Base interactions energy: -1410.348 where: short stacking energy: -600.493 Base-Backbone interact. energy: -4.874 local terms energy: -643.100482 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -117.926 flat angles C4'-P-C4' energy: -133.995 flat angles P-C4'-P energy: -93.836 tors. eta vs tors. theta energy: -180.700 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: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1997.269208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.269208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.269208 (E_RNA) where: Base-Base interactions energy: -1380.982 where: short stacking energy: -606.155 Base-Backbone interact. energy: -5.283 local terms energy: -611.003576 where: bonds (distance) C4'-P energy: -105.590 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -130.338 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -168.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1742.516830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.516830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.516830 (E_RNA) where: Base-Base interactions energy: -1208.655 where: short stacking energy: -515.108 Base-Backbone interact. energy: -1.317 local terms energy: -532.544228 where: bonds (distance) C4'-P energy: -100.348 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -125.218 flat angles P-C4'-P energy: -63.870 tors. eta vs tors. theta energy: -131.861 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: 262 Temperature: 1.200000 Total energy: -1663.263182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.263182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.263182 (E_RNA) where: Base-Base interactions energy: -1131.289 where: short stacking energy: -506.258 Base-Backbone interact. energy: -0.059 local terms energy: -531.915288 where: bonds (distance) C4'-P energy: -107.258 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -131.149 flat angles P-C4'-P energy: -72.799 tors. eta vs tors. theta energy: -120.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1564.234348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.234348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.234348 (E_RNA) where: Base-Base interactions energy: -1065.790 where: short stacking energy: -475.197 Base-Backbone interact. energy: 1.928 local terms energy: -500.372986 where: bonds (distance) C4'-P energy: -92.918 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -111.695 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -108.923 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: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1294.820730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.820730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.820730 (E_RNA) where: Base-Base interactions energy: -829.990 where: short stacking energy: -379.627 Base-Backbone interact. energy: -2.551 local terms energy: -462.279868 where: bonds (distance) C4'-P energy: -92.476 bonds (distance) P-C4' energy: -110.079 flat angles C4'-P-C4' energy: -121.739 flat angles P-C4'-P energy: -53.047 tors. eta vs tors. theta energy: -84.939 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: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -817.036861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.036861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.036861 (E_RNA) where: Base-Base interactions energy: -442.963 where: short stacking energy: -227.108 Base-Backbone interact. energy: 0.692 local terms energy: -374.765551 where: bonds (distance) C4'-P energy: -110.333 bonds (distance) P-C4' energy: -109.070 flat angles C4'-P-C4' energy: -90.505 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: -13.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2422.428396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.428396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.428396 (E_RNA) where: Base-Base interactions energy: -1707.584 where: short stacking energy: -696.111 Base-Backbone interact. energy: -2.315 local terms energy: -712.529425 where: bonds (distance) C4'-P energy: -128.012 bonds (distance) P-C4' energy: -139.268 flat angles C4'-P-C4' energy: -150.176 flat angles P-C4'-P energy: -113.539 tors. eta vs tors. theta energy: -181.534 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: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2340.312141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.312141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.312141 (E_RNA) where: Base-Base interactions energy: -1635.884 where: short stacking energy: -682.722 Base-Backbone interact. energy: -3.810 local terms energy: -700.618752 where: bonds (distance) C4'-P energy: -135.605 bonds (distance) P-C4' energy: -136.626 flat angles C4'-P-C4' energy: -140.987 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -185.290 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: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2195.003023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.003023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.003023 (E_RNA) where: Base-Base interactions energy: -1526.478 where: short stacking energy: -650.338 Base-Backbone interact. energy: -4.058 local terms energy: -664.467830 where: bonds (distance) C4'-P energy: -127.167 bonds (distance) P-C4' energy: -124.672 flat angles C4'-P-C4' energy: -144.623 flat angles P-C4'-P energy: -80.064 tors. eta vs tors. theta energy: -187.941 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: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2059.414721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.414721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.414721 (E_RNA) where: Base-Base interactions energy: -1432.971 where: short stacking energy: -618.642 Base-Backbone interact. energy: 0.015 local terms energy: -626.459522 where: bonds (distance) C4'-P energy: -111.989 bonds (distance) P-C4' energy: -106.827 flat angles C4'-P-C4' energy: -131.487 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -175.371 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: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1989.356286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.356286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.356286 (E_RNA) where: Base-Base interactions energy: -1388.507 where: short stacking energy: -568.497 Base-Backbone interact. energy: -4.427 local terms energy: -596.421707 where: bonds (distance) C4'-P energy: -118.352 bonds (distance) P-C4' energy: -104.351 flat angles C4'-P-C4' energy: -122.683 flat angles P-C4'-P energy: -84.810 tors. eta vs tors. theta energy: -166.225 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: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1804.803067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.803067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.803067 (E_RNA) where: Base-Base interactions energy: -1235.611 where: short stacking energy: -522.149 Base-Backbone interact. energy: -0.534 local terms energy: -568.658222 where: bonds (distance) C4'-P energy: -111.851 bonds (distance) P-C4' energy: -120.538 flat angles C4'-P-C4' energy: -131.772 flat angles P-C4'-P energy: -83.440 tors. eta vs tors. theta energy: -121.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1680.314155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.314155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.314155 (E_RNA) where: Base-Base interactions energy: -1155.553 where: short stacking energy: -496.828 Base-Backbone interact. energy: -3.179 local terms energy: -521.581932 where: bonds (distance) C4'-P energy: -92.293 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -121.681 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -129.600 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: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1298.398978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.398978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.398978 (E_RNA) where: Base-Base interactions energy: -849.639 where: short stacking energy: -360.457 Base-Backbone interact. energy: 0.183 local terms energy: -448.943811 where: bonds (distance) C4'-P energy: -111.985 bonds (distance) P-C4' energy: -112.256 flat angles C4'-P-C4' energy: -88.357 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -63.645 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: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1505.468056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.468056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.468056 (E_RNA) where: Base-Base interactions energy: -1038.508 where: short stacking energy: -461.276 Base-Backbone interact. energy: 0.765 local terms energy: -467.725262 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -95.003 flat angles C4'-P-C4' energy: -98.246 flat angles P-C4'-P energy: -57.343 tors. eta vs tors. theta energy: -105.619 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: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -779.660849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.660849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.660849 (E_RNA) where: Base-Base interactions energy: -401.954 where: short stacking energy: -220.106 Base-Backbone interact. energy: -2.485 local terms energy: -375.222168 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -6.938 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: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2383.418832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.418832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.418832 (E_RNA) where: Base-Base interactions energy: -1677.546 where: short stacking energy: -659.889 Base-Backbone interact. energy: -4.169 local terms energy: -701.703567 where: bonds (distance) C4'-P energy: -136.687 bonds (distance) P-C4' energy: -139.620 flat angles C4'-P-C4' energy: -153.518 flat angles P-C4'-P energy: -103.713 tors. eta vs tors. theta energy: -168.166 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: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2332.750469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.750469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.750469 (E_RNA) where: Base-Base interactions energy: -1638.404 where: short stacking energy: -707.041 Base-Backbone interact. energy: 2.949 local terms energy: -697.295563 where: bonds (distance) C4'-P energy: -130.214 bonds (distance) P-C4' energy: -121.376 flat angles C4'-P-C4' energy: -148.392 flat angles P-C4'-P energy: -99.387 tors. eta vs tors. theta energy: -197.926 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2279.861005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.861005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.861005 (E_RNA) where: Base-Base interactions energy: -1611.178 where: short stacking energy: -677.755 Base-Backbone interact. energy: -4.705 local terms energy: -663.978635 where: bonds (distance) C4'-P energy: -132.548 bonds (distance) P-C4' energy: -116.169 flat angles C4'-P-C4' energy: -140.224 flat angles P-C4'-P energy: -87.331 tors. eta vs tors. theta energy: -187.707 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: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2055.013020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.013020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.013020 (E_RNA) where: Base-Base interactions energy: -1398.818 where: short stacking energy: -594.856 Base-Backbone interact. energy: -3.170 local terms energy: -653.025769 where: bonds (distance) C4'-P energy: -120.473 bonds (distance) P-C4' energy: -122.860 flat angles C4'-P-C4' energy: -140.875 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -175.815 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: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2002.720046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.720046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.720046 (E_RNA) where: Base-Base interactions energy: -1390.028 where: short stacking energy: -600.034 Base-Backbone interact. energy: -4.364 local terms energy: -608.327889 where: bonds (distance) C4'-P energy: -100.481 bonds (distance) P-C4' energy: -118.426 flat angles C4'-P-C4' energy: -147.958 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -159.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1770.601897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.601897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.601897 (E_RNA) where: Base-Base interactions energy: -1220.076 where: short stacking energy: -525.493 Base-Backbone interact. energy: 0.274 local terms energy: -550.799842 where: bonds (distance) C4'-P energy: -104.715 bonds (distance) P-C4' energy: -119.665 flat angles C4'-P-C4' energy: -125.526 flat angles P-C4'-P energy: -89.580 tors. eta vs tors. theta energy: -111.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1637.395571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.395571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.395571 (E_RNA) where: Base-Base interactions energy: -1108.977 where: short stacking energy: -497.536 Base-Backbone interact. energy: 4.153 local terms energy: -532.571435 where: bonds (distance) C4'-P energy: -104.021 bonds (distance) P-C4' energy: -107.880 flat angles C4'-P-C4' energy: -128.368 flat angles P-C4'-P energy: -65.320 tors. eta vs tors. theta energy: -126.981 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: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1313.668321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.668321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.668321 (E_RNA) where: Base-Base interactions energy: -848.329 where: short stacking energy: -377.345 Base-Backbone interact. energy: -0.439 local terms energy: -464.900098 where: bonds (distance) C4'-P energy: -101.917 bonds (distance) P-C4' energy: -122.797 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -53.526 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: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1337.288916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.288916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.288916 (E_RNA) where: Base-Base interactions energy: -880.255 where: short stacking energy: -393.692 Base-Backbone interact. energy: -1.045 local terms energy: -455.988685 where: bonds (distance) C4'-P energy: -95.114 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -104.515 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -81.442 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: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -709.721734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.721734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.721734 (E_RNA) where: Base-Base interactions energy: -367.009 where: short stacking energy: -208.038 Base-Backbone interact. energy: 0.875 local terms energy: -343.588207 where: bonds (distance) C4'-P energy: -101.538 bonds (distance) P-C4' energy: -114.522 flat angles C4'-P-C4' energy: -81.155 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: 12.090 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: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2384.800786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.800786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.800786 (E_RNA) where: Base-Base interactions energy: -1695.533 where: short stacking energy: -684.298 Base-Backbone interact. energy: -0.067 local terms energy: -689.201336 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -130.728 flat angles C4'-P-C4' energy: -151.447 flat angles P-C4'-P energy: -105.992 tors. eta vs tors. theta energy: -176.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2349.400387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.400387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.400387 (E_RNA) where: Base-Base interactions energy: -1653.108 where: short stacking energy: -691.226 Base-Backbone interact. energy: -3.321 local terms energy: -692.970863 where: bonds (distance) C4'-P energy: -122.292 bonds (distance) P-C4' energy: -126.400 flat angles C4'-P-C4' energy: -148.262 flat angles P-C4'-P energy: -96.358 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: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2238.241979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.241979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.241979 (E_RNA) where: Base-Base interactions energy: -1570.935 where: short stacking energy: -671.522 Base-Backbone interact. energy: -2.432 local terms energy: -664.874906 where: bonds (distance) C4'-P energy: -111.417 bonds (distance) P-C4' energy: -116.869 flat angles C4'-P-C4' energy: -151.899 flat angles P-C4'-P energy: -96.965 tors. eta vs tors. theta energy: -187.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2138.073018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.073018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.073018 (E_RNA) where: Base-Base interactions energy: -1477.182 where: short stacking energy: -627.051 Base-Backbone interact. energy: -3.001 local terms energy: -657.889924 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -124.369 flat angles C4'-P-C4' energy: -142.468 flat angles P-C4'-P energy: -80.454 tors. eta vs tors. theta energy: -178.557 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: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2022.496740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.496740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.496740 (E_RNA) where: Base-Base interactions energy: -1416.037 where: short stacking energy: -585.175 Base-Backbone interact. energy: -2.365 local terms energy: -604.094363 where: bonds (distance) C4'-P energy: -113.439 bonds (distance) P-C4' energy: -123.015 flat angles C4'-P-C4' energy: -131.680 flat angles P-C4'-P energy: -80.057 tors. eta vs tors. theta energy: -155.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1718.852938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.852938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.852938 (E_RNA) where: Base-Base interactions energy: -1180.613 where: short stacking energy: -480.711 Base-Backbone interact. energy: -0.156 local terms energy: -538.084062 where: bonds (distance) C4'-P energy: -97.905 bonds (distance) P-C4' energy: -120.152 flat angles C4'-P-C4' energy: -135.661 flat angles P-C4'-P energy: -73.096 tors. eta vs tors. theta energy: -111.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1644.290727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.290727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.290727 (E_RNA) where: Base-Base interactions energy: -1106.212 where: short stacking energy: -505.257 Base-Backbone interact. energy: -0.656 local terms energy: -537.423288 where: bonds (distance) C4'-P energy: -136.250 bonds (distance) P-C4' energy: -88.460 flat angles C4'-P-C4' energy: -118.407 flat angles P-C4'-P energy: -71.583 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: 8, replica: 10 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1391.191578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.191578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.191578 (E_RNA) where: Base-Base interactions energy: -948.458 where: short stacking energy: -406.879 Base-Backbone interact. energy: -0.477 local terms energy: -442.256533 where: bonds (distance) C4'-P energy: -92.263 bonds (distance) P-C4' energy: -119.648 flat angles C4'-P-C4' energy: -100.073 flat angles P-C4'-P energy: -62.468 tors. eta vs tors. theta energy: -67.805 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: 7 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1202.277037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.277037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.277037 (E_RNA) where: Base-Base interactions energy: -778.332 where: short stacking energy: -350.571 Base-Backbone interact. energy: 0.687 local terms energy: -424.632144 where: bonds (distance) C4'-P energy: -100.781 bonds (distance) P-C4' energy: -103.665 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -62.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -695.618883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.618883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.618883 (E_RNA) where: Base-Base interactions energy: -368.027 where: short stacking energy: -187.706 Base-Backbone interact. energy: 5.768 local terms energy: -333.360609 where: bonds (distance) C4'-P energy: -88.726 bonds (distance) P-C4' energy: -109.875 flat angles C4'-P-C4' energy: -98.365 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: 12.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2394.496119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.496119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.496119 (E_RNA) where: Base-Base interactions energy: -1686.825 where: short stacking energy: -688.978 Base-Backbone interact. energy: -0.113 local terms energy: -707.558147 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -131.947 flat angles C4'-P-C4' energy: -153.380 flat angles P-C4'-P energy: -107.633 tors. eta vs tors. theta energy: -181.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2327.650135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.650135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.650135 (E_RNA) where: Base-Base interactions energy: -1646.783 where: short stacking energy: -687.572 Base-Backbone interact. energy: -0.516 local terms energy: -680.350547 where: bonds (distance) C4'-P energy: -125.662 bonds (distance) P-C4' energy: -121.958 flat angles C4'-P-C4' energy: -148.476 flat angles P-C4'-P energy: -96.434 tors. eta vs tors. theta energy: -187.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2239.402294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.402294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.402294 (E_RNA) where: Base-Base interactions energy: -1565.255 where: short stacking energy: -684.079 Base-Backbone interact. energy: -2.614 local terms energy: -671.532777 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -126.800 flat angles C4'-P-C4' energy: -133.041 flat angles P-C4'-P energy: -94.885 tors. eta vs tors. theta energy: -196.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2101.399436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.399436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.399436 (E_RNA) where: Base-Base interactions energy: -1476.260 where: short stacking energy: -640.535 Base-Backbone interact. energy: 0.158 local terms energy: -625.298251 where: bonds (distance) C4'-P energy: -116.884 bonds (distance) P-C4' energy: -115.658 flat angles C4'-P-C4' energy: -151.748 flat angles P-C4'-P energy: -70.051 tors. eta vs tors. theta energy: -170.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2003.911909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.911909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.911909 (E_RNA) where: Base-Base interactions energy: -1412.979 where: short stacking energy: -619.002 Base-Backbone interact. energy: -2.273 local terms energy: -588.659524 where: bonds (distance) C4'-P energy: -116.139 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -124.810 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -157.816 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: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1787.038481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.038481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.038481 (E_RNA) where: Base-Base interactions energy: -1196.994 where: short stacking energy: -530.738 Base-Backbone interact. energy: 1.340 local terms energy: -591.384630 where: bonds (distance) C4'-P energy: -123.676 bonds (distance) P-C4' energy: -125.950 flat angles C4'-P-C4' energy: -127.447 flat angles P-C4'-P energy: -78.655 tors. eta vs tors. theta energy: -135.657 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: 8 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1621.712823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.712823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.712823 (E_RNA) where: Base-Base interactions energy: -1127.592 where: short stacking energy: -502.454 Base-Backbone interact. energy: -1.702 local terms energy: -492.418468 where: bonds (distance) C4'-P energy: -97.425 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -115.068 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -115.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1445.841019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.841019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.841019 (E_RNA) where: Base-Base interactions energy: -978.947 where: short stacking energy: -421.736 Base-Backbone interact. energy: 1.252 local terms energy: -468.145076 where: bonds (distance) C4'-P energy: -100.221 bonds (distance) P-C4' energy: -111.921 flat angles C4'-P-C4' energy: -104.794 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -86.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1173.960838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.960838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.960838 (E_RNA) where: Base-Base interactions energy: -722.989 where: short stacking energy: -357.187 Base-Backbone interact. energy: -0.911 local terms energy: -450.060098 where: bonds (distance) C4'-P energy: -107.821 bonds (distance) P-C4' energy: -117.606 flat angles C4'-P-C4' energy: -107.191 flat angles P-C4'-P energy: -52.755 tors. eta vs tors. theta energy: -64.687 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: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -748.745055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.745055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.745055 (E_RNA) where: Base-Base interactions energy: -373.638 where: short stacking energy: -216.578 Base-Backbone interact. energy: -0.352 local terms energy: -374.755006 where: bonds (distance) C4'-P energy: -101.367 bonds (distance) P-C4' energy: -103.717 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -75.136 tors. eta vs tors. theta energy: 1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2383.661544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.661544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.661544 (E_RNA) where: Base-Base interactions energy: -1689.985 where: short stacking energy: -695.758 Base-Backbone interact. energy: -0.838 local terms energy: -692.838170 where: bonds (distance) C4'-P energy: -129.601 bonds (distance) P-C4' energy: -123.517 flat angles C4'-P-C4' energy: -148.070 flat angles P-C4'-P energy: -111.097 tors. eta vs tors. theta energy: -180.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2333.750951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.750951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.750951 (E_RNA) where: Base-Base interactions energy: -1640.718 where: short stacking energy: -686.467 Base-Backbone interact. energy: 0.093 local terms energy: -693.125494 where: bonds (distance) C4'-P energy: -123.033 bonds (distance) P-C4' energy: -125.159 flat angles C4'-P-C4' energy: -157.635 flat angles P-C4'-P energy: -97.176 tors. eta vs tors. theta energy: -190.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2209.648713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.648713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.648713 (E_RNA) where: Base-Base interactions energy: -1550.651 where: short stacking energy: -639.349 Base-Backbone interact. energy: 5.002 local terms energy: -663.999615 where: bonds (distance) C4'-P energy: -110.629 bonds (distance) P-C4' energy: -129.891 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -87.479 tors. eta vs tors. theta energy: -186.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2120.388810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.388810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.388810 (E_RNA) where: Base-Base interactions energy: -1493.364 where: short stacking energy: -635.058 Base-Backbone interact. energy: -2.633 local terms energy: -624.391874 where: bonds (distance) C4'-P energy: -115.138 bonds (distance) P-C4' energy: -112.707 flat angles C4'-P-C4' energy: -144.128 flat angles P-C4'-P energy: -82.291 tors. eta vs tors. theta energy: -170.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1959.285203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.285203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.285203 (E_RNA) where: Base-Base interactions energy: -1393.671 where: short stacking energy: -579.230 Base-Backbone interact. energy: -1.151 local terms energy: -564.463943 where: bonds (distance) C4'-P energy: -107.667 bonds (distance) P-C4' energy: -113.063 flat angles C4'-P-C4' energy: -129.820 flat angles P-C4'-P energy: -69.998 tors. eta vs tors. theta energy: -143.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1731.395051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.395051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.395051 (E_RNA) where: Base-Base interactions energy: -1186.623 where: short stacking energy: -526.626 Base-Backbone interact. energy: 2.633 local terms energy: -547.405135 where: bonds (distance) C4'-P energy: -101.869 bonds (distance) P-C4' energy: -125.357 flat angles C4'-P-C4' energy: -123.624 flat angles P-C4'-P energy: -76.205 tors. eta vs tors. theta energy: -120.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1636.630324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.630324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.630324 (E_RNA) where: Base-Base interactions energy: -1109.630 where: short stacking energy: -468.672 Base-Backbone interact. energy: 1.553 local terms energy: -528.552779 where: bonds (distance) C4'-P energy: -104.181 bonds (distance) P-C4' energy: -111.691 flat angles C4'-P-C4' energy: -138.626 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -100.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1452.697451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.697451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.697451 (E_RNA) where: Base-Base interactions energy: -956.351 where: short stacking energy: -411.296 Base-Backbone interact. energy: 0.957 local terms energy: -497.302848 where: bonds (distance) C4'-P energy: -110.691 bonds (distance) P-C4' energy: -122.414 flat angles C4'-P-C4' energy: -109.072 flat angles P-C4'-P energy: -78.984 tors. eta vs tors. theta energy: -76.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1184.932267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.932267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.932267 (E_RNA) where: Base-Base interactions energy: -774.957 where: short stacking energy: -396.079 Base-Backbone interact. energy: 0.100 local terms energy: -410.075090 where: bonds (distance) C4'-P energy: -79.908 bonds (distance) P-C4' energy: -120.486 flat angles C4'-P-C4' energy: -94.137 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -63.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -742.510852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.510852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.510852 (E_RNA) where: Base-Base interactions energy: -395.176 where: short stacking energy: -217.152 Base-Backbone interact. energy: 0.240 local terms energy: -347.574784 where: bonds (distance) C4'-P energy: -84.216 bonds (distance) P-C4' energy: -105.472 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -52.149 tors. eta vs tors. theta energy: -17.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2407.258364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.258364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.258364 (E_RNA) where: Base-Base interactions energy: -1702.137 where: short stacking energy: -710.990 Base-Backbone interact. energy: 0.790 local terms energy: -705.911045 where: bonds (distance) C4'-P energy: -137.101 bonds (distance) P-C4' energy: -131.254 flat angles C4'-P-C4' energy: -149.931 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -190.701 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: 268 Temperature: 0.950000 Total energy: -2367.576153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.576153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.576153 (E_RNA) where: Base-Base interactions energy: -1668.372 where: short stacking energy: -684.934 Base-Backbone interact. energy: -0.833 local terms energy: -698.371160 where: bonds (distance) C4'-P energy: -138.014 bonds (distance) P-C4' energy: -116.841 flat angles C4'-P-C4' energy: -149.699 flat angles P-C4'-P energy: -95.300 tors. eta vs tors. theta energy: -198.517 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: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2193.905833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.905833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.905833 (E_RNA) where: Base-Base interactions energy: -1535.197 where: short stacking energy: -625.328 Base-Backbone interact. energy: -2.635 local terms energy: -656.074115 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -134.674 flat angles C4'-P-C4' energy: -144.090 flat angles P-C4'-P energy: -87.222 tors. eta vs tors. theta energy: -170.943 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: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2123.313965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.313965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.313965 (E_RNA) where: Base-Base interactions energy: -1483.406 where: short stacking energy: -631.860 Base-Backbone interact. energy: -3.776 local terms energy: -636.132041 where: bonds (distance) C4'-P energy: -109.241 bonds (distance) P-C4' energy: -133.629 flat angles C4'-P-C4' energy: -138.745 flat angles P-C4'-P energy: -99.010 tors. eta vs tors. theta energy: -155.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1917.416022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.416022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.416022 (E_RNA) where: Base-Base interactions energy: -1318.174 where: short stacking energy: -565.473 Base-Backbone interact. energy: -3.906 local terms energy: -595.336008 where: bonds (distance) C4'-P energy: -115.861 bonds (distance) P-C4' energy: -126.478 flat angles C4'-P-C4' energy: -131.048 flat angles P-C4'-P energy: -76.781 tors. eta vs tors. theta energy: -145.168 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: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1744.830872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.830872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.830872 (E_RNA) where: Base-Base interactions energy: -1203.039 where: short stacking energy: -523.899 Base-Backbone interact. energy: -4.872 local terms energy: -536.919177 where: bonds (distance) C4'-P energy: -105.112 bonds (distance) P-C4' energy: -113.891 flat angles C4'-P-C4' energy: -120.552 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -127.480 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: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1650.678763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.678763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.678763 (E_RNA) where: Base-Base interactions energy: -1106.174 where: short stacking energy: -495.298 Base-Backbone interact. energy: -2.531 local terms energy: -541.974280 where: bonds (distance) C4'-P energy: -97.857 bonds (distance) P-C4' energy: -118.464 flat angles C4'-P-C4' energy: -113.665 flat angles P-C4'-P energy: -73.709 tors. eta vs tors. theta energy: -138.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1411.235796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.235796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.235796 (E_RNA) where: Base-Base interactions energy: -930.539 where: short stacking energy: -428.914 Base-Backbone interact. energy: 5.326 local terms energy: -486.022146 where: bonds (distance) C4'-P energy: -108.921 bonds (distance) P-C4' energy: -101.613 flat angles C4'-P-C4' energy: -134.541 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: -80.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1154.551939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.551939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.551939 (E_RNA) where: Base-Base interactions energy: -725.400 where: short stacking energy: -367.793 Base-Backbone interact. energy: -1.033 local terms energy: -428.119484 where: bonds (distance) C4'-P energy: -84.892 bonds (distance) P-C4' energy: -106.068 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -65.663 tors. eta vs tors. theta energy: -59.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -689.336891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.336891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.336891 (E_RNA) where: Base-Base interactions energy: -350.831 where: short stacking energy: -206.031 Base-Backbone interact. energy: 6.380 local terms energy: -344.885658 where: bonds (distance) C4'-P energy: -88.729 bonds (distance) P-C4' energy: -110.213 flat angles C4'-P-C4' energy: -90.268 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: 6.605 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: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2447.790131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.790131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.790131 (E_RNA) where: Base-Base interactions energy: -1746.526 where: short stacking energy: -728.378 Base-Backbone interact. energy: -3.537 local terms energy: -697.726902 where: bonds (distance) C4'-P energy: -123.801 bonds (distance) P-C4' energy: -121.281 flat angles C4'-P-C4' energy: -150.598 flat angles P-C4'-P energy: -111.746 tors. eta vs tors. theta energy: -190.301 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: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2326.795809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.795809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.795809 (E_RNA) where: Base-Base interactions energy: -1648.123 where: short stacking energy: -695.101 Base-Backbone interact. energy: -3.063 local terms energy: -675.610020 where: bonds (distance) C4'-P energy: -124.954 bonds (distance) P-C4' energy: -129.155 flat angles C4'-P-C4' energy: -136.344 flat angles P-C4'-P energy: -93.180 tors. eta vs tors. theta energy: -191.978 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: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2196.908866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.908866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.908866 (E_RNA) where: Base-Base interactions energy: -1524.820 where: short stacking energy: -644.071 Base-Backbone interact. energy: -2.141 local terms energy: -669.948205 where: bonds (distance) C4'-P energy: -118.293 bonds (distance) P-C4' energy: -138.627 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -181.505 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: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2098.533692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.533692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.533692 (E_RNA) where: Base-Base interactions energy: -1445.999 where: short stacking energy: -613.264 Base-Backbone interact. energy: -2.839 local terms energy: -649.696017 where: bonds (distance) C4'-P energy: -113.666 bonds (distance) P-C4' energy: -137.324 flat angles C4'-P-C4' energy: -131.166 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -174.945 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: 5, replica: 1 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1927.218872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.218872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.218872 (E_RNA) where: Base-Base interactions energy: -1333.904 where: short stacking energy: -591.819 Base-Backbone interact. energy: -2.535 local terms energy: -590.779941 where: bonds (distance) C4'-P energy: -111.458 bonds (distance) P-C4' energy: -116.260 flat angles C4'-P-C4' energy: -119.621 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -143.031 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: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1714.600490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.600490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.600490 (E_RNA) where: Base-Base interactions energy: -1156.157 where: short stacking energy: -499.897 Base-Backbone interact. energy: -2.532 local terms energy: -555.910800 where: bonds (distance) C4'-P energy: -121.328 bonds (distance) P-C4' energy: -100.950 flat angles C4'-P-C4' energy: -140.008 flat angles P-C4'-P energy: -79.448 tors. eta vs tors. theta energy: -114.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1672.577069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.577069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.577069 (E_RNA) where: Base-Base interactions energy: -1109.423 where: short stacking energy: -488.612 Base-Backbone interact. energy: 0.586 local terms energy: -563.740343 where: bonds (distance) C4'-P energy: -93.126 bonds (distance) P-C4' energy: -137.101 flat angles C4'-P-C4' energy: -121.631 flat angles P-C4'-P energy: -81.956 tors. eta vs tors. theta energy: -129.925 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: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1447.151196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.151196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.151196 (E_RNA) where: Base-Base interactions energy: -962.051 where: short stacking energy: -423.832 Base-Backbone interact. energy: 0.276 local terms energy: -485.375772 where: bonds (distance) C4'-P energy: -111.060 bonds (distance) P-C4' energy: -104.314 flat angles C4'-P-C4' energy: -90.071 flat angles P-C4'-P energy: -83.387 tors. eta vs tors. theta energy: -96.544 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: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1126.361639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.361639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.361639 (E_RNA) where: Base-Base interactions energy: -686.396 where: short stacking energy: -317.705 Base-Backbone interact. energy: 1.357 local terms energy: -441.322750 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -96.433 flat angles C4'-P-C4' energy: -123.635 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: -39.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -778.205809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.205809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.205809 (E_RNA) where: Base-Base interactions energy: -443.313 where: short stacking energy: -246.889 Base-Backbone interact. energy: -2.025 local terms energy: -332.867541 where: bonds (distance) C4'-P energy: -88.808 bonds (distance) P-C4' energy: -110.713 flat angles C4'-P-C4' energy: -89.696 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -0.236 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: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2419.037492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.037492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.037492 (E_RNA) where: Base-Base interactions energy: -1734.404 where: short stacking energy: -693.314 Base-Backbone interact. energy: -0.116 local terms energy: -684.517459 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -124.915 flat angles C4'-P-C4' energy: -159.304 flat angles P-C4'-P energy: -92.069 tors. eta vs tors. theta energy: -182.748 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: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2340.352339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.352339 (E_RNA) where: Base-Base interactions energy: -1647.479 where: short stacking energy: -700.362 Base-Backbone interact. energy: 0.568 local terms energy: -693.441151 where: bonds (distance) C4'-P energy: -122.599 bonds (distance) P-C4' energy: -113.811 flat angles C4'-P-C4' energy: -159.227 flat angles P-C4'-P energy: -105.980 tors. eta vs tors. theta energy: -191.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2246.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.744290 (E_RNA) where: Base-Base interactions energy: -1591.375 where: short stacking energy: -671.903 Base-Backbone interact. energy: 2.316 local terms energy: -657.685101 where: bonds (distance) C4'-P energy: -114.154 bonds (distance) P-C4' energy: -143.472 flat angles C4'-P-C4' energy: -132.828 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -178.094 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: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2085.133445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.133445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.133445 (E_RNA) where: Base-Base interactions energy: -1460.582 where: short stacking energy: -604.347 Base-Backbone interact. energy: -3.195 local terms energy: -621.356520 where: bonds (distance) C4'-P energy: -105.572 bonds (distance) P-C4' energy: -116.442 flat angles C4'-P-C4' energy: -145.323 flat angles P-C4'-P energy: -85.929 tors. eta vs tors. theta energy: -168.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1892.837434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.837434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.837434 (E_RNA) where: Base-Base interactions energy: -1298.904 where: short stacking energy: -549.157 Base-Backbone interact. energy: 4.378 local terms energy: -598.311525 where: bonds (distance) C4'-P energy: -118.517 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -144.353 flat angles P-C4'-P energy: -73.064 tors. eta vs tors. theta energy: -150.900 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: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1722.166560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.166560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.166560 (E_RNA) where: Base-Base interactions energy: -1190.754 where: short stacking energy: -504.864 Base-Backbone interact. energy: -1.976 local terms energy: -529.436987 where: bonds (distance) C4'-P energy: -105.464 bonds (distance) P-C4' energy: -115.270 flat angles C4'-P-C4' energy: -121.266 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -114.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1623.935141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.935141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.935141 (E_RNA) where: Base-Base interactions energy: -1089.861 where: short stacking energy: -464.735 Base-Backbone interact. energy: -3.612 local terms energy: -530.461692 where: bonds (distance) C4'-P energy: -108.017 bonds (distance) P-C4' energy: -117.265 flat angles C4'-P-C4' energy: -118.445 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -119.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1384.852819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.852819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.852819 (E_RNA) where: Base-Base interactions energy: -900.100 where: short stacking energy: -427.722 Base-Backbone interact. energy: -0.851 local terms energy: -483.902055 where: bonds (distance) C4'-P energy: -102.256 bonds (distance) P-C4' energy: -111.946 flat angles C4'-P-C4' energy: -122.128 flat angles P-C4'-P energy: -62.359 tors. eta vs tors. theta energy: -85.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1093.564244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.564244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.564244 (E_RNA) where: Base-Base interactions energy: -661.315 where: short stacking energy: -314.980 Base-Backbone interact. energy: 0.849 local terms energy: -433.098720 where: bonds (distance) C4'-P energy: -105.861 bonds (distance) P-C4' energy: -101.461 flat angles C4'-P-C4' energy: -112.024 flat angles P-C4'-P energy: -76.076 tors. eta vs tors. theta energy: -37.677 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: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -777.272662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.272662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.272662 (E_RNA) where: Base-Base interactions energy: -407.980 where: short stacking energy: -203.868 Base-Backbone interact. energy: -3.790 local terms energy: -365.503441 where: bonds (distance) C4'-P energy: -113.096 bonds (distance) P-C4' energy: -127.717 flat angles C4'-P-C4' energy: -85.817 flat angles P-C4'-P energy: -34.909 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2433.435975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.435975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.435975 (E_RNA) where: Base-Base interactions energy: -1712.330 where: short stacking energy: -687.178 Base-Backbone interact. energy: -2.653 local terms energy: -718.453511 where: bonds (distance) C4'-P energy: -145.142 bonds (distance) P-C4' energy: -135.055 flat angles C4'-P-C4' energy: -155.312 flat angles P-C4'-P energy: -99.154 tors. eta vs tors. theta energy: -183.791 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: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2324.510804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.510804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.510804 (E_RNA) where: Base-Base interactions energy: -1659.391 where: short stacking energy: -675.405 Base-Backbone interact. energy: -3.779 local terms energy: -661.340912 where: bonds (distance) C4'-P energy: -123.841 bonds (distance) P-C4' energy: -116.495 flat angles C4'-P-C4' energy: -137.422 flat angles P-C4'-P energy: -94.897 tors. eta vs tors. theta energy: -188.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2236.306059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.306059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.306059 (E_RNA) where: Base-Base interactions energy: -1580.669 where: short stacking energy: -650.086 Base-Backbone interact. energy: 0.777 local terms energy: -656.414250 where: bonds (distance) C4'-P energy: -119.122 bonds (distance) P-C4' energy: -122.809 flat angles C4'-P-C4' energy: -136.388 flat angles P-C4'-P energy: -89.377 tors. eta vs tors. theta energy: -188.719 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: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2061.688284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.688284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.688284 (E_RNA) where: Base-Base interactions energy: -1430.868 where: short stacking energy: -627.811 Base-Backbone interact. energy: 0.412 local terms energy: -631.232775 where: bonds (distance) C4'-P energy: -123.226 bonds (distance) P-C4' energy: -122.109 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -162.589 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: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1887.995154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.995154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.995154 (E_RNA) where: Base-Base interactions energy: -1290.526 where: short stacking energy: -560.782 Base-Backbone interact. energy: -4.180 local terms energy: -593.289216 where: bonds (distance) C4'-P energy: -122.879 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -139.261 flat angles P-C4'-P energy: -69.856 tors. eta vs tors. theta energy: -149.180 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: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1737.198560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.198560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.198560 (E_RNA) where: Base-Base interactions energy: -1145.631 where: short stacking energy: -530.143 Base-Backbone interact. energy: -1.234 local terms energy: -590.332946 where: bonds (distance) C4'-P energy: -102.388 bonds (distance) P-C4' energy: -120.421 flat angles C4'-P-C4' energy: -143.739 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: -150.110 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: 271 Temperature: 1.200000 Total energy: -1651.386136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.386136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.386136 (E_RNA) where: Base-Base interactions energy: -1129.172 where: short stacking energy: -510.713 Base-Backbone interact. energy: -2.172 local terms energy: -520.041437 where: bonds (distance) C4'-P energy: -97.105 bonds (distance) P-C4' energy: -116.602 flat angles C4'-P-C4' energy: -110.583 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -118.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1419.370254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.370254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.370254 (E_RNA) where: Base-Base interactions energy: -931.630 where: short stacking energy: -411.678 Base-Backbone interact. energy: -1.917 local terms energy: -485.823394 where: bonds (distance) C4'-P energy: -95.660 bonds (distance) P-C4' energy: -114.843 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -95.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1095.456500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.456500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.456500 (E_RNA) where: Base-Base interactions energy: -657.176 where: short stacking energy: -321.956 Base-Backbone interact. energy: -1.152 local terms energy: -437.128688 where: bonds (distance) C4'-P energy: -105.943 bonds (distance) P-C4' energy: -135.714 flat angles C4'-P-C4' energy: -82.649 flat angles P-C4'-P energy: -69.223 tors. eta vs tors. theta energy: -43.601 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: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -749.428309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.428309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.428309 (E_RNA) where: Base-Base interactions energy: -419.274 where: short stacking energy: -227.092 Base-Backbone interact. energy: 8.130 local terms energy: -338.284419 where: bonds (distance) C4'-P energy: -79.223 bonds (distance) P-C4' energy: -114.218 flat angles C4'-P-C4' energy: -91.502 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: 1.988 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: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2416.557198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.557198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.557198 (E_RNA) where: Base-Base interactions energy: -1738.155 where: short stacking energy: -684.900 Base-Backbone interact. energy: -1.951 local terms energy: -676.451091 where: bonds (distance) C4'-P energy: -131.966 bonds (distance) P-C4' energy: -125.829 flat angles C4'-P-C4' energy: -142.593 flat angles P-C4'-P energy: -104.499 tors. eta vs tors. theta energy: -171.565 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: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2333.674516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.674516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.674516 (E_RNA) where: Base-Base interactions energy: -1649.884 where: short stacking energy: -664.228 Base-Backbone interact. energy: -3.974 local terms energy: -679.816331 where: bonds (distance) C4'-P energy: -116.051 bonds (distance) P-C4' energy: -137.905 flat angles C4'-P-C4' energy: -147.897 flat angles P-C4'-P energy: -91.651 tors. eta vs tors. theta energy: -186.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2234.033101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.033101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.033101 (E_RNA) where: Base-Base interactions energy: -1542.472 where: short stacking energy: -669.279 Base-Backbone interact. energy: -0.868 local terms energy: -690.692442 where: bonds (distance) C4'-P energy: -110.137 bonds (distance) P-C4' energy: -138.291 flat angles C4'-P-C4' energy: -139.409 flat angles P-C4'-P energy: -94.092 tors. eta vs tors. theta energy: -208.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2105.401801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.401801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.401801 (E_RNA) where: Base-Base interactions energy: -1487.566 where: short stacking energy: -623.994 Base-Backbone interact. energy: -2.703 local terms energy: -615.132735 where: bonds (distance) C4'-P energy: -109.725 bonds (distance) P-C4' energy: -118.225 flat angles C4'-P-C4' energy: -135.995 flat angles P-C4'-P energy: -86.740 tors. eta vs tors. theta energy: -164.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1967.129357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.129357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.129357 (E_RNA) where: Base-Base interactions energy: -1385.527 where: short stacking energy: -594.580 Base-Backbone interact. energy: -0.922 local terms energy: -580.679986 where: bonds (distance) C4'-P energy: -110.617 bonds (distance) P-C4' energy: -118.079 flat angles C4'-P-C4' energy: -125.915 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -164.634 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1722.690912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.690912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.690912 (E_RNA) where: Base-Base interactions energy: -1168.951 where: short stacking energy: -505.420 Base-Backbone interact. energy: -1.836 local terms energy: -551.904278 where: bonds (distance) C4'-P energy: -102.646 bonds (distance) P-C4' energy: -117.649 flat angles C4'-P-C4' energy: -127.552 flat angles P-C4'-P energy: -74.587 tors. eta vs tors. theta energy: -129.470 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: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1705.341105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.341105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.341105 (E_RNA) where: Base-Base interactions energy: -1164.254 where: short stacking energy: -508.449 Base-Backbone interact. energy: 0.033 local terms energy: -541.120298 where: bonds (distance) C4'-P energy: -107.503 bonds (distance) P-C4' energy: -116.469 flat angles C4'-P-C4' energy: -125.601 flat angles P-C4'-P energy: -78.676 tors. eta vs tors. theta energy: -112.872 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: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1488.488949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.488949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.488949 (E_RNA) where: Base-Base interactions energy: -1000.536 where: short stacking energy: -434.368 Base-Backbone interact. energy: -2.178 local terms energy: -485.774763 where: bonds (distance) C4'-P energy: -98.138 bonds (distance) P-C4' energy: -94.491 flat angles C4'-P-C4' energy: -120.656 flat angles P-C4'-P energy: -68.406 tors. eta vs tors. theta energy: -104.084 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: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1105.879847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.879847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.879847 (E_RNA) where: Base-Base interactions energy: -687.026 where: short stacking energy: -341.038 Base-Backbone interact. energy: 4.617 local terms energy: -423.470088 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -107.920 flat angles P-C4'-P energy: -63.779 tors. eta vs tors. theta energy: -53.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -775.261674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.261674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.261674 (E_RNA) where: Base-Base interactions energy: -447.969 where: short stacking energy: -244.736 Base-Backbone interact. energy: 4.179 local terms energy: -331.471166 where: bonds (distance) C4'-P energy: -86.569 bonds (distance) P-C4' energy: -109.466 flat angles C4'-P-C4' energy: -80.361 flat angles P-C4'-P energy: -42.796 tors. eta vs tors. theta energy: -12.279 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2426.428732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.428732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.428732 (E_RNA) where: Base-Base interactions energy: -1723.024 where: short stacking energy: -689.392 Base-Backbone interact. energy: -5.271 local terms energy: -698.133866 where: bonds (distance) C4'-P energy: -134.327 bonds (distance) P-C4' energy: -126.717 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -104.372 tors. eta vs tors. theta energy: -189.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2328.244051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.244051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.244051 (E_RNA) where: Base-Base interactions energy: -1656.961 where: short stacking energy: -699.894 Base-Backbone interact. energy: -1.965 local terms energy: -669.317752 where: bonds (distance) C4'-P energy: -131.551 bonds (distance) P-C4' energy: -123.847 flat angles C4'-P-C4' energy: -127.452 flat angles P-C4'-P energy: -95.417 tors. eta vs tors. theta energy: -191.051 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: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2254.608789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.608789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.608789 (E_RNA) where: Base-Base interactions energy: -1588.237 where: short stacking energy: -659.253 Base-Backbone interact. energy: -4.684 local terms energy: -661.687076 where: bonds (distance) C4'-P energy: -119.589 bonds (distance) P-C4' energy: -124.485 flat angles C4'-P-C4' energy: -137.642 flat angles P-C4'-P energy: -98.750 tors. eta vs tors. theta energy: -181.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2095.097537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.097537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.097537 (E_RNA) where: Base-Base interactions energy: -1446.585 where: short stacking energy: -609.292 Base-Backbone interact. energy: 1.426 local terms energy: -649.938675 where: bonds (distance) C4'-P energy: -117.856 bonds (distance) P-C4' energy: -124.162 flat angles C4'-P-C4' energy: -134.632 flat angles P-C4'-P energy: -100.299 tors. eta vs tors. theta energy: -172.990 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: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1956.989852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.989852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.989852 (E_RNA) where: Base-Base interactions energy: -1352.695 where: short stacking energy: -559.434 Base-Backbone interact. energy: 0.227 local terms energy: -604.521597 where: bonds (distance) C4'-P energy: -114.018 bonds (distance) P-C4' energy: -130.686 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -73.226 tors. eta vs tors. theta energy: -151.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1748.865571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.865571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.865571 (E_RNA) where: Base-Base interactions energy: -1197.654 where: short stacking energy: -515.213 Base-Backbone interact. energy: -1.585 local terms energy: -549.626657 where: bonds (distance) C4'-P energy: -112.713 bonds (distance) P-C4' energy: -113.880 flat angles C4'-P-C4' energy: -125.994 flat angles P-C4'-P energy: -79.208 tors. eta vs tors. theta energy: -117.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1686.324170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.324170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.324170 (E_RNA) where: Base-Base interactions energy: -1160.509 where: short stacking energy: -526.137 Base-Backbone interact. energy: 3.352 local terms energy: -529.167355 where: bonds (distance) C4'-P energy: -102.788 bonds (distance) P-C4' energy: -111.927 flat angles C4'-P-C4' energy: -115.121 flat angles P-C4'-P energy: -83.042 tors. eta vs tors. theta energy: -116.289 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: 273 Temperature: 1.250000 Total energy: -1541.526099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.526099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.526099 (E_RNA) where: Base-Base interactions energy: -1049.508 where: short stacking energy: -465.520 Base-Backbone interact. energy: 1.963 local terms energy: -493.980955 where: bonds (distance) C4'-P energy: -100.921 bonds (distance) P-C4' energy: -105.323 flat angles C4'-P-C4' energy: -109.289 flat angles P-C4'-P energy: -71.339 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: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1158.148453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.148453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.148453 (E_RNA) where: Base-Base interactions energy: -743.718 where: short stacking energy: -365.525 Base-Backbone interact. energy: -3.244 local terms energy: -411.185963 where: bonds (distance) C4'-P energy: -95.347 bonds (distance) P-C4' energy: -97.034 flat angles C4'-P-C4' energy: -106.899 flat angles P-C4'-P energy: -44.616 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: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -784.059237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.059237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.059237 (E_RNA) where: Base-Base interactions energy: -427.957 where: short stacking energy: -226.384 Base-Backbone interact. energy: -2.652 local terms energy: -353.450656 where: bonds (distance) C4'-P energy: -104.845 bonds (distance) P-C4' energy: -92.905 flat angles C4'-P-C4' energy: -95.880 flat angles P-C4'-P energy: -45.328 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2403.440092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.440092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.440092 (E_RNA) where: Base-Base interactions energy: -1691.406 where: short stacking energy: -711.564 Base-Backbone interact. energy: 0.978 local terms energy: -713.011979 where: bonds (distance) C4'-P energy: -129.360 bonds (distance) P-C4' energy: -141.926 flat angles C4'-P-C4' energy: -156.701 flat angles P-C4'-P energy: -97.016 tors. eta vs tors. theta energy: -188.009 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: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2337.628942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.628942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.628942 (E_RNA) where: Base-Base interactions energy: -1624.063 where: short stacking energy: -668.829 Base-Backbone interact. energy: -3.951 local terms energy: -709.614368 where: bonds (distance) C4'-P energy: -143.455 bonds (distance) P-C4' energy: -143.631 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -91.422 tors. eta vs tors. theta energy: -184.682 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: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2224.217118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.217118 (E_RNA) where: Base-Base interactions energy: -1543.946 where: short stacking energy: -650.042 Base-Backbone interact. energy: -5.352 local terms energy: -674.919942 where: bonds (distance) C4'-P energy: -116.801 bonds (distance) P-C4' energy: -133.826 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -186.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2098.587643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.587643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.587643 (E_RNA) where: Base-Base interactions energy: -1459.204 where: short stacking energy: -621.143 Base-Backbone interact. energy: -3.764 local terms energy: -635.619753 where: bonds (distance) C4'-P energy: -128.914 bonds (distance) P-C4' energy: -121.319 flat angles C4'-P-C4' energy: -129.123 flat angles P-C4'-P energy: -93.530 tors. eta vs tors. theta energy: -162.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1971.973810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.973810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.973810 (E_RNA) where: Base-Base interactions energy: -1362.512 where: short stacking energy: -596.390 Base-Backbone interact. energy: -2.127 local terms energy: -607.335647 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -118.786 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -157.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1813.277210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.277210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.277210 (E_RNA) where: Base-Base interactions energy: -1247.806 where: short stacking energy: -565.169 Base-Backbone interact. energy: -2.564 local terms energy: -562.906830 where: bonds (distance) C4'-P energy: -115.272 bonds (distance) P-C4' energy: -110.304 flat angles C4'-P-C4' energy: -130.947 flat angles P-C4'-P energy: -67.877 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: 7, replica: 8 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1711.644524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.644524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.644524 (E_RNA) where: Base-Base interactions energy: -1166.340 where: short stacking energy: -487.640 Base-Backbone interact. energy: -1.140 local terms energy: -544.164244 where: bonds (distance) C4'-P energy: -112.720 bonds (distance) P-C4' energy: -118.057 flat angles C4'-P-C4' energy: -121.666 flat angles P-C4'-P energy: -75.838 tors. eta vs tors. theta energy: -115.883 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: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1536.433355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.433355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.433355 (E_RNA) where: Base-Base interactions energy: -1047.829 where: short stacking energy: -479.521 Base-Backbone interact. energy: 0.679 local terms energy: -489.283764 where: bonds (distance) C4'-P energy: -101.214 bonds (distance) P-C4' energy: -112.239 flat angles C4'-P-C4' energy: -109.814 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -96.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1152.682016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.682016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.682016 (E_RNA) where: Base-Base interactions energy: -720.267 where: short stacking energy: -334.974 Base-Backbone interact. energy: -2.653 local terms energy: -429.762256 where: bonds (distance) C4'-P energy: -109.201 bonds (distance) P-C4' energy: -106.062 flat angles C4'-P-C4' energy: -90.131 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: -66.800 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: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -835.322283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.322283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.322283 (E_RNA) where: Base-Base interactions energy: -459.958 where: short stacking energy: -246.968 Base-Backbone interact. energy: -1.058 local terms energy: -374.306438 where: bonds (distance) C4'-P energy: -96.824 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: -32.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2387.159545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.159545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.159545 (E_RNA) where: Base-Base interactions energy: -1693.677 where: short stacking energy: -701.183 Base-Backbone interact. energy: 2.281 local terms energy: -695.763072 where: bonds (distance) C4'-P energy: -135.347 bonds (distance) P-C4' energy: -126.289 flat angles C4'-P-C4' energy: -150.655 flat angles P-C4'-P energy: -99.916 tors. eta vs tors. theta energy: -183.556 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: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2342.081178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.081178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.081178 (E_RNA) where: Base-Base interactions energy: -1637.712 where: short stacking energy: -688.690 Base-Backbone interact. energy: 1.149 local terms energy: -705.518722 where: bonds (distance) C4'-P energy: -122.871 bonds (distance) P-C4' energy: -137.322 flat angles C4'-P-C4' energy: -161.172 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -195.189 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: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2238.490897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.490897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.490897 (E_RNA) where: Base-Base interactions energy: -1572.767 where: short stacking energy: -639.264 Base-Backbone interact. energy: -6.583 local terms energy: -659.140842 where: bonds (distance) C4'-P energy: -117.856 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -151.203 flat angles P-C4'-P energy: -97.232 tors. eta vs tors. theta energy: -170.601 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: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2133.244274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.244274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.244274 (E_RNA) where: Base-Base interactions energy: -1475.724 where: short stacking energy: -628.187 Base-Backbone interact. energy: -4.267 local terms energy: -653.252910 where: bonds (distance) C4'-P energy: -128.022 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -89.906 tors. eta vs tors. theta energy: -167.188 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: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1969.854427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.854427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.854427 (E_RNA) where: Base-Base interactions energy: -1346.628 where: short stacking energy: -589.130 Base-Backbone interact. energy: -2.895 local terms energy: -620.331454 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -122.657 flat angles C4'-P-C4' energy: -132.953 flat angles P-C4'-P energy: -91.569 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1745.252530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.252530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.252530 (E_RNA) where: Base-Base interactions energy: -1168.241 where: short stacking energy: -516.008 Base-Backbone interact. energy: -1.449 local terms energy: -575.562432 where: bonds (distance) C4'-P energy: -115.741 bonds (distance) P-C4' energy: -130.569 flat angles C4'-P-C4' energy: -116.081 flat angles P-C4'-P energy: -86.206 tors. eta vs tors. theta energy: -126.965 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: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1754.489102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.489102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.489102 (E_RNA) where: Base-Base interactions energy: -1216.172 where: short stacking energy: -501.144 Base-Backbone interact. energy: 0.757 local terms energy: -539.074990 where: bonds (distance) C4'-P energy: -103.875 bonds (distance) P-C4' energy: -115.155 flat angles C4'-P-C4' energy: -119.332 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -119.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1555.831014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.831014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.831014 (E_RNA) where: Base-Base interactions energy: -1022.893 where: short stacking energy: -456.768 Base-Backbone interact. energy: -2.705 local terms energy: -530.233244 where: bonds (distance) C4'-P energy: -113.985 bonds (distance) P-C4' energy: -102.036 flat angles C4'-P-C4' energy: -118.131 flat angles P-C4'-P energy: -85.364 tors. eta vs tors. theta energy: -110.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1178.894914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.894914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.894914 (E_RNA) where: Base-Base interactions energy: -734.190 where: short stacking energy: -341.891 Base-Backbone interact. energy: 0.084 local terms energy: -444.789590 where: bonds (distance) C4'-P energy: -101.652 bonds (distance) P-C4' energy: -114.595 flat angles C4'-P-C4' energy: -109.261 flat angles P-C4'-P energy: -73.691 tors. eta vs tors. theta energy: -45.591 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: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -881.181718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.181718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.181718 (E_RNA) where: Base-Base interactions energy: -476.217 where: short stacking energy: -222.711 Base-Backbone interact. energy: 0.231 local terms energy: -405.195945 where: bonds (distance) C4'-P energy: -116.114 bonds (distance) P-C4' energy: -106.840 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -49.033 tors. eta vs tors. theta energy: -21.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2411.358930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.358930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.358930 (E_RNA) where: Base-Base interactions energy: -1700.477 where: short stacking energy: -678.997 Base-Backbone interact. energy: -2.218 local terms energy: -708.663527 where: bonds (distance) C4'-P energy: -143.006 bonds (distance) P-C4' energy: -139.185 flat angles C4'-P-C4' energy: -151.073 flat angles P-C4'-P energy: -92.332 tors. eta vs tors. theta energy: -183.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2374.020163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.020163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.020163 (E_RNA) where: Base-Base interactions energy: -1693.858 where: short stacking energy: -708.996 Base-Backbone interact. energy: -3.462 local terms energy: -676.700208 where: bonds (distance) C4'-P energy: -109.299 bonds (distance) P-C4' energy: -125.231 flat angles C4'-P-C4' energy: -148.107 flat angles P-C4'-P energy: -104.798 tors. eta vs tors. theta energy: -189.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2265.711380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.711380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.711380 (E_RNA) where: Base-Base interactions energy: -1602.750 where: short stacking energy: -645.248 Base-Backbone interact. energy: -5.158 local terms energy: -657.803541 where: bonds (distance) C4'-P energy: -112.404 bonds (distance) P-C4' energy: -137.038 flat angles C4'-P-C4' energy: -144.459 flat angles P-C4'-P energy: -88.876 tors. eta vs tors. theta energy: -175.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2130.388171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.388171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.388171 (E_RNA) where: Base-Base interactions energy: -1484.149 where: short stacking energy: -613.893 Base-Backbone interact. energy: -2.973 local terms energy: -643.266451 where: bonds (distance) C4'-P energy: -119.307 bonds (distance) P-C4' energy: -120.012 flat angles C4'-P-C4' energy: -135.048 flat angles P-C4'-P energy: -98.182 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: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2014.673661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.673661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.673661 (E_RNA) where: Base-Base interactions energy: -1382.218 where: short stacking energy: -550.427 Base-Backbone interact. energy: -2.715 local terms energy: -629.740363 where: bonds (distance) C4'-P energy: -135.243 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -126.046 flat angles P-C4'-P energy: -88.210 tors. eta vs tors. theta energy: -152.368 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: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1766.821161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.821161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.821161 (E_RNA) where: Base-Base interactions energy: -1206.883 where: short stacking energy: -501.257 Base-Backbone interact. energy: 4.049 local terms energy: -563.987144 where: bonds (distance) C4'-P energy: -116.937 bonds (distance) P-C4' energy: -114.802 flat angles C4'-P-C4' energy: -125.696 flat angles P-C4'-P energy: -81.825 tors. eta vs tors. theta energy: -124.727 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: 276 Temperature: 1.200000 Total energy: -1741.187494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.187494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.187494 (E_RNA) where: Base-Base interactions energy: -1220.514 where: short stacking energy: -532.173 Base-Backbone interact. energy: 1.084 local terms energy: -521.757059 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -120.919 flat angles C4'-P-C4' energy: -123.446 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -128.008 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: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1538.967851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.967851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.967851 (E_RNA) where: Base-Base interactions energy: -1042.685 where: short stacking energy: -449.341 Base-Backbone interact. energy: 1.975 local terms energy: -498.257675 where: bonds (distance) C4'-P energy: -108.495 bonds (distance) P-C4' energy: -113.453 flat angles C4'-P-C4' energy: -106.079 flat angles P-C4'-P energy: -70.358 tors. eta vs tors. theta energy: -99.873 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1211.635078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.635078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.635078 (E_RNA) where: Base-Base interactions energy: -771.112 where: short stacking energy: -355.888 Base-Backbone interact. energy: -0.953 local terms energy: -439.569860 where: bonds (distance) C4'-P energy: -109.581 bonds (distance) P-C4' energy: -113.748 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: -45.725 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: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -821.866569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.866569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.866569 (E_RNA) where: Base-Base interactions energy: -453.168 where: short stacking energy: -249.250 Base-Backbone interact. energy: -2.084 local terms energy: -366.614871 where: bonds (distance) C4'-P energy: -99.553 bonds (distance) P-C4' energy: -103.129 flat angles C4'-P-C4' energy: -85.666 flat angles P-C4'-P energy: -55.957 tors. eta vs tors. theta energy: -22.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2411.127802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.127802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.127802 (E_RNA) where: Base-Base interactions energy: -1696.475 where: short stacking energy: -697.453 Base-Backbone interact. energy: -7.946 local terms energy: -706.706609 where: bonds (distance) C4'-P energy: -128.597 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -150.311 flat angles P-C4'-P energy: -99.081 tors. eta vs tors. theta energy: -186.631 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: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2325.906467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.906467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.906467 (E_RNA) where: Base-Base interactions energy: -1627.656 where: short stacking energy: -688.604 Base-Backbone interact. energy: -2.578 local terms energy: -695.672502 where: bonds (distance) C4'-P energy: -122.470 bonds (distance) P-C4' energy: -136.967 flat angles C4'-P-C4' energy: -154.555 flat angles P-C4'-P energy: -95.844 tors. eta vs tors. theta energy: -185.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2237.568288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.568288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.568288 (E_RNA) where: Base-Base interactions energy: -1572.151 where: short stacking energy: -645.527 Base-Backbone interact. energy: -3.529 local terms energy: -661.887997 where: bonds (distance) C4'-P energy: -128.331 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -151.286 flat angles P-C4'-P energy: -93.491 tors. eta vs tors. theta energy: -170.474 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: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2117.716612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.716612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.716612 (E_RNA) where: Base-Base interactions energy: -1512.230 where: short stacking energy: -628.835 Base-Backbone interact. energy: -5.214 local terms energy: -600.272047 where: bonds (distance) C4'-P energy: -123.821 bonds (distance) P-C4' energy: -103.996 flat angles C4'-P-C4' energy: -127.349 flat angles P-C4'-P energy: -82.726 tors. eta vs tors. theta energy: -162.381 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: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1994.474266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.474266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.474266 (E_RNA) where: Base-Base interactions energy: -1412.833 where: short stacking energy: -613.325 Base-Backbone interact. energy: 1.638 local terms energy: -583.279183 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -124.647 flat angles C4'-P-C4' energy: -120.839 flat angles P-C4'-P energy: -85.687 tors. eta vs tors. theta energy: -148.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1758.120985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.120985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.120985 (E_RNA) where: Base-Base interactions energy: -1203.503 where: short stacking energy: -501.142 Base-Backbone interact. energy: -2.692 local terms energy: -551.925762 where: bonds (distance) C4'-P energy: -117.728 bonds (distance) P-C4' energy: -118.952 flat angles C4'-P-C4' energy: -126.766 flat angles P-C4'-P energy: -80.697 tors. eta vs tors. theta energy: -107.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1744.654754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.654754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.654754 (E_RNA) where: Base-Base interactions energy: -1197.021 where: short stacking energy: -523.609 Base-Backbone interact. energy: -2.402 local terms energy: -545.231979 where: bonds (distance) C4'-P energy: -107.105 bonds (distance) P-C4' energy: -102.044 flat angles C4'-P-C4' energy: -125.813 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -130.274 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: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1525.180388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.180388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.180388 (E_RNA) where: Base-Base interactions energy: -1005.157 where: short stacking energy: -437.408 Base-Backbone interact. energy: -2.617 local terms energy: -517.406463 where: bonds (distance) C4'-P energy: -113.654 bonds (distance) P-C4' energy: -99.500 flat angles C4'-P-C4' energy: -126.386 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -101.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1177.652434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.652434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.652434 (E_RNA) where: Base-Base interactions energy: -766.965 where: short stacking energy: -351.976 Base-Backbone interact. energy: -4.744 local terms energy: -405.943571 where: bonds (distance) C4'-P energy: -96.697 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -50.852 tors. eta vs tors. theta energy: -50.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -823.072832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.072832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.072832 (E_RNA) where: Base-Base interactions energy: -399.674 where: short stacking energy: -213.650 Base-Backbone interact. energy: -2.113 local terms energy: -421.285561 where: bonds (distance) C4'-P energy: -105.458 bonds (distance) P-C4' energy: -136.921 flat angles C4'-P-C4' energy: -100.013 flat angles P-C4'-P energy: -50.307 tors. eta vs tors. theta energy: -28.586 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: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2403.052258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.052258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.052258 (E_RNA) where: Base-Base interactions energy: -1693.044 where: short stacking energy: -676.672 Base-Backbone interact. energy: -2.238 local terms energy: -707.770908 where: bonds (distance) C4'-P energy: -140.428 bonds (distance) P-C4' energy: -135.049 flat angles C4'-P-C4' energy: -150.671 flat angles P-C4'-P energy: -106.208 tors. eta vs tors. theta energy: -175.415 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: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2359.522340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.522340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.522340 (E_RNA) where: Base-Base interactions energy: -1663.454 where: short stacking energy: -699.311 Base-Backbone interact. energy: -2.611 local terms energy: -693.457479 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -125.136 flat angles C4'-P-C4' energy: -152.672 flat angles P-C4'-P energy: -101.894 tors. eta vs tors. theta energy: -195.853 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2221.533937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.533937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.533937 (E_RNA) where: Base-Base interactions energy: -1537.193 where: short stacking energy: -632.568 Base-Backbone interact. energy: -2.256 local terms energy: -682.085210 where: bonds (distance) C4'-P energy: -140.322 bonds (distance) P-C4' energy: -113.224 flat angles C4'-P-C4' energy: -138.432 flat angles P-C4'-P energy: -93.620 tors. eta vs tors. theta energy: -196.488 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: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2133.073784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.073784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.073784 (E_RNA) where: Base-Base interactions energy: -1504.574 where: short stacking energy: -616.756 Base-Backbone interact. energy: -3.041 local terms energy: -625.459245 where: bonds (distance) C4'-P energy: -113.538 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -138.001 flat angles P-C4'-P energy: -87.373 tors. eta vs tors. theta energy: -167.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1976.397673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.397673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.397673 (E_RNA) where: Base-Base interactions energy: -1388.998 where: short stacking energy: -585.363 Base-Backbone interact. energy: -3.291 local terms energy: -584.108236 where: bonds (distance) C4'-P energy: -118.750 bonds (distance) P-C4' energy: -104.847 flat angles C4'-P-C4' energy: -122.047 flat angles P-C4'-P energy: -79.202 tors. eta vs tors. theta energy: -159.263 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1784.944910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.944910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.944910 (E_RNA) where: Base-Base interactions energy: -1218.868 where: short stacking energy: -555.673 Base-Backbone interact. energy: -0.424 local terms energy: -565.652576 where: bonds (distance) C4'-P energy: -104.779 bonds (distance) P-C4' energy: -114.649 flat angles C4'-P-C4' energy: -132.186 flat angles P-C4'-P energy: -76.194 tors. eta vs tors. theta energy: -137.844 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: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1766.642012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.642012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.642012 (E_RNA) where: Base-Base interactions energy: -1229.567 where: short stacking energy: -514.671 Base-Backbone interact. energy: -0.559 local terms energy: -536.516435 where: bonds (distance) C4'-P energy: -103.094 bonds (distance) P-C4' energy: -104.741 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -79.874 tors. eta vs tors. theta energy: -128.641 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: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1469.028731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.028731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.028731 (E_RNA) where: Base-Base interactions energy: -979.229 where: short stacking energy: -429.883 Base-Backbone interact. energy: -0.732 local terms energy: -489.067413 where: bonds (distance) C4'-P energy: -118.552 bonds (distance) P-C4' energy: -111.265 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -94.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1161.669902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.669902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.669902 (E_RNA) where: Base-Base interactions energy: -753.862 where: short stacking energy: -351.196 Base-Backbone interact. energy: 0.612 local terms energy: -408.420463 where: bonds (distance) C4'-P energy: -100.691 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -88.803 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -57.811 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: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -819.454866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.454866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.454866 (E_RNA) where: Base-Base interactions energy: -460.293 where: short stacking energy: -228.951 Base-Backbone interact. energy: -0.314 local terms energy: -358.847605 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -108.934 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: -10.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2393.541748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.541748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.541748 (E_RNA) where: Base-Base interactions energy: -1704.133 where: short stacking energy: -689.296 Base-Backbone interact. energy: -5.480 local terms energy: -683.929458 where: bonds (distance) C4'-P energy: -128.978 bonds (distance) P-C4' energy: -132.887 flat angles C4'-P-C4' energy: -145.606 flat angles P-C4'-P energy: -100.362 tors. eta vs tors. theta energy: -176.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2302.767260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.767260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.767260 (E_RNA) where: Base-Base interactions energy: -1628.846 where: short stacking energy: -703.982 Base-Backbone interact. energy: -2.775 local terms energy: -671.145398 where: bonds (distance) C4'-P energy: -132.554 bonds (distance) P-C4' energy: -108.177 flat angles C4'-P-C4' energy: -139.801 flat angles P-C4'-P energy: -91.717 tors. eta vs tors. theta energy: -198.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2255.263172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.263172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.263172 (E_RNA) where: Base-Base interactions energy: -1576.079 where: short stacking energy: -642.273 Base-Backbone interact. energy: -3.084 local terms energy: -676.100422 where: bonds (distance) C4'-P energy: -125.905 bonds (distance) P-C4' energy: -108.708 flat angles C4'-P-C4' energy: -144.848 flat angles P-C4'-P energy: -105.885 tors. eta vs tors. theta energy: -190.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2184.174328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.174328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.174328 (E_RNA) where: Base-Base interactions energy: -1522.942 where: short stacking energy: -629.790 Base-Backbone interact. energy: -1.474 local terms energy: -659.758563 where: bonds (distance) C4'-P energy: -119.153 bonds (distance) P-C4' energy: -133.436 flat angles C4'-P-C4' energy: -136.309 flat angles P-C4'-P energy: -92.570 tors. eta vs tors. theta energy: -178.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1949.205325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.205325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.205325 (E_RNA) where: Base-Base interactions energy: -1377.757 where: short stacking energy: -583.175 Base-Backbone interact. energy: -1.796 local terms energy: -569.652638 where: bonds (distance) C4'-P energy: -112.005 bonds (distance) P-C4' energy: -122.657 flat angles C4'-P-C4' energy: -115.948 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -142.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1811.563802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.563802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.563802 (E_RNA) where: Base-Base interactions energy: -1234.040 where: short stacking energy: -545.561 Base-Backbone interact. energy: -1.880 local terms energy: -575.643978 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -129.448 flat angles C4'-P-C4' energy: -108.372 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: -150.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1684.651774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.651774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.651774 (E_RNA) where: Base-Base interactions energy: -1152.625 where: short stacking energy: -473.528 Base-Backbone interact. energy: -1.406 local terms energy: -530.620856 where: bonds (distance) C4'-P energy: -103.514 bonds (distance) P-C4' energy: -102.923 flat angles C4'-P-C4' energy: -124.454 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -124.539 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: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1540.619414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.619414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.619414 (E_RNA) where: Base-Base interactions energy: -1063.244 where: short stacking energy: -447.504 Base-Backbone interact. energy: -1.785 local terms energy: -475.590962 where: bonds (distance) C4'-P energy: -112.630 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -86.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1246.588449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.588449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.588449 (E_RNA) where: Base-Base interactions energy: -793.798 where: short stacking energy: -362.519 Base-Backbone interact. energy: 8.798 local terms energy: -461.588679 where: bonds (distance) C4'-P energy: -92.431 bonds (distance) P-C4' energy: -118.861 flat angles C4'-P-C4' energy: -101.500 flat angles P-C4'-P energy: -73.556 tors. eta vs tors. theta energy: -75.240 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: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -806.795950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.795950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.795950 (E_RNA) where: Base-Base interactions energy: -437.360 where: short stacking energy: -248.156 Base-Backbone interact. energy: 3.463 local terms energy: -372.899369 where: bonds (distance) C4'-P energy: -108.529 bonds (distance) P-C4' energy: -97.110 flat angles C4'-P-C4' energy: -97.777 flat angles P-C4'-P energy: -53.634 tors. eta vs tors. theta energy: -15.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2420.986941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.986941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.986941 (E_RNA) where: Base-Base interactions energy: -1730.562 where: short stacking energy: -709.523 Base-Backbone interact. energy: -3.369 local terms energy: -687.056333 where: bonds (distance) C4'-P energy: -136.334 bonds (distance) P-C4' energy: -143.856 flat angles C4'-P-C4' energy: -133.395 flat angles P-C4'-P energy: -95.962 tors. eta vs tors. theta energy: -177.509 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: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2324.988266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.988266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.988266 (E_RNA) where: Base-Base interactions energy: -1650.443 where: short stacking energy: -694.478 Base-Backbone interact. energy: -1.237 local terms energy: -673.308211 where: bonds (distance) C4'-P energy: -111.469 bonds (distance) P-C4' energy: -126.227 flat angles C4'-P-C4' energy: -136.182 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -198.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2252.610713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.610713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.610713 (E_RNA) where: Base-Base interactions energy: -1581.954 where: short stacking energy: -654.547 Base-Backbone interact. energy: -1.648 local terms energy: -669.008015 where: bonds (distance) C4'-P energy: -110.872 bonds (distance) P-C4' energy: -128.897 flat angles C4'-P-C4' energy: -142.206 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -184.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2123.915946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.915946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.915946 (E_RNA) where: Base-Base interactions energy: -1503.505 where: short stacking energy: -619.519 Base-Backbone interact. energy: 0.040 local terms energy: -620.450968 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -126.642 flat angles C4'-P-C4' energy: -141.528 flat angles P-C4'-P energy: -72.900 tors. eta vs tors. theta energy: -167.874 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: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1978.102587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.102587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.102587 (E_RNA) where: Base-Base interactions energy: -1383.514 where: short stacking energy: -568.880 Base-Backbone interact. energy: -4.205 local terms energy: -590.383255 where: bonds (distance) C4'-P energy: -130.340 bonds (distance) P-C4' energy: -109.906 flat angles C4'-P-C4' energy: -124.332 flat angles P-C4'-P energy: -78.667 tors. eta vs tors. theta energy: -147.138 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: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1769.823687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.823687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.823687 (E_RNA) where: Base-Base interactions energy: -1214.955 where: short stacking energy: -548.367 Base-Backbone interact. energy: 3.003 local terms energy: -557.871544 where: bonds (distance) C4'-P energy: -107.996 bonds (distance) P-C4' energy: -110.801 flat angles C4'-P-C4' energy: -137.954 flat angles P-C4'-P energy: -71.982 tors. eta vs tors. theta energy: -129.139 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1700.613472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.613472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.613472 (E_RNA) where: Base-Base interactions energy: -1164.841 where: short stacking energy: -487.683 Base-Backbone interact. energy: -0.403 local terms energy: -535.369222 where: bonds (distance) C4'-P energy: -101.475 bonds (distance) P-C4' energy: -113.850 flat angles C4'-P-C4' energy: -114.719 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -124.541 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: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1530.772946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.772946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.772946 (E_RNA) where: Base-Base interactions energy: -1027.061 where: short stacking energy: -434.647 Base-Backbone interact. energy: -0.488 local terms energy: -503.223383 where: bonds (distance) C4'-P energy: -108.940 bonds (distance) P-C4' energy: -101.842 flat angles C4'-P-C4' energy: -130.751 flat angles P-C4'-P energy: -66.328 tors. eta vs tors. theta energy: -95.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1248.341965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.341965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.341965 (E_RNA) where: Base-Base interactions energy: -803.122 where: short stacking energy: -360.584 Base-Backbone interact. energy: 4.061 local terms energy: -449.281194 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -119.564 flat angles C4'-P-C4' energy: -96.189 flat angles P-C4'-P energy: -71.976 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: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -803.939396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.939396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.939396 (E_RNA) where: Base-Base interactions energy: -440.582 where: short stacking energy: -233.113 Base-Backbone interact. energy: 3.456 local terms energy: -366.814147 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -116.710 flat angles C4'-P-C4' energy: -82.994 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -24.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2434.864472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.864472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.864472 (E_RNA) where: Base-Base interactions energy: -1740.912 where: short stacking energy: -704.299 Base-Backbone interact. energy: 0.616 local terms energy: -694.569047 where: bonds (distance) C4'-P energy: -129.955 bonds (distance) P-C4' energy: -139.433 flat angles C4'-P-C4' energy: -157.859 flat angles P-C4'-P energy: -94.989 tors. eta vs tors. theta energy: -172.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2323.751233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.751233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.751233 (E_RNA) where: Base-Base interactions energy: -1635.111 where: short stacking energy: -702.201 Base-Backbone interact. energy: -0.025 local terms energy: -688.615252 where: bonds (distance) C4'-P energy: -119.116 bonds (distance) P-C4' energy: -126.373 flat angles C4'-P-C4' energy: -145.440 flat angles P-C4'-P energy: -103.203 tors. eta vs tors. theta energy: -194.483 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: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2234.226104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.226104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.226104 (E_RNA) where: Base-Base interactions energy: -1576.850 where: short stacking energy: -681.620 Base-Backbone interact. energy: -1.188 local terms energy: -656.188362 where: bonds (distance) C4'-P energy: -116.266 bonds (distance) P-C4' energy: -121.635 flat angles C4'-P-C4' energy: -129.879 flat angles P-C4'-P energy: -95.149 tors. eta vs tors. theta energy: -193.259 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: 4, replica: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2116.951083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.951083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.951083 (E_RNA) where: Base-Base interactions energy: -1494.266 where: short stacking energy: -622.094 Base-Backbone interact. energy: -1.187 local terms energy: -621.497545 where: bonds (distance) C4'-P energy: -105.504 bonds (distance) P-C4' energy: -119.195 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -77.226 tors. eta vs tors. theta energy: -169.279 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: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1966.724012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.724012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.724012 (E_RNA) where: Base-Base interactions energy: -1360.578 where: short stacking energy: -577.973 Base-Backbone interact. energy: 0.964 local terms energy: -607.110026 where: bonds (distance) C4'-P energy: -107.161 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -132.908 flat angles P-C4'-P energy: -94.901 tors. eta vs tors. theta energy: -153.462 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1766.305858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.305858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.305858 (E_RNA) where: Base-Base interactions energy: -1214.961 where: short stacking energy: -538.617 Base-Backbone interact. energy: 2.203 local terms energy: -553.548685 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -127.417 flat angles C4'-P-C4' energy: -115.536 flat angles P-C4'-P energy: -89.701 tors. eta vs tors. theta energy: -122.166 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: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1700.510379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.510379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.510379 (E_RNA) where: Base-Base interactions energy: -1158.986 where: short stacking energy: -509.845 Base-Backbone interact. energy: 0.255 local terms energy: -541.779339 where: bonds (distance) C4'-P energy: -107.127 bonds (distance) P-C4' energy: -126.901 flat angles C4'-P-C4' energy: -127.432 flat angles P-C4'-P energy: -62.783 tors. eta vs tors. theta energy: -117.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1539.334355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.334355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.334355 (E_RNA) where: Base-Base interactions energy: -1049.478 where: short stacking energy: -439.781 Base-Backbone interact. energy: -0.362 local terms energy: -489.494749 where: bonds (distance) C4'-P energy: -107.943 bonds (distance) P-C4' energy: -117.983 flat angles C4'-P-C4' energy: -116.505 flat angles P-C4'-P energy: -58.509 tors. eta vs tors. theta energy: -88.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1262.442726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.442726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.442726 (E_RNA) where: Base-Base interactions energy: -859.617 where: short stacking energy: -387.056 Base-Backbone interact. energy: 3.277 local terms energy: -406.102299 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -97.760 flat angles C4'-P-C4' energy: -104.707 flat angles P-C4'-P energy: -61.035 tors. eta vs tors. theta energy: -55.696 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: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -793.781204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.781204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.781204 (E_RNA) where: Base-Base interactions energy: -435.749 where: short stacking energy: -244.802 Base-Backbone interact. energy: 4.593 local terms energy: -362.624815 where: bonds (distance) C4'-P energy: -99.947 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -21.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2393.983249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.983249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.983249 (E_RNA) where: Base-Base interactions energy: -1659.841 where: short stacking energy: -696.380 Base-Backbone interact. energy: -1.456 local terms energy: -732.686043 where: bonds (distance) C4'-P energy: -130.806 bonds (distance) P-C4' energy: -144.256 flat angles C4'-P-C4' energy: -151.022 flat angles P-C4'-P energy: -101.452 tors. eta vs tors. theta energy: -205.150 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: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2377.738980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.738980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.738980 (E_RNA) where: Base-Base interactions energy: -1676.146 where: short stacking energy: -687.676 Base-Backbone interact. energy: -4.659 local terms energy: -696.933626 where: bonds (distance) C4'-P energy: -124.403 bonds (distance) P-C4' energy: -132.417 flat angles C4'-P-C4' energy: -156.889 flat angles P-C4'-P energy: -105.883 tors. eta vs tors. theta energy: -177.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2221.606626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.606626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.606626 (E_RNA) where: Base-Base interactions energy: -1554.840 where: short stacking energy: -673.182 Base-Backbone interact. energy: -0.291 local terms energy: -666.475526 where: bonds (distance) C4'-P energy: -107.717 bonds (distance) P-C4' energy: -128.394 flat angles C4'-P-C4' energy: -138.030 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -184.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2147.754480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.754480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.754480 (E_RNA) where: Base-Base interactions energy: -1497.332 where: short stacking energy: -614.302 Base-Backbone interact. energy: 0.915 local terms energy: -651.338340 where: bonds (distance) C4'-P energy: -120.864 bonds (distance) P-C4' energy: -120.891 flat angles C4'-P-C4' energy: -143.249 flat angles P-C4'-P energy: -102.825 tors. eta vs tors. theta energy: -163.510 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: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1961.514685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.514685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.514685 (E_RNA) where: Base-Base interactions energy: -1350.035 where: short stacking energy: -574.485 Base-Backbone interact. energy: -4.124 local terms energy: -607.355552 where: bonds (distance) C4'-P energy: -112.256 bonds (distance) P-C4' energy: -121.365 flat angles C4'-P-C4' energy: -141.789 flat angles P-C4'-P energy: -84.376 tors. eta vs tors. theta energy: -147.569 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: 8 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1842.386238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.386238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.386238 (E_RNA) where: Base-Base interactions energy: -1280.723 where: short stacking energy: -554.592 Base-Backbone interact. energy: 2.994 local terms energy: -564.656723 where: bonds (distance) C4'-P energy: -109.735 bonds (distance) P-C4' energy: -108.128 flat angles C4'-P-C4' energy: -130.887 flat angles P-C4'-P energy: -75.749 tors. eta vs tors. theta energy: -140.157 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: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1663.844089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.844089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.844089 (E_RNA) where: Base-Base interactions energy: -1161.863 where: short stacking energy: -490.574 Base-Backbone interact. energy: -1.773 local terms energy: -500.207825 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -115.578 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -111.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1603.070507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.070507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.070507 (E_RNA) where: Base-Base interactions energy: -1101.006 where: short stacking energy: -453.542 Base-Backbone interact. energy: 0.645 local terms energy: -502.709331 where: bonds (distance) C4'-P energy: -101.687 bonds (distance) P-C4' energy: -116.220 flat angles C4'-P-C4' energy: -115.546 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -100.854 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: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1283.089936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.089936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.089936 (E_RNA) where: Base-Base interactions energy: -826.789 where: short stacking energy: -373.529 Base-Backbone interact. energy: 4.517 local terms energy: -460.818234 where: bonds (distance) C4'-P energy: -102.215 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -93.282 flat angles P-C4'-P energy: -75.567 tors. eta vs tors. theta energy: -77.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -762.560119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.560119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.560119 (E_RNA) where: Base-Base interactions energy: -386.559 where: short stacking energy: -204.348 Base-Backbone interact. energy: -3.563 local terms energy: -372.438624 where: bonds (distance) C4'-P energy: -112.438 bonds (distance) P-C4' energy: -119.988 flat angles C4'-P-C4' energy: -86.669 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: 10.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2358.468946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.468946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.468946 (E_RNA) where: Base-Base interactions energy: -1655.643 where: short stacking energy: -714.695 Base-Backbone interact. energy: -0.481 local terms energy: -702.344626 where: bonds (distance) C4'-P energy: -128.778 bonds (distance) P-C4' energy: -137.465 flat angles C4'-P-C4' energy: -152.663 flat angles P-C4'-P energy: -95.145 tors. eta vs tors. theta energy: -188.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2397.237006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.237006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.237006 (E_RNA) where: Base-Base interactions energy: -1707.443 where: short stacking energy: -700.747 Base-Backbone interact. energy: 4.251 local terms energy: -694.045991 where: bonds (distance) C4'-P energy: -124.444 bonds (distance) P-C4' energy: -141.066 flat angles C4'-P-C4' energy: -147.291 flat angles P-C4'-P energy: -98.920 tors. eta vs tors. theta energy: -182.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2208.011026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.011026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.011026 (E_RNA) where: Base-Base interactions energy: -1537.952 where: short stacking energy: -656.190 Base-Backbone interact. energy: -2.215 local terms energy: -667.844041 where: bonds (distance) C4'-P energy: -113.331 bonds (distance) P-C4' energy: -118.420 flat angles C4'-P-C4' energy: -139.021 flat angles P-C4'-P energy: -115.021 tors. eta vs tors. theta energy: -182.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2136.143156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.143156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.143156 (E_RNA) where: Base-Base interactions energy: -1481.470 where: short stacking energy: -612.241 Base-Backbone interact. energy: 0.472 local terms energy: -655.145261 where: bonds (distance) C4'-P energy: -126.911 bonds (distance) P-C4' energy: -126.177 flat angles C4'-P-C4' energy: -140.585 flat angles P-C4'-P energy: -86.588 tors. eta vs tors. theta energy: -174.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1957.652809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.652809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.652809 (E_RNA) where: Base-Base interactions energy: -1352.725 where: short stacking energy: -574.114 Base-Backbone interact. energy: -2.633 local terms energy: -602.294936 where: bonds (distance) C4'-P energy: -114.069 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -140.261 flat angles P-C4'-P energy: -83.303 tors. eta vs tors. theta energy: -145.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1792.774921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.774921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.774921 (E_RNA) where: Base-Base interactions energy: -1227.480 where: short stacking energy: -519.191 Base-Backbone interact. energy: -2.571 local terms energy: -562.723624 where: bonds (distance) C4'-P energy: -113.917 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -116.577 flat angles P-C4'-P energy: -86.400 tors. eta vs tors. theta energy: -124.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1668.244258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.244258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.244258 (E_RNA) where: Base-Base interactions energy: -1143.813 where: short stacking energy: -500.657 Base-Backbone interact. energy: -3.413 local terms energy: -521.018062 where: bonds (distance) C4'-P energy: -90.330 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -113.234 flat angles P-C4'-P energy: -68.635 tors. eta vs tors. theta energy: -130.581 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: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1575.779331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.779331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.779331 (E_RNA) where: Base-Base interactions energy: -1041.936 where: short stacking energy: -443.059 Base-Backbone interact. energy: 5.424 local terms energy: -539.267194 where: bonds (distance) C4'-P energy: -122.842 bonds (distance) P-C4' energy: -119.163 flat angles C4'-P-C4' energy: -115.145 flat angles P-C4'-P energy: -80.759 tors. eta vs tors. theta energy: -101.358 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: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1378.323360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.323360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.323360 (E_RNA) where: Base-Base interactions energy: -913.148 where: short stacking energy: -401.601 Base-Backbone interact. energy: -1.677 local terms energy: -463.498326 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -112.537 flat angles C4'-P-C4' energy: -114.153 flat angles P-C4'-P energy: -67.376 tors. eta vs tors. theta energy: -82.043 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: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -757.065193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.065193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.065193 (E_RNA) where: Base-Base interactions energy: -388.396 where: short stacking energy: -221.785 Base-Backbone interact. energy: 0.940 local terms energy: -369.609973 where: bonds (distance) C4'-P energy: -116.453 bonds (distance) P-C4' energy: -94.884 flat angles C4'-P-C4' energy: -81.389 flat angles P-C4'-P energy: -60.550 tors. eta vs tors. theta energy: -16.334 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: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2419.329993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.329993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.329993 (E_RNA) where: Base-Base interactions energy: -1718.671 where: short stacking energy: -690.238 Base-Backbone interact. energy: -4.788 local terms energy: -695.871487 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -140.104 flat angles C4'-P-C4' energy: -146.688 flat angles P-C4'-P energy: -97.947 tors. eta vs tors. theta energy: -179.959 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: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2334.229514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.229514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.229514 (E_RNA) where: Base-Base interactions energy: -1639.000 where: short stacking energy: -710.115 Base-Backbone interact. energy: 0.706 local terms energy: -695.935401 where: bonds (distance) C4'-P energy: -117.131 bonds (distance) P-C4' energy: -137.454 flat angles C4'-P-C4' energy: -148.454 flat angles P-C4'-P energy: -98.521 tors. eta vs tors. theta energy: -194.374 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: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2238.319905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.319905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.319905 (E_RNA) where: Base-Base interactions energy: -1566.041 where: short stacking energy: -649.523 Base-Backbone interact. energy: -3.298 local terms energy: -668.980983 where: bonds (distance) C4'-P energy: -116.777 bonds (distance) P-C4' energy: -121.475 flat angles C4'-P-C4' energy: -137.917 flat angles P-C4'-P energy: -96.936 tors. eta vs tors. theta energy: -195.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2159.964185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.964185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.964185 (E_RNA) where: Base-Base interactions energy: -1520.116 where: short stacking energy: -640.931 Base-Backbone interact. energy: -0.940 local terms energy: -638.908615 where: bonds (distance) C4'-P energy: -119.163 bonds (distance) P-C4' energy: -121.261 flat angles C4'-P-C4' energy: -130.709 flat angles P-C4'-P energy: -99.112 tors. eta vs tors. theta energy: -168.664 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: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1891.152481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.152481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.152481 (E_RNA) where: Base-Base interactions energy: -1297.607 where: short stacking energy: -529.161 Base-Backbone interact. energy: -5.134 local terms energy: -588.411442 where: bonds (distance) C4'-P energy: -122.603 bonds (distance) P-C4' energy: -124.796 flat angles C4'-P-C4' energy: -122.722 flat angles P-C4'-P energy: -82.131 tors. eta vs tors. theta energy: -136.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1891.894394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.894394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.894394 (E_RNA) where: Base-Base interactions energy: -1302.453 where: short stacking energy: -528.133 Base-Backbone interact. energy: 1.648 local terms energy: -591.089220 where: bonds (distance) C4'-P energy: -112.799 bonds (distance) P-C4' energy: -119.107 flat angles C4'-P-C4' energy: -136.102 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: -155.509 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: 284 Temperature: 1.200000 Total energy: -1727.963955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.963955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.963955 (E_RNA) where: Base-Base interactions energy: -1172.211 where: short stacking energy: -517.054 Base-Backbone interact. energy: -3.290 local terms energy: -552.463691 where: bonds (distance) C4'-P energy: -126.984 bonds (distance) P-C4' energy: -104.278 flat angles C4'-P-C4' energy: -122.069 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -133.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1564.272076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.272076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.272076 (E_RNA) where: Base-Base interactions energy: -1070.655 where: short stacking energy: -457.026 Base-Backbone interact. energy: -2.363 local terms energy: -491.253947 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -91.736 flat angles C4'-P-C4' energy: -117.751 flat angles P-C4'-P energy: -80.049 tors. eta vs tors. theta energy: -102.655 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: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1347.572122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.572122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.572122 (E_RNA) where: Base-Base interactions energy: -887.083 where: short stacking energy: -396.845 Base-Backbone interact. energy: -2.515 local terms energy: -457.974912 where: bonds (distance) C4'-P energy: -106.363 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -110.701 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -69.399 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: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -771.361898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.361898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.361898 (E_RNA) where: Base-Base interactions energy: -399.666 where: short stacking energy: -214.192 Base-Backbone interact. energy: 0.076 local terms energy: -371.771953 where: bonds (distance) C4'-P energy: -110.179 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -89.006 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -1.732 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: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2428.633535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.633535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.633535 (E_RNA) where: Base-Base interactions energy: -1719.551 where: short stacking energy: -702.567 Base-Backbone interact. energy: -4.157 local terms energy: -704.925770 where: bonds (distance) C4'-P energy: -129.657 bonds (distance) P-C4' energy: -133.047 flat angles C4'-P-C4' energy: -153.187 flat angles P-C4'-P energy: -109.064 tors. eta vs tors. theta energy: -179.970 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: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2345.052114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.052114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.052114 (E_RNA) where: Base-Base interactions energy: -1652.729 where: short stacking energy: -698.135 Base-Backbone interact. energy: -3.445 local terms energy: -688.877749 where: bonds (distance) C4'-P energy: -122.216 bonds (distance) P-C4' energy: -140.797 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -194.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2274.224711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.224711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.224711 (E_RNA) where: Base-Base interactions energy: -1602.660 where: short stacking energy: -686.680 Base-Backbone interact. energy: -6.391 local terms energy: -665.174051 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -122.912 flat angles C4'-P-C4' energy: -142.431 flat angles P-C4'-P energy: -88.042 tors. eta vs tors. theta energy: -188.311 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: 285 Temperature: 1.050000 Total energy: -2116.252930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.252930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.252930 (E_RNA) where: Base-Base interactions energy: -1516.568 where: short stacking energy: -612.350 Base-Backbone interact. energy: -0.600 local terms energy: -599.084460 where: bonds (distance) C4'-P energy: -99.479 bonds (distance) P-C4' energy: -108.569 flat angles C4'-P-C4' energy: -141.008 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -162.476 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: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1902.209933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.209933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.209933 (E_RNA) where: Base-Base interactions energy: -1289.525 where: short stacking energy: -559.641 Base-Backbone interact. energy: -2.412 local terms energy: -610.272598 where: bonds (distance) C4'-P energy: -117.304 bonds (distance) P-C4' energy: -141.686 flat angles C4'-P-C4' energy: -131.612 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -138.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1868.877206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.877206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.877206 (E_RNA) where: Base-Base interactions energy: -1312.529 where: short stacking energy: -561.931 Base-Backbone interact. energy: 0.338 local terms energy: -556.685577 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -113.779 flat angles C4'-P-C4' energy: -119.693 flat angles P-C4'-P energy: -75.608 tors. eta vs tors. theta energy: -135.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1735.407750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.407750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.407750 (E_RNA) where: Base-Base interactions energy: -1220.373 where: short stacking energy: -523.833 Base-Backbone interact. energy: 3.668 local terms energy: -518.702443 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -115.568 flat angles C4'-P-C4' energy: -124.534 flat angles P-C4'-P energy: -68.892 tors. eta vs tors. theta energy: -119.924 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: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1587.571895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.571895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.571895 (E_RNA) where: Base-Base interactions energy: -1084.400 where: short stacking energy: -467.812 Base-Backbone interact. energy: 2.596 local terms energy: -505.767737 where: bonds (distance) C4'-P energy: -120.130 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -106.805 flat angles P-C4'-P energy: -62.008 tors. eta vs tors. theta energy: -97.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1414.150707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.150707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.150707 (E_RNA) where: Base-Base interactions energy: -939.426 where: short stacking energy: -416.013 Base-Backbone interact. energy: 4.131 local terms energy: -478.855374 where: bonds (distance) C4'-P energy: -98.375 bonds (distance) P-C4' energy: -122.912 flat angles C4'-P-C4' energy: -116.627 flat angles P-C4'-P energy: -64.705 tors. eta vs tors. theta energy: -76.237 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -765.892330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.892330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.892330 (E_RNA) where: Base-Base interactions energy: -399.711 where: short stacking energy: -224.336 Base-Backbone interact. energy: -2.014 local terms energy: -364.167699 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -98.341 flat angles C4'-P-C4' energy: -87.564 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2422.122073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.122073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.122073 (E_RNA) where: Base-Base interactions energy: -1731.094 where: short stacking energy: -712.307 Base-Backbone interact. energy: -2.927 local terms energy: -688.101529 where: bonds (distance) C4'-P energy: -114.174 bonds (distance) P-C4' energy: -130.016 flat angles C4'-P-C4' energy: -151.961 flat angles P-C4'-P energy: -114.900 tors. eta vs tors. theta energy: -177.050 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: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2334.944231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.944231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.944231 (E_RNA) where: Base-Base interactions energy: -1650.265 where: short stacking energy: -691.071 Base-Backbone interact. energy: -3.480 local terms energy: -681.199525 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -127.690 flat angles C4'-P-C4' energy: -143.502 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -198.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2288.895423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.895423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.895423 (E_RNA) where: Base-Base interactions energy: -1599.413 where: short stacking energy: -686.377 Base-Backbone interact. energy: 0.073 local terms energy: -689.555347 where: bonds (distance) C4'-P energy: -98.744 bonds (distance) P-C4' energy: -143.958 flat angles C4'-P-C4' energy: -147.605 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -196.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2129.135766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.135766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.135766 (E_RNA) where: Base-Base interactions energy: -1507.563 where: short stacking energy: -627.254 Base-Backbone interact. energy: -2.529 local terms energy: -619.044668 where: bonds (distance) C4'-P energy: -103.329 bonds (distance) P-C4' energy: -134.811 flat angles C4'-P-C4' energy: -123.437 flat angles P-C4'-P energy: -94.614 tors. eta vs tors. theta energy: -162.854 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: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1929.920488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.920488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.920488 (E_RNA) where: Base-Base interactions energy: -1319.473 where: short stacking energy: -576.259 Base-Backbone interact. energy: -3.187 local terms energy: -607.260877 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -116.951 flat angles C4'-P-C4' energy: -145.138 flat angles P-C4'-P energy: -93.029 tors. eta vs tors. theta energy: -152.700 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: 8 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1845.988221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.988221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.988221 (E_RNA) where: Base-Base interactions energy: -1263.897 where: short stacking energy: -524.558 Base-Backbone interact. energy: -2.315 local terms energy: -579.776490 where: bonds (distance) C4'-P energy: -116.547 bonds (distance) P-C4' energy: -118.805 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -82.161 tors. eta vs tors. theta energy: -129.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1822.966513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.966513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.966513 (E_RNA) where: Base-Base interactions energy: -1266.976 where: short stacking energy: -529.117 Base-Backbone interact. energy: -2.546 local terms energy: -553.444323 where: bonds (distance) C4'-P energy: -105.258 bonds (distance) P-C4' energy: -124.416 flat angles C4'-P-C4' energy: -124.990 flat angles P-C4'-P energy: -78.925 tors. eta vs tors. theta energy: -119.855 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: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1638.829672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.829672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.829672 (E_RNA) where: Base-Base interactions energy: -1125.963 where: short stacking energy: -468.072 Base-Backbone interact. energy: -3.758 local terms energy: -509.107998 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -112.133 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -74.556 tors. eta vs tors. theta energy: -108.688 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: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1374.586732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.586732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.586732 (E_RNA) where: Base-Base interactions energy: -940.403 where: short stacking energy: -385.589 Base-Backbone interact. energy: 0.223 local terms energy: -434.406533 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -106.088 flat angles C4'-P-C4' energy: -118.459 flat angles P-C4'-P energy: -62.104 tors. eta vs tors. theta energy: -63.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -775.790160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.790160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.790160 (E_RNA) where: Base-Base interactions energy: -430.062 where: short stacking energy: -252.386 Base-Backbone interact. energy: 2.811 local terms energy: -348.538829 where: bonds (distance) C4'-P energy: -83.880 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -92.874 flat angles P-C4'-P energy: -53.067 tors. eta vs tors. theta energy: -25.989 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: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2416.503395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.503395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.503395 (E_RNA) where: Base-Base interactions energy: -1726.398 where: short stacking energy: -699.699 Base-Backbone interact. energy: -7.612 local terms energy: -682.493243 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -121.541 flat angles C4'-P-C4' energy: -144.562 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -181.622 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: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2313.373999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.373999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.373999 (E_RNA) where: Base-Base interactions energy: -1602.050 where: short stacking energy: -690.623 Base-Backbone interact. energy: 1.779 local terms energy: -713.102126 where: bonds (distance) C4'-P energy: -129.091 bonds (distance) P-C4' energy: -131.355 flat angles C4'-P-C4' energy: -150.582 flat angles P-C4'-P energy: -100.862 tors. eta vs tors. theta energy: -201.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2272.794767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.794767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.794767 (E_RNA) where: Base-Base interactions energy: -1603.288 where: short stacking energy: -678.688 Base-Backbone interact. energy: -4.597 local terms energy: -664.910708 where: bonds (distance) C4'-P energy: -117.731 bonds (distance) P-C4' energy: -116.777 flat angles C4'-P-C4' energy: -154.879 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -182.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2124.990926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.990926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.990926 (E_RNA) where: Base-Base interactions energy: -1494.984 where: short stacking energy: -614.247 Base-Backbone interact. energy: -0.087 local terms energy: -629.919804 where: bonds (distance) C4'-P energy: -108.195 bonds (distance) P-C4' energy: -118.461 flat angles C4'-P-C4' energy: -146.807 flat angles P-C4'-P energy: -91.906 tors. eta vs tors. theta energy: -164.552 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1923.352666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.352666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.352666 (E_RNA) where: Base-Base interactions energy: -1315.407 where: short stacking energy: -569.089 Base-Backbone interact. energy: -3.552 local terms energy: -604.393865 where: bonds (distance) C4'-P energy: -119.333 bonds (distance) P-C4' energy: -105.691 flat angles C4'-P-C4' energy: -129.173 flat angles P-C4'-P energy: -77.648 tors. eta vs tors. theta energy: -172.548 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: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1807.804078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.804078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.804078 (E_RNA) where: Base-Base interactions energy: -1237.410 where: short stacking energy: -543.661 Base-Backbone interact. energy: -1.851 local terms energy: -568.543370 where: bonds (distance) C4'-P energy: -110.706 bonds (distance) P-C4' energy: -110.380 flat angles C4'-P-C4' energy: -123.303 flat angles P-C4'-P energy: -83.103 tors. eta vs tors. theta energy: -141.051 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: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1758.795300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.795300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.795300 (E_RNA) where: Base-Base interactions energy: -1206.901 where: short stacking energy: -500.378 Base-Backbone interact. energy: -3.934 local terms energy: -547.959898 where: bonds (distance) C4'-P energy: -104.764 bonds (distance) P-C4' energy: -120.398 flat angles C4'-P-C4' energy: -121.747 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -132.158 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: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1582.463729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.463729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.463729 (E_RNA) where: Base-Base interactions energy: -1089.960 where: short stacking energy: -460.290 Base-Backbone interact. energy: 2.242 local terms energy: -494.746536 where: bonds (distance) C4'-P energy: -95.336 bonds (distance) P-C4' energy: -113.809 flat angles C4'-P-C4' energy: -115.425 flat angles P-C4'-P energy: -66.721 tors. eta vs tors. theta energy: -103.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1334.102898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.102898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.102898 (E_RNA) where: Base-Base interactions energy: -864.919 where: short stacking energy: -386.423 Base-Backbone interact. energy: -3.317 local terms energy: -465.866110 where: bonds (distance) C4'-P energy: -96.771 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -84.094 tors. eta vs tors. theta energy: -73.761 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: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -873.632626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.632626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.632626 (E_RNA) where: Base-Base interactions energy: -483.037 where: short stacking energy: -235.079 Base-Backbone interact. energy: 0.579 local terms energy: -391.174859 where: bonds (distance) C4'-P energy: -111.435 bonds (distance) P-C4' energy: -104.629 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -55.287 tors. eta vs tors. theta energy: -5.449 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: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2409.415399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.415399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.415399 (E_RNA) where: Base-Base interactions energy: -1720.046 where: short stacking energy: -709.026 Base-Backbone interact. energy: -3.453 local terms energy: -685.916460 where: bonds (distance) C4'-P energy: -139.161 bonds (distance) P-C4' energy: -141.414 flat angles C4'-P-C4' energy: -143.052 flat angles P-C4'-P energy: -92.852 tors. eta vs tors. theta energy: -169.438 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: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2328.398598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.398598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.398598 (E_RNA) where: Base-Base interactions energy: -1620.027 where: short stacking energy: -666.321 Base-Backbone interact. energy: -4.121 local terms energy: -704.251041 where: bonds (distance) C4'-P energy: -126.795 bonds (distance) P-C4' energy: -132.100 flat angles C4'-P-C4' energy: -154.474 flat angles P-C4'-P energy: -102.254 tors. eta vs tors. theta energy: -188.629 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: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2264.445456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.445456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.445456 (E_RNA) where: Base-Base interactions energy: -1597.471 where: short stacking energy: -683.046 Base-Backbone interact. energy: 0.258 local terms energy: -667.232925 where: bonds (distance) C4'-P energy: -130.459 bonds (distance) P-C4' energy: -114.148 flat angles C4'-P-C4' energy: -131.905 flat angles P-C4'-P energy: -92.353 tors. eta vs tors. theta energy: -198.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2112.506052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.506052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.506052 (E_RNA) where: Base-Base interactions energy: -1442.777 where: short stacking energy: -596.662 Base-Backbone interact. energy: -2.827 local terms energy: -666.901222 where: bonds (distance) C4'-P energy: -126.283 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -141.219 flat angles P-C4'-P energy: -94.694 tors. eta vs tors. theta energy: -170.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1919.679422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.679422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.679422 (E_RNA) where: Base-Base interactions energy: -1319.952 where: short stacking energy: -548.707 Base-Backbone interact. energy: 10.102 local terms energy: -609.829345 where: bonds (distance) C4'-P energy: -122.795 bonds (distance) P-C4' energy: -111.940 flat angles C4'-P-C4' energy: -143.637 flat angles P-C4'-P energy: -87.911 tors. eta vs tors. theta energy: -143.546 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: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1804.179666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.179666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.179666 (E_RNA) where: Base-Base interactions energy: -1264.981 where: short stacking energy: -544.874 Base-Backbone interact. energy: 1.031 local terms energy: -540.229158 where: bonds (distance) C4'-P energy: -107.935 bonds (distance) P-C4' energy: -115.955 flat angles C4'-P-C4' energy: -127.317 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -134.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1731.927172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.927172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.927172 (E_RNA) where: Base-Base interactions energy: -1174.823 where: short stacking energy: -493.947 Base-Backbone interact. energy: -1.305 local terms energy: -555.799356 where: bonds (distance) C4'-P energy: -112.236 bonds (distance) P-C4' energy: -110.888 flat angles C4'-P-C4' energy: -123.661 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -132.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1598.722353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.722353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.722353 (E_RNA) where: Base-Base interactions energy: -1057.490 where: short stacking energy: -483.981 Base-Backbone interact. energy: -2.846 local terms energy: -538.385672 where: bonds (distance) C4'-P energy: -105.192 bonds (distance) P-C4' energy: -101.606 flat angles C4'-P-C4' energy: -131.337 flat angles P-C4'-P energy: -73.662 tors. eta vs tors. theta energy: -126.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1319.040243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.040243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.040243 (E_RNA) where: Base-Base interactions energy: -862.210 where: short stacking energy: -390.485 Base-Backbone interact. energy: -2.187 local terms energy: -454.642618 where: bonds (distance) C4'-P energy: -110.856 bonds (distance) P-C4' energy: -112.390 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -69.718 tors. eta vs tors. theta energy: -60.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -841.123950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.123950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.123950 (E_RNA) where: Base-Base interactions energy: -447.759 where: short stacking energy: -229.914 Base-Backbone interact. energy: -0.881 local terms energy: -392.483402 where: bonds (distance) C4'-P energy: -106.617 bonds (distance) P-C4' energy: -109.526 flat angles C4'-P-C4' energy: -90.306 flat angles P-C4'-P energy: -71.391 tors. eta vs tors. theta energy: -14.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2384.697387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.697387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.697387 (E_RNA) where: Base-Base interactions energy: -1688.656 where: short stacking energy: -685.542 Base-Backbone interact. energy: 0.116 local terms energy: -696.157329 where: bonds (distance) C4'-P energy: -125.115 bonds (distance) P-C4' energy: -115.549 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -188.552 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: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2299.477951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.477951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.477951 (E_RNA) where: Base-Base interactions energy: -1600.407 where: short stacking energy: -680.345 Base-Backbone interact. energy: -3.861 local terms energy: -695.209749 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -124.543 flat angles C4'-P-C4' energy: -156.889 flat angles P-C4'-P energy: -94.605 tors. eta vs tors. theta energy: -193.986 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: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2257.686425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.686425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.686425 (E_RNA) where: Base-Base interactions energy: -1608.107 where: short stacking energy: -677.724 Base-Backbone interact. energy: -1.345 local terms energy: -648.234149 where: bonds (distance) C4'-P energy: -112.161 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -136.255 flat angles P-C4'-P energy: -96.446 tors. eta vs tors. theta energy: -184.390 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2098.986049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.986049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.986049 (E_RNA) where: Base-Base interactions energy: -1493.772 where: short stacking energy: -587.192 Base-Backbone interact. energy: -3.289 local terms energy: -601.925522 where: bonds (distance) C4'-P energy: -112.936 bonds (distance) P-C4' energy: -126.484 flat angles C4'-P-C4' energy: -132.649 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -150.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1952.475672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.475672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.475672 (E_RNA) where: Base-Base interactions energy: -1331.086 where: short stacking energy: -556.900 Base-Backbone interact. energy: -1.631 local terms energy: -619.758605 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -119.887 flat angles C4'-P-C4' energy: -144.502 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -146.745 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: 6, replica: 3 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1801.265573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.265573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.265573 (E_RNA) where: Base-Base interactions energy: -1237.659 where: short stacking energy: -519.007 Base-Backbone interact. energy: 1.800 local terms energy: -565.406139 where: bonds (distance) C4'-P energy: -113.235 bonds (distance) P-C4' energy: -108.806 flat angles C4'-P-C4' energy: -122.756 flat angles P-C4'-P energy: -80.251 tors. eta vs tors. theta energy: -140.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1793.973349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.973349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.973349 (E_RNA) where: Base-Base interactions energy: -1236.989 where: short stacking energy: -540.564 Base-Backbone interact. energy: -3.416 local terms energy: -553.568163 where: bonds (distance) C4'-P energy: -99.829 bonds (distance) P-C4' energy: -95.855 flat angles C4'-P-C4' energy: -134.535 flat angles P-C4'-P energy: -78.755 tors. eta vs tors. theta energy: -144.594 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: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1469.057747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.057747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.057747 (E_RNA) where: Base-Base interactions energy: -1013.104 where: short stacking energy: -437.195 Base-Backbone interact. energy: -1.337 local terms energy: -454.617124 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -107.874 flat angles C4'-P-C4' energy: -88.892 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -99.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1275.846774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.846774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.846774 (E_RNA) where: Base-Base interactions energy: -862.246 where: short stacking energy: -369.495 Base-Backbone interact. energy: -4.340 local terms energy: -409.260578 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -103.225 flat angles C4'-P-C4' energy: -93.968 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -68.330 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: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -926.900650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.900650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.900650 (E_RNA) where: Base-Base interactions energy: -550.712 where: short stacking energy: -274.713 Base-Backbone interact. energy: 1.686 local terms energy: -377.874501 where: bonds (distance) C4'-P energy: -79.889 bonds (distance) P-C4' energy: -110.358 flat angles C4'-P-C4' energy: -104.869 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: -33.247 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: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2430.824250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.824250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.824250 (E_RNA) where: Base-Base interactions energy: -1711.489 where: short stacking energy: -713.526 Base-Backbone interact. energy: -7.217 local terms energy: -712.118511 where: bonds (distance) C4'-P energy: -127.960 bonds (distance) P-C4' energy: -137.246 flat angles C4'-P-C4' energy: -151.477 flat angles P-C4'-P energy: -107.203 tors. eta vs tors. theta energy: -188.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2300.049249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.049249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.049249 (E_RNA) where: Base-Base interactions energy: -1617.962 where: short stacking energy: -697.166 Base-Backbone interact. energy: -1.909 local terms energy: -680.178246 where: bonds (distance) C4'-P energy: -129.283 bonds (distance) P-C4' energy: -112.786 flat angles C4'-P-C4' energy: -151.179 flat angles P-C4'-P energy: -100.185 tors. eta vs tors. theta energy: -186.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2278.113273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.113273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.113273 (E_RNA) where: Base-Base interactions energy: -1617.119 where: short stacking energy: -663.053 Base-Backbone interact. energy: -2.868 local terms energy: -658.125821 where: bonds (distance) C4'-P energy: -125.627 bonds (distance) P-C4' energy: -116.649 flat angles C4'-P-C4' energy: -132.484 flat angles P-C4'-P energy: -96.914 tors. eta vs tors. theta energy: -186.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2045.005552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.005552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.005552 (E_RNA) where: Base-Base interactions energy: -1436.798 where: short stacking energy: -576.679 Base-Backbone interact. energy: 0.980 local terms energy: -609.187038 where: bonds (distance) C4'-P energy: -126.327 bonds (distance) P-C4' energy: -120.734 flat angles C4'-P-C4' energy: -132.381 flat angles P-C4'-P energy: -84.993 tors. eta vs tors. theta energy: -144.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1967.814546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.814546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.814546 (E_RNA) where: Base-Base interactions energy: -1395.822 where: short stacking energy: -588.095 Base-Backbone interact. energy: -3.797 local terms energy: -568.195782 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -106.150 flat angles C4'-P-C4' energy: -128.395 flat angles P-C4'-P energy: -88.165 tors. eta vs tors. theta energy: -143.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1747.663628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.663628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.663628 (E_RNA) where: Base-Base interactions energy: -1182.800 where: short stacking energy: -517.986 Base-Backbone interact. energy: 3.011 local terms energy: -567.873793 where: bonds (distance) C4'-P energy: -115.663 bonds (distance) P-C4' energy: -114.381 flat angles C4'-P-C4' energy: -134.386 flat angles P-C4'-P energy: -77.192 tors. eta vs tors. theta energy: -126.253 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: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1794.921049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.921049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.921049 (E_RNA) where: Base-Base interactions energy: -1247.407 where: short stacking energy: -522.082 Base-Backbone interact. energy: -1.927 local terms energy: -545.587278 where: bonds (distance) C4'-P energy: -85.253 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -130.721 flat angles P-C4'-P energy: -78.872 tors. eta vs tors. theta energy: -132.640 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: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1494.769025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.769025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.769025 (E_RNA) where: Base-Base interactions energy: -969.448 where: short stacking energy: -424.520 Base-Backbone interact. energy: -2.432 local terms energy: -522.888881 where: bonds (distance) C4'-P energy: -102.885 bonds (distance) P-C4' energy: -120.945 flat angles C4'-P-C4' energy: -125.855 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: -102.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1234.477346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.477346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.477346 (E_RNA) where: Base-Base interactions energy: -802.148 where: short stacking energy: -366.725 Base-Backbone interact. energy: -2.804 local terms energy: -429.525578 where: bonds (distance) C4'-P energy: -99.798 bonds (distance) P-C4' energy: -118.948 flat angles C4'-P-C4' energy: -102.756 flat angles P-C4'-P energy: -46.682 tors. eta vs tors. theta energy: -61.343 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: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -896.649092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.649092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.649092 (E_RNA) where: Base-Base interactions energy: -516.382 where: short stacking energy: -270.304 Base-Backbone interact. energy: 2.318 local terms energy: -382.585533 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -120.253 flat angles P-C4'-P energy: -50.509 tors. eta vs tors. theta energy: -26.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2431.054722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.054722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.054722 (E_RNA) where: Base-Base interactions energy: -1728.183 where: short stacking energy: -705.221 Base-Backbone interact. energy: -0.282 local terms energy: -702.590098 where: bonds (distance) C4'-P energy: -120.070 bonds (distance) P-C4' energy: -142.530 flat angles C4'-P-C4' energy: -155.974 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -189.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2320.836253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.836253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.836253 (E_RNA) where: Base-Base interactions energy: -1619.677 where: short stacking energy: -683.708 Base-Backbone interact. energy: -4.620 local terms energy: -696.539598 where: bonds (distance) C4'-P energy: -115.103 bonds (distance) P-C4' energy: -127.893 flat angles C4'-P-C4' energy: -151.385 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -200.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2263.737966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.737966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.737966 (E_RNA) where: Base-Base interactions energy: -1578.867 where: short stacking energy: -667.666 Base-Backbone interact. energy: -3.496 local terms energy: -681.374758 where: bonds (distance) C4'-P energy: -120.344 bonds (distance) P-C4' energy: -122.944 flat angles C4'-P-C4' energy: -145.061 flat angles P-C4'-P energy: -97.225 tors. eta vs tors. theta energy: -195.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2122.471653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.471653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.471653 (E_RNA) where: Base-Base interactions energy: -1496.039 where: short stacking energy: -609.104 Base-Backbone interact. energy: -1.810 local terms energy: -624.622519 where: bonds (distance) C4'-P energy: -101.404 bonds (distance) P-C4' energy: -123.114 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -84.068 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: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1979.402762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.402762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.402762 (E_RNA) where: Base-Base interactions energy: -1364.206 where: short stacking energy: -586.005 Base-Backbone interact. energy: -1.908 local terms energy: -613.288418 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -132.724 flat angles P-C4'-P energy: -105.303 tors. eta vs tors. theta energy: -150.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1790.029364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.029364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.029364 (E_RNA) where: Base-Base interactions energy: -1266.047 where: short stacking energy: -544.512 Base-Backbone interact. energy: -2.386 local terms energy: -521.596654 where: bonds (distance) C4'-P energy: -99.794 bonds (distance) P-C4' energy: -89.344 flat angles C4'-P-C4' energy: -136.634 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -127.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1781.040388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.040388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.040388 (E_RNA) where: Base-Base interactions energy: -1189.109 where: short stacking energy: -515.407 Base-Backbone interact. energy: -3.198 local terms energy: -588.732918 where: bonds (distance) C4'-P energy: -104.207 bonds (distance) P-C4' energy: -120.388 flat angles C4'-P-C4' energy: -125.643 flat angles P-C4'-P energy: -95.578 tors. eta vs tors. theta energy: -142.917 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: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1518.100549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.100549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.100549 (E_RNA) where: Base-Base interactions energy: -1015.621 where: short stacking energy: -450.147 Base-Backbone interact. energy: -0.525 local terms energy: -501.954361 where: bonds (distance) C4'-P energy: -96.269 bonds (distance) P-C4' energy: -103.289 flat angles C4'-P-C4' energy: -126.322 flat angles P-C4'-P energy: -79.609 tors. eta vs tors. theta energy: -96.465 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: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1278.406402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.406402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.406402 (E_RNA) where: Base-Base interactions energy: -828.519 where: short stacking energy: -365.714 Base-Backbone interact. energy: -1.834 local terms energy: -448.054251 where: bonds (distance) C4'-P energy: -114.686 bonds (distance) P-C4' energy: -100.054 flat angles C4'-P-C4' energy: -98.537 flat angles P-C4'-P energy: -59.033 tors. eta vs tors. theta energy: -75.744 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: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -931.653480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.653480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.653480 (E_RNA) where: Base-Base interactions energy: -530.369 where: short stacking energy: -262.581 Base-Backbone interact. energy: -4.118 local terms energy: -397.166068 where: bonds (distance) C4'-P energy: -102.158 bonds (distance) P-C4' energy: -93.875 flat angles C4'-P-C4' energy: -97.673 flat angles P-C4'-P energy: -70.818 tors. eta vs tors. theta energy: -32.641 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: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2448.008684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.008684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.008684 (E_RNA) where: Base-Base interactions energy: -1729.782 where: short stacking energy: -724.534 Base-Backbone interact. energy: -3.449 local terms energy: -714.777262 where: bonds (distance) C4'-P energy: -142.278 bonds (distance) P-C4' energy: -124.077 flat angles C4'-P-C4' energy: -157.597 flat angles P-C4'-P energy: -98.222 tors. eta vs tors. theta energy: -192.603 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: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2288.508060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.508060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.508060 (E_RNA) where: Base-Base interactions energy: -1591.167 where: short stacking energy: -671.374 Base-Backbone interact. energy: -0.206 local terms energy: -697.135001 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -145.179 flat angles C4'-P-C4' energy: -142.387 flat angles P-C4'-P energy: -88.507 tors. eta vs tors. theta energy: -186.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2245.593386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.593386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.593386 (E_RNA) where: Base-Base interactions energy: -1563.806 where: short stacking energy: -669.210 Base-Backbone interact. energy: -1.654 local terms energy: -680.133767 where: bonds (distance) C4'-P energy: -115.610 bonds (distance) P-C4' energy: -123.528 flat angles C4'-P-C4' energy: -150.844 flat angles P-C4'-P energy: -100.746 tors. eta vs tors. theta energy: -189.405 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: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2158.898529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.898529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.898529 (E_RNA) where: Base-Base interactions energy: -1523.448 where: short stacking energy: -630.380 Base-Backbone interact. energy: -1.908 local terms energy: -633.543083 where: bonds (distance) C4'-P energy: -105.851 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -141.760 flat angles P-C4'-P energy: -81.393 tors. eta vs tors. theta energy: -174.322 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: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2020.462441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.462441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.462441 (E_RNA) where: Base-Base interactions energy: -1402.257 where: short stacking energy: -593.879 Base-Backbone interact. energy: -2.360 local terms energy: -615.845789 where: bonds (distance) C4'-P energy: -103.909 bonds (distance) P-C4' energy: -116.249 flat angles C4'-P-C4' energy: -133.824 flat angles P-C4'-P energy: -97.991 tors. eta vs tors. theta energy: -163.873 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: 6, replica: 3 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1763.388029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.388029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.388029 (E_RNA) where: Base-Base interactions energy: -1207.825 where: short stacking energy: -538.461 Base-Backbone interact. energy: 1.408 local terms energy: -556.971250 where: bonds (distance) C4'-P energy: -120.651 bonds (distance) P-C4' energy: -102.705 flat angles C4'-P-C4' energy: -128.963 flat angles P-C4'-P energy: -78.804 tors. eta vs tors. theta energy: -125.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1809.269426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.269426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.269426 (E_RNA) where: Base-Base interactions energy: -1233.510 where: short stacking energy: -528.094 Base-Backbone interact. energy: -3.102 local terms energy: -572.657667 where: bonds (distance) C4'-P energy: -108.453 bonds (distance) P-C4' energy: -130.860 flat angles C4'-P-C4' energy: -121.073 flat angles P-C4'-P energy: -81.008 tors. eta vs tors. theta energy: -131.264 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: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1494.730259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.730259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.730259 (E_RNA) where: Base-Base interactions energy: -993.145 where: short stacking energy: -427.059 Base-Backbone interact. energy: -0.110 local terms energy: -501.475621 where: bonds (distance) C4'-P energy: -111.785 bonds (distance) P-C4' energy: -109.180 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -94.647 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: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1213.224654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.224654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.224654 (E_RNA) where: Base-Base interactions energy: -767.437 where: short stacking energy: -358.306 Base-Backbone interact. energy: -2.678 local terms energy: -443.109248 where: bonds (distance) C4'-P energy: -119.202 bonds (distance) P-C4' energy: -99.270 flat angles C4'-P-C4' energy: -96.941 flat angles P-C4'-P energy: -69.292 tors. eta vs tors. theta energy: -58.404 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: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -851.465939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.465939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.465939 (E_RNA) where: Base-Base interactions energy: -451.489 where: short stacking energy: -241.357 Base-Backbone interact. energy: 1.003 local terms energy: -400.980012 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -124.702 flat angles C4'-P-C4' energy: -82.391 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2442.774776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.774776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.774776 (E_RNA) where: Base-Base interactions energy: -1735.388 where: short stacking energy: -691.886 Base-Backbone interact. energy: -5.315 local terms energy: -702.072617 where: bonds (distance) C4'-P energy: -140.857 bonds (distance) P-C4' energy: -128.213 flat angles C4'-P-C4' energy: -145.184 flat angles P-C4'-P energy: -109.652 tors. eta vs tors. theta energy: -178.166 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: 2, replica: 9 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2305.321246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.321246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.321246 (E_RNA) where: Base-Base interactions energy: -1601.625 where: short stacking energy: -694.272 Base-Backbone interact. energy: -3.602 local terms energy: -700.093963 where: bonds (distance) C4'-P energy: -119.660 bonds (distance) P-C4' energy: -133.481 flat angles C4'-P-C4' energy: -158.123 flat angles P-C4'-P energy: -100.464 tors. eta vs tors. theta energy: -188.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2257.260666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.260666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.260666 (E_RNA) where: Base-Base interactions energy: -1598.682 where: short stacking energy: -655.199 Base-Backbone interact. energy: -2.026 local terms energy: -656.552336 where: bonds (distance) C4'-P energy: -100.803 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -147.766 flat angles P-C4'-P energy: -95.523 tors. eta vs tors. theta energy: -192.228 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: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2149.390462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.390462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.390462 (E_RNA) where: Base-Base interactions energy: -1509.631 where: short stacking energy: -605.987 Base-Backbone interact. energy: -1.481 local terms energy: -638.278259 where: bonds (distance) C4'-P energy: -121.932 bonds (distance) P-C4' energy: -119.696 flat angles C4'-P-C4' energy: -140.802 flat angles P-C4'-P energy: -82.226 tors. eta vs tors. theta energy: -173.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2022.072090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.072090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.072090 (E_RNA) where: Base-Base interactions energy: -1425.856 where: short stacking energy: -596.985 Base-Backbone interact. energy: -5.261 local terms energy: -590.955577 where: bonds (distance) C4'-P energy: -99.198 bonds (distance) P-C4' energy: -117.394 flat angles C4'-P-C4' energy: -133.096 flat angles P-C4'-P energy: -81.951 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: 6, replica: 8 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1895.834818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.834818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.834818 (E_RNA) where: Base-Base interactions energy: -1330.348 where: short stacking energy: -586.152 Base-Backbone interact. energy: 3.509 local terms energy: -568.995653 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -118.543 flat angles C4'-P-C4' energy: -122.039 flat angles P-C4'-P energy: -80.029 tors. eta vs tors. theta energy: -154.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1713.109717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.109717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.109717 (E_RNA) where: Base-Base interactions energy: -1173.357 where: short stacking energy: -514.965 Base-Backbone interact. energy: -0.732 local terms energy: -539.020778 where: bonds (distance) C4'-P energy: -112.959 bonds (distance) P-C4' energy: -102.004 flat angles C4'-P-C4' energy: -107.764 flat angles P-C4'-P energy: -80.053 tors. eta vs tors. theta energy: -136.241 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: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1547.266767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.266767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.266767 (E_RNA) where: Base-Base interactions energy: -1042.864 where: short stacking energy: -440.035 Base-Backbone interact. energy: -0.807 local terms energy: -503.596277 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -111.173 flat angles C4'-P-C4' energy: -119.260 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -101.895 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: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1180.897116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.897116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.897116 (E_RNA) where: Base-Base interactions energy: -751.675 where: short stacking energy: -345.218 Base-Backbone interact. energy: 1.858 local terms energy: -431.080364 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -92.383 flat angles C4'-P-C4' energy: -104.773 flat angles P-C4'-P energy: -69.122 tors. eta vs tors. theta energy: -52.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -850.060967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.060967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.060967 (E_RNA) where: Base-Base interactions energy: -487.205 where: short stacking energy: -257.207 Base-Backbone interact. energy: -1.066 local terms energy: -361.790242 where: bonds (distance) C4'-P energy: -99.572 bonds (distance) P-C4' energy: -95.037 flat angles C4'-P-C4' energy: -89.091 flat angles P-C4'-P energy: -54.285 tors. eta vs tors. theta energy: -23.806 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: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2413.458924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.458924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.458924 (E_RNA) where: Base-Base interactions energy: -1722.725 where: short stacking energy: -688.795 Base-Backbone interact. energy: -2.727 local terms energy: -688.006768 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -135.165 flat angles C4'-P-C4' energy: -149.881 flat angles P-C4'-P energy: -95.173 tors. eta vs tors. theta energy: -180.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2286.864533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.864533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.864533 (E_RNA) where: Base-Base interactions energy: -1606.782 where: short stacking energy: -679.420 Base-Backbone interact. energy: -3.571 local terms energy: -676.511409 where: bonds (distance) C4'-P energy: -126.199 bonds (distance) P-C4' energy: -119.197 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -92.077 tors. eta vs tors. theta energy: -194.014 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: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2250.039809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.039809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.039809 (E_RNA) where: Base-Base interactions energy: -1579.024 where: short stacking energy: -635.309 Base-Backbone interact. energy: -0.744 local terms energy: -670.271154 where: bonds (distance) C4'-P energy: -109.531 bonds (distance) P-C4' energy: -130.531 flat angles C4'-P-C4' energy: -144.339 flat angles P-C4'-P energy: -96.024 tors. eta vs tors. theta energy: -189.846 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: 4, replica: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2133.915276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.915276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.915276 (E_RNA) where: Base-Base interactions energy: -1501.819 where: short stacking energy: -613.817 Base-Backbone interact. energy: 0.173 local terms energy: -632.269906 where: bonds (distance) C4'-P energy: -111.342 bonds (distance) P-C4' energy: -119.091 flat angles C4'-P-C4' energy: -137.394 flat angles P-C4'-P energy: -96.285 tors. eta vs tors. theta energy: -168.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2018.176431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.176431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.176431 (E_RNA) where: Base-Base interactions energy: -1408.321 where: short stacking energy: -622.224 Base-Backbone interact. energy: -0.118 local terms energy: -609.737310 where: bonds (distance) C4'-P energy: -105.562 bonds (distance) P-C4' energy: -128.294 flat angles C4'-P-C4' energy: -141.866 flat angles P-C4'-P energy: -80.469 tors. eta vs tors. theta energy: -153.545 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: 294 Temperature: 1.150000 Total energy: -1924.516787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.516787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.516787 (E_RNA) where: Base-Base interactions energy: -1352.942 where: short stacking energy: -605.112 Base-Backbone interact. energy: -1.935 local terms energy: -569.639698 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -116.231 flat angles C4'-P-C4' energy: -127.238 flat angles P-C4'-P energy: -81.706 tors. eta vs tors. theta energy: -141.034 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: 294 Temperature: 1.200000 Total energy: -1692.911703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.911703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.911703 (E_RNA) where: Base-Base interactions energy: -1163.301 where: short stacking energy: -494.834 Base-Backbone interact. energy: -3.158 local terms energy: -526.453099 where: bonds (distance) C4'-P energy: -106.211 bonds (distance) P-C4' energy: -111.573 flat angles C4'-P-C4' energy: -119.202 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -117.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1583.856863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.856863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.856863 (E_RNA) where: Base-Base interactions energy: -1067.573 where: short stacking energy: -461.816 Base-Backbone interact. energy: 5.283 local terms energy: -521.566657 where: bonds (distance) C4'-P energy: -112.515 bonds (distance) P-C4' energy: -109.001 flat angles C4'-P-C4' energy: -102.120 flat angles P-C4'-P energy: -81.137 tors. eta vs tors. theta energy: -116.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1190.175147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.175147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.175147 (E_RNA) where: Base-Base interactions energy: -733.221 where: short stacking energy: -334.392 Base-Backbone interact. energy: 2.978 local terms energy: -459.932426 where: bonds (distance) C4'-P energy: -104.101 bonds (distance) P-C4' energy: -125.277 flat angles C4'-P-C4' energy: -109.124 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: -55.265 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: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -838.983710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.983710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.983710 (E_RNA) where: Base-Base interactions energy: -481.393 where: short stacking energy: -250.163 Base-Backbone interact. energy: 11.473 local terms energy: -369.062910 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -94.721 flat angles C4'-P-C4' energy: -101.581 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -20.619 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: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2425.826713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.826713 (E_RNA) where: Base-Base interactions energy: -1714.514 where: short stacking energy: -690.038 Base-Backbone interact. energy: -3.812 local terms energy: -707.500777 where: bonds (distance) C4'-P energy: -135.393 bonds (distance) P-C4' energy: -136.183 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -106.638 tors. eta vs tors. theta energy: -176.582 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: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2311.141902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.141902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.141902 (E_RNA) where: Base-Base interactions energy: -1612.768 where: short stacking energy: -690.974 Base-Backbone interact. energy: -2.848 local terms energy: -695.525448 where: bonds (distance) C4'-P energy: -139.297 bonds (distance) P-C4' energy: -120.372 flat angles C4'-P-C4' energy: -147.988 flat angles P-C4'-P energy: -97.731 tors. eta vs tors. theta energy: -190.138 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: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2254.152830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.152830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.152830 (E_RNA) where: Base-Base interactions energy: -1569.192 where: short stacking energy: -666.970 Base-Backbone interact. energy: -2.904 local terms energy: -682.056937 where: bonds (distance) C4'-P energy: -126.672 bonds (distance) P-C4' energy: -128.825 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -99.712 tors. eta vs tors. theta energy: -179.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2150.195754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.195754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.195754 (E_RNA) where: Base-Base interactions energy: -1531.527 where: short stacking energy: -610.508 Base-Backbone interact. energy: -2.387 local terms energy: -616.281821 where: bonds (distance) C4'-P energy: -114.454 bonds (distance) P-C4' energy: -113.660 flat angles C4'-P-C4' energy: -148.726 flat angles P-C4'-P energy: -87.681 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: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2019.883663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.883663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.883663 (E_RNA) where: Base-Base interactions energy: -1398.204 where: short stacking energy: -616.181 Base-Backbone interact. energy: 0.872 local terms energy: -622.551401 where: bonds (distance) C4'-P energy: -120.032 bonds (distance) P-C4' energy: -118.910 flat angles C4'-P-C4' energy: -140.269 flat angles P-C4'-P energy: -88.792 tors. eta vs tors. theta energy: -154.548 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: 6, replica: 8 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1910.531030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.531030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.531030 (E_RNA) where: Base-Base interactions energy: -1319.022 where: short stacking energy: -557.235 Base-Backbone interact. energy: -1.126 local terms energy: -590.383392 where: bonds (distance) C4'-P energy: -119.959 bonds (distance) P-C4' energy: -109.239 flat angles C4'-P-C4' energy: -133.711 flat angles P-C4'-P energy: -74.354 tors. eta vs tors. theta energy: -153.120 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: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1652.167980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.167980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.167980 (E_RNA) where: Base-Base interactions energy: -1148.415 where: short stacking energy: -498.914 Base-Backbone interact. energy: -2.957 local terms energy: -500.796606 where: bonds (distance) C4'-P energy: -105.930 bonds (distance) P-C4' energy: -94.087 flat angles C4'-P-C4' energy: -120.029 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -102.030 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: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1572.288064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.288064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.288064 (E_RNA) where: Base-Base interactions energy: -1072.377 where: short stacking energy: -480.020 Base-Backbone interact. energy: -2.667 local terms energy: -497.243761 where: bonds (distance) C4'-P energy: -93.662 bonds (distance) P-C4' energy: -118.030 flat angles C4'-P-C4' energy: -109.502 flat angles P-C4'-P energy: -69.108 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1347.859252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.859252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.859252 (E_RNA) where: Base-Base interactions energy: -879.472 where: short stacking energy: -359.529 Base-Backbone interact. energy: 5.471 local terms energy: -473.857434 where: bonds (distance) C4'-P energy: -110.447 bonds (distance) P-C4' energy: -121.470 flat angles C4'-P-C4' energy: -106.363 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -65.001 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: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -868.083273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.083273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.083273 (E_RNA) where: Base-Base interactions energy: -495.049 where: short stacking energy: -234.132 Base-Backbone interact. energy: -1.998 local terms energy: -371.035768 where: bonds (distance) C4'-P energy: -110.792 bonds (distance) P-C4' energy: -110.329 flat angles C4'-P-C4' energy: -93.813 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2409.368720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.368720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.368720 (E_RNA) where: Base-Base interactions energy: -1723.831 where: short stacking energy: -704.621 Base-Backbone interact. energy: -0.881 local terms energy: -684.657605 where: bonds (distance) C4'-P energy: -110.971 bonds (distance) P-C4' energy: -143.710 flat angles C4'-P-C4' energy: -148.410 flat angles P-C4'-P energy: -101.426 tors. eta vs tors. theta energy: -180.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2315.673525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.673525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.673525 (E_RNA) where: Base-Base interactions energy: -1619.341 where: short stacking energy: -662.344 Base-Backbone interact. energy: -0.669 local terms energy: -695.663894 where: bonds (distance) C4'-P energy: -137.292 bonds (distance) P-C4' energy: -126.227 flat angles C4'-P-C4' energy: -142.932 flat angles P-C4'-P energy: -95.295 tors. eta vs tors. theta energy: -193.919 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: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2246.891180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.891180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.891180 (E_RNA) where: Base-Base interactions energy: -1594.720 where: short stacking energy: -657.748 Base-Backbone interact. energy: -2.232 local terms energy: -649.939794 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -127.203 flat angles C4'-P-C4' energy: -131.887 flat angles P-C4'-P energy: -83.665 tors. eta vs tors. theta energy: -189.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2168.767677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.767677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.767677 (E_RNA) where: Base-Base interactions energy: -1566.161 where: short stacking energy: -623.046 Base-Backbone interact. energy: 1.398 local terms energy: -604.005087 where: bonds (distance) C4'-P energy: -116.314 bonds (distance) P-C4' energy: -103.740 flat angles C4'-P-C4' energy: -129.959 flat angles P-C4'-P energy: -89.315 tors. eta vs tors. theta energy: -164.678 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: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2022.919741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.919741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.919741 (E_RNA) where: Base-Base interactions energy: -1392.536 where: short stacking energy: -604.778 Base-Backbone interact. energy: -1.783 local terms energy: -628.600075 where: bonds (distance) C4'-P energy: -131.161 bonds (distance) P-C4' energy: -111.220 flat angles C4'-P-C4' energy: -140.416 flat angles P-C4'-P energy: -83.808 tors. eta vs tors. theta energy: -161.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1892.148157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.148157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.148157 (E_RNA) where: Base-Base interactions energy: -1304.252 where: short stacking energy: -574.667 Base-Backbone interact. energy: -1.851 local terms energy: -586.045234 where: bonds (distance) C4'-P energy: -122.237 bonds (distance) P-C4' energy: -108.029 flat angles C4'-P-C4' energy: -127.591 flat angles P-C4'-P energy: -75.788 tors. eta vs tors. theta energy: -152.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1645.730416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.730416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.730416 (E_RNA) where: Base-Base interactions energy: -1139.608 where: short stacking energy: -492.421 Base-Backbone interact. energy: -0.393 local terms energy: -505.729958 where: bonds (distance) C4'-P energy: -93.422 bonds (distance) P-C4' energy: -108.368 flat angles C4'-P-C4' energy: -118.529 flat angles P-C4'-P energy: -81.861 tors. eta vs tors. theta energy: -103.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1564.683009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.683009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.683009 (E_RNA) where: Base-Base interactions energy: -1076.692 where: short stacking energy: -448.569 Base-Backbone interact. energy: 0.963 local terms energy: -488.953640 where: bonds (distance) C4'-P energy: -107.012 bonds (distance) P-C4' energy: -111.405 flat angles C4'-P-C4' energy: -113.647 flat angles P-C4'-P energy: -60.115 tors. eta vs tors. theta energy: -96.775 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: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1314.960456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.960456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.960456 (E_RNA) where: Base-Base interactions energy: -833.757 where: short stacking energy: -352.129 Base-Backbone interact. energy: -0.127 local terms energy: -481.076654 where: bonds (distance) C4'-P energy: -105.212 bonds (distance) P-C4' energy: -124.151 flat angles C4'-P-C4' energy: -124.274 flat angles P-C4'-P energy: -54.745 tors. eta vs tors. theta energy: -72.695 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: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -779.872195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.872195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.872195 (E_RNA) where: Base-Base interactions energy: -425.476 where: short stacking energy: -225.716 Base-Backbone interact. energy: -1.477 local terms energy: -352.919331 where: bonds (distance) C4'-P energy: -109.695 bonds (distance) P-C4' energy: -101.177 flat angles C4'-P-C4' energy: -83.659 flat angles P-C4'-P energy: -57.432 tors. eta vs tors. theta energy: -0.956 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: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2424.387716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.387716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.387716 (E_RNA) where: Base-Base interactions energy: -1746.196 where: short stacking energy: -711.528 Base-Backbone interact. energy: -1.768 local terms energy: -676.424140 where: bonds (distance) C4'-P energy: -121.866 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -149.256 flat angles P-C4'-P energy: -95.178 tors. eta vs tors. theta energy: -176.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2299.272815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.272815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.272815 (E_RNA) where: Base-Base interactions energy: -1623.066 where: short stacking energy: -654.360 Base-Backbone interact. energy: -5.363 local terms energy: -670.842970 where: bonds (distance) C4'-P energy: -107.240 bonds (distance) P-C4' energy: -125.997 flat angles C4'-P-C4' energy: -149.390 flat angles P-C4'-P energy: -101.936 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: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2299.202002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.202002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.202002 (E_RNA) where: Base-Base interactions energy: -1625.256 where: short stacking energy: -665.959 Base-Backbone interact. energy: -3.381 local terms energy: -670.564409 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -123.712 flat angles C4'-P-C4' energy: -149.420 flat angles P-C4'-P energy: -88.002 tors. eta vs tors. theta energy: -190.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2144.636153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.636153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.636153 (E_RNA) where: Base-Base interactions energy: -1510.831 where: short stacking energy: -620.934 Base-Backbone interact. energy: -2.662 local terms energy: -631.143821 where: bonds (distance) C4'-P energy: -116.975 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -130.027 flat angles P-C4'-P energy: -87.235 tors. eta vs tors. theta energy: -169.613 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: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2014.287738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.287738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.287738 (E_RNA) where: Base-Base interactions energy: -1409.297 where: short stacking energy: -575.828 Base-Backbone interact. energy: -3.088 local terms energy: -601.903462 where: bonds (distance) C4'-P energy: -115.205 bonds (distance) P-C4' energy: -116.311 flat angles C4'-P-C4' energy: -141.225 flat angles P-C4'-P energy: -74.940 tors. eta vs tors. theta energy: -154.221 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: 6, replica: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1966.157328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.157328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.157328 (E_RNA) where: Base-Base interactions energy: -1357.266 where: short stacking energy: -592.606 Base-Backbone interact. energy: -2.266 local terms energy: -606.625212 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -128.339 flat angles C4'-P-C4' energy: -127.006 flat angles P-C4'-P energy: -83.485 tors. eta vs tors. theta energy: -168.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1727.739205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.739205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.739205 (E_RNA) where: Base-Base interactions energy: -1216.671 where: short stacking energy: -504.249 Base-Backbone interact. energy: -1.772 local terms energy: -509.296356 where: bonds (distance) C4'-P energy: -112.519 bonds (distance) P-C4' energy: -112.747 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -52.126 tors. eta vs tors. theta energy: -115.229 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: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1546.116765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.116765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.116765 (E_RNA) where: Base-Base interactions energy: -1026.707 where: short stacking energy: -457.614 Base-Backbone interact. energy: -0.881 local terms energy: -518.528625 where: bonds (distance) C4'-P energy: -111.993 bonds (distance) P-C4' energy: -113.810 flat angles C4'-P-C4' energy: -124.426 flat angles P-C4'-P energy: -57.720 tors. eta vs tors. theta energy: -110.579 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: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1329.593616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.593616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.593616 (E_RNA) where: Base-Base interactions energy: -866.783 where: short stacking energy: -377.742 Base-Backbone interact. energy: -0.675 local terms energy: -462.136245 where: bonds (distance) C4'-P energy: -95.904 bonds (distance) P-C4' energy: -106.255 flat angles C4'-P-C4' energy: -109.238 flat angles P-C4'-P energy: -69.620 tors. eta vs tors. theta energy: -81.120 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: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -824.158491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.158491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.158491 (E_RNA) where: Base-Base interactions energy: -465.381 where: short stacking energy: -252.589 Base-Backbone interact. energy: 3.903 local terms energy: -362.680922 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -98.404 flat angles C4'-P-C4' energy: -81.034 flat angles P-C4'-P energy: -47.745 tors. eta vs tors. theta energy: -16.725 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: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2409.386750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.386750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.386750 (E_RNA) where: Base-Base interactions energy: -1715.986 where: short stacking energy: -722.700 Base-Backbone interact. energy: -2.270 local terms energy: -691.130541 where: bonds (distance) C4'-P energy: -143.291 bonds (distance) P-C4' energy: -137.043 flat angles C4'-P-C4' energy: -142.310 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -181.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2300.946607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.946607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.946607 (E_RNA) where: Base-Base interactions energy: -1625.484 where: short stacking energy: -656.225 Base-Backbone interact. energy: -5.788 local terms energy: -669.674982 where: bonds (distance) C4'-P energy: -131.306 bonds (distance) P-C4' energy: -127.967 flat angles C4'-P-C4' energy: -135.774 flat angles P-C4'-P energy: -89.786 tors. eta vs tors. theta energy: -184.842 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: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2281.380516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.380516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.380516 (E_RNA) where: Base-Base interactions energy: -1627.076 where: short stacking energy: -682.587 Base-Backbone interact. energy: 0.659 local terms energy: -654.964004 where: bonds (distance) C4'-P energy: -116.619 bonds (distance) P-C4' energy: -130.457 flat angles C4'-P-C4' energy: -137.782 flat angles P-C4'-P energy: -92.921 tors. eta vs tors. theta energy: -177.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2135.022815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.022815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.022815 (E_RNA) where: Base-Base interactions energy: -1496.403 where: short stacking energy: -630.250 Base-Backbone interact. energy: -1.152 local terms energy: -637.467694 where: bonds (distance) C4'-P energy: -109.522 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -133.764 flat angles P-C4'-P energy: -97.788 tors. eta vs tors. theta energy: -171.316 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: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2034.007674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.007674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.007674 (E_RNA) where: Base-Base interactions energy: -1418.890 where: short stacking energy: -609.359 Base-Backbone interact. energy: 2.070 local terms energy: -617.188010 where: bonds (distance) C4'-P energy: -118.057 bonds (distance) P-C4' energy: -126.685 flat angles C4'-P-C4' energy: -129.221 flat angles P-C4'-P energy: -89.657 tors. eta vs tors. theta energy: -153.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1961.097271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.097271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.097271 (E_RNA) where: Base-Base interactions energy: -1336.132 where: short stacking energy: -581.238 Base-Backbone interact. energy: -6.360 local terms energy: -618.605315 where: bonds (distance) C4'-P energy: -110.218 bonds (distance) P-C4' energy: -130.026 flat angles C4'-P-C4' energy: -135.371 flat angles P-C4'-P energy: -82.662 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: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1720.817638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.817638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.817638 (E_RNA) where: Base-Base interactions energy: -1179.783 where: short stacking energy: -489.346 Base-Backbone interact. energy: 9.695 local terms energy: -550.729703 where: bonds (distance) C4'-P energy: -113.566 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -126.789 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -101.582 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: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1496.127353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.127353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.127353 (E_RNA) where: Base-Base interactions energy: -999.458 where: short stacking energy: -444.489 Base-Backbone interact. energy: -1.345 local terms energy: -495.324565 where: bonds (distance) C4'-P energy: -110.009 bonds (distance) P-C4' energy: -98.266 flat angles C4'-P-C4' energy: -124.503 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -98.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1263.079148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.079148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.079148 (E_RNA) where: Base-Base interactions energy: -829.263 where: short stacking energy: -356.683 Base-Backbone interact. energy: -2.530 local terms energy: -431.287067 where: bonds (distance) C4'-P energy: -89.394 bonds (distance) P-C4' energy: -103.419 flat angles C4'-P-C4' energy: -116.056 flat angles P-C4'-P energy: -59.285 tors. eta vs tors. theta energy: -63.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -760.666411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.666411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.666411 (E_RNA) where: Base-Base interactions energy: -372.017 where: short stacking energy: -206.069 Base-Backbone interact. energy: 4.085 local terms energy: -392.734150 where: bonds (distance) C4'-P energy: -122.506 bonds (distance) P-C4' energy: -113.957 flat angles C4'-P-C4' energy: -101.743 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2400.340916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.340916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.340916 (E_RNA) where: Base-Base interactions energy: -1690.892 where: short stacking energy: -689.967 Base-Backbone interact. energy: -4.255 local terms energy: -705.193584 where: bonds (distance) C4'-P energy: -129.432 bonds (distance) P-C4' energy: -136.500 flat angles C4'-P-C4' energy: -159.745 flat angles P-C4'-P energy: -110.558 tors. eta vs tors. theta energy: -168.959 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: 9 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2314.758754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.758754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.758754 (E_RNA) where: Base-Base interactions energy: -1651.495 where: short stacking energy: -675.802 Base-Backbone interact. energy: -0.421 local terms energy: -662.842429 where: bonds (distance) C4'-P energy: -116.644 bonds (distance) P-C4' energy: -122.639 flat angles C4'-P-C4' energy: -146.847 flat angles P-C4'-P energy: -91.151 tors. eta vs tors. theta energy: -185.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2225.789124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.789124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.789124 (E_RNA) where: Base-Base interactions energy: -1580.443 where: short stacking energy: -660.151 Base-Backbone interact. energy: -0.871 local terms energy: -644.475239 where: bonds (distance) C4'-P energy: -139.089 bonds (distance) P-C4' energy: -121.551 flat angles C4'-P-C4' energy: -130.871 flat angles P-C4'-P energy: -82.045 tors. eta vs tors. theta energy: -170.919 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: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2122.181791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.181791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.181791 (E_RNA) where: Base-Base interactions energy: -1495.374 where: short stacking energy: -627.102 Base-Backbone interact. energy: -2.227 local terms energy: -624.580085 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -130.420 flat angles C4'-P-C4' energy: -134.458 flat angles P-C4'-P energy: -79.485 tors. eta vs tors. theta energy: -168.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2011.263856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.263856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.263856 (E_RNA) where: Base-Base interactions energy: -1396.168 where: short stacking energy: -576.598 Base-Backbone interact. energy: 1.881 local terms energy: -616.976599 where: bonds (distance) C4'-P energy: -127.060 bonds (distance) P-C4' energy: -114.713 flat angles C4'-P-C4' energy: -127.736 flat angles P-C4'-P energy: -94.959 tors. eta vs tors. theta energy: -152.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1924.221833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.221833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.221833 (E_RNA) where: Base-Base interactions energy: -1337.978 where: short stacking energy: -564.756 Base-Backbone interact. energy: 5.519 local terms energy: -591.762602 where: bonds (distance) C4'-P energy: -119.147 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -127.190 flat angles P-C4'-P energy: -69.077 tors. eta vs tors. theta energy: -150.311 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: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1758.224698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.224698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.224698 (E_RNA) where: Base-Base interactions energy: -1198.769 where: short stacking energy: -515.595 Base-Backbone interact. energy: -3.058 local terms energy: -556.397943 where: bonds (distance) C4'-P energy: -101.277 bonds (distance) P-C4' energy: -120.849 flat angles C4'-P-C4' energy: -124.042 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -135.156 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: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1439.509877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.509877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.509877 (E_RNA) where: Base-Base interactions energy: -952.805 where: short stacking energy: -403.967 Base-Backbone interact. energy: 5.592 local terms energy: -492.296800 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -120.040 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1293.562478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.562478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.562478 (E_RNA) where: Base-Base interactions energy: -841.222 where: short stacking energy: -359.110 Base-Backbone interact. energy: 0.464 local terms energy: -452.804722 where: bonds (distance) C4'-P energy: -93.703 bonds (distance) P-C4' energy: -111.849 flat angles C4'-P-C4' energy: -98.879 flat angles P-C4'-P energy: -79.919 tors. eta vs tors. theta energy: -68.455 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: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -743.009933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.009933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.009933 (E_RNA) where: Base-Base interactions energy: -387.604 where: short stacking energy: -222.515 Base-Backbone interact. energy: -1.239 local terms energy: -354.166859 where: bonds (distance) C4'-P energy: -109.702 bonds (distance) P-C4' energy: -84.561 flat angles C4'-P-C4' energy: -93.736 flat angles P-C4'-P energy: -61.269 tors. eta vs tors. theta energy: -4.898 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: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2435.909700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.909700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.909700 (E_RNA) where: Base-Base interactions energy: -1714.267 where: short stacking energy: -699.388 Base-Backbone interact. energy: -2.892 local terms energy: -718.751242 where: bonds (distance) C4'-P energy: -137.913 bonds (distance) P-C4' energy: -134.227 flat angles C4'-P-C4' energy: -155.366 flat angles P-C4'-P energy: -107.567 tors. eta vs tors. theta energy: -183.677 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: 9 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2324.162247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.162247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.162247 (E_RNA) where: Base-Base interactions energy: -1625.111 where: short stacking energy: -693.717 Base-Backbone interact. energy: -0.832 local terms energy: -698.219728 where: bonds (distance) C4'-P energy: -137.332 bonds (distance) P-C4' energy: -146.118 flat angles C4'-P-C4' energy: -146.469 flat angles P-C4'-P energy: -86.575 tors. eta vs tors. theta energy: -181.726 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: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2219.027170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.027170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.027170 (E_RNA) where: Base-Base interactions energy: -1559.246 where: short stacking energy: -655.612 Base-Backbone interact. energy: -3.528 local terms energy: -656.253871 where: bonds (distance) C4'-P energy: -124.633 bonds (distance) P-C4' energy: -125.360 flat angles C4'-P-C4' energy: -138.175 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: -176.806 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: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2202.789768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.789768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.789768 (E_RNA) where: Base-Base interactions energy: -1577.202 where: short stacking energy: -669.127 Base-Backbone interact. energy: -2.440 local terms energy: -623.148160 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -113.683 flat angles C4'-P-C4' energy: -139.834 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -176.180 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: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1995.738833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.738833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.738833 (E_RNA) where: Base-Base interactions energy: -1368.217 where: short stacking energy: -576.833 Base-Backbone interact. energy: -1.820 local terms energy: -625.701769 where: bonds (distance) C4'-P energy: -123.165 bonds (distance) P-C4' energy: -126.338 flat angles C4'-P-C4' energy: -132.794 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -168.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1909.513612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.513612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.513612 (E_RNA) where: Base-Base interactions energy: -1300.932 where: short stacking energy: -572.935 Base-Backbone interact. energy: -2.375 local terms energy: -606.206417 where: bonds (distance) C4'-P energy: -121.140 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -132.174 flat angles P-C4'-P energy: -91.509 tors. eta vs tors. theta energy: -146.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1764.948515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.948515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.948515 (E_RNA) where: Base-Base interactions energy: -1221.633 where: short stacking energy: -511.834 Base-Backbone interact. energy: -1.914 local terms energy: -541.401785 where: bonds (distance) C4'-P energy: -104.271 bonds (distance) P-C4' energy: -112.846 flat angles C4'-P-C4' energy: -127.800 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -120.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1522.053018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.053018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.053018 (E_RNA) where: Base-Base interactions energy: -1006.859 where: short stacking energy: -412.915 Base-Backbone interact. energy: -4.775 local terms energy: -510.418971 where: bonds (distance) C4'-P energy: -106.689 bonds (distance) P-C4' energy: -117.519 flat angles C4'-P-C4' energy: -114.403 flat angles P-C4'-P energy: -84.524 tors. eta vs tors. theta energy: -87.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1283.046024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.046024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.046024 (E_RNA) where: Base-Base interactions energy: -835.402 where: short stacking energy: -359.350 Base-Backbone interact. energy: -0.028 local terms energy: -447.615867 where: bonds (distance) C4'-P energy: -83.019 bonds (distance) P-C4' energy: -131.318 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -71.789 tors. eta vs tors. theta energy: -65.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -758.300543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.300543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.300543 (E_RNA) where: Base-Base interactions energy: -399.359 where: short stacking energy: -263.104 Base-Backbone interact. energy: -1.713 local terms energy: -357.228863 where: bonds (distance) C4'-P energy: -102.509 bonds (distance) P-C4' energy: -90.414 flat angles C4'-P-C4' energy: -91.218 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -16.625 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: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2406.985965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.985965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.985965 (E_RNA) where: Base-Base interactions energy: -1713.411 where: short stacking energy: -701.943 Base-Backbone interact. energy: -4.433 local terms energy: -689.141117 where: bonds (distance) C4'-P energy: -125.943 bonds (distance) P-C4' energy: -136.961 flat angles C4'-P-C4' energy: -136.970 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -179.593 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: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2295.550743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.550743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.550743 (E_RNA) where: Base-Base interactions energy: -1612.706 where: short stacking energy: -649.715 Base-Backbone interact. energy: -3.830 local terms energy: -679.015681 where: bonds (distance) C4'-P energy: -130.745 bonds (distance) P-C4' energy: -122.359 flat angles C4'-P-C4' energy: -155.900 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -181.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2202.232076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.232076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.232076 (E_RNA) where: Base-Base interactions energy: -1569.428 where: short stacking energy: -646.122 Base-Backbone interact. energy: -4.540 local terms energy: -628.263655 where: bonds (distance) C4'-P energy: -118.010 bonds (distance) P-C4' energy: -110.983 flat angles C4'-P-C4' energy: -139.403 flat angles P-C4'-P energy: -87.130 tors. eta vs tors. theta energy: -172.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2198.991777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.991777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.991777 (E_RNA) where: Base-Base interactions energy: -1567.499 where: short stacking energy: -644.793 Base-Backbone interact. energy: -2.314 local terms energy: -629.179121 where: bonds (distance) C4'-P energy: -102.387 bonds (distance) P-C4' energy: -114.769 flat angles C4'-P-C4' energy: -131.682 flat angles P-C4'-P energy: -100.701 tors. eta vs tors. theta energy: -179.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2049.131652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.131652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.131652 (E_RNA) where: Base-Base interactions energy: -1421.433 where: short stacking energy: -600.927 Base-Backbone interact. energy: -1.125 local terms energy: -626.573876 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -90.007 tors. eta vs tors. theta energy: -161.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1980.713301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.713301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.713301 (E_RNA) where: Base-Base interactions energy: -1392.401 where: short stacking energy: -579.936 Base-Backbone interact. energy: -2.166 local terms energy: -586.146536 where: bonds (distance) C4'-P energy: -100.616 bonds (distance) P-C4' energy: -109.482 flat angles C4'-P-C4' energy: -129.265 flat angles P-C4'-P energy: -80.516 tors. eta vs tors. theta energy: -166.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1739.161315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.161315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.161315 (E_RNA) where: Base-Base interactions energy: -1208.018 where: short stacking energy: -504.183 Base-Backbone interact. energy: -1.677 local terms energy: -529.466477 where: bonds (distance) C4'-P energy: -109.521 bonds (distance) P-C4' energy: -103.171 flat angles C4'-P-C4' energy: -128.351 flat angles P-C4'-P energy: -84.903 tors. eta vs tors. theta energy: -103.521 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: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1499.674855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.674855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.674855 (E_RNA) where: Base-Base interactions energy: -1010.010 where: short stacking energy: -449.919 Base-Backbone interact. energy: -3.481 local terms energy: -486.184607 where: bonds (distance) C4'-P energy: -104.773 bonds (distance) P-C4' energy: -121.981 flat angles C4'-P-C4' energy: -103.933 flat angles P-C4'-P energy: -59.975 tors. eta vs tors. theta energy: -95.522 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: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1328.601713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.601713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.601713 (E_RNA) where: Base-Base interactions energy: -880.237 where: short stacking energy: -397.105 Base-Backbone interact. energy: -2.433 local terms energy: -445.932508 where: bonds (distance) C4'-P energy: -105.181 bonds (distance) P-C4' energy: -117.503 flat angles C4'-P-C4' energy: -82.347 flat angles P-C4'-P energy: -50.386 tors. eta vs tors. theta energy: -90.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -770.252595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.252595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.252595 (E_RNA) where: Base-Base interactions energy: -432.467 where: short stacking energy: -240.747 Base-Backbone interact. energy: 4.394 local terms energy: -342.179142 where: bonds (distance) C4'-P energy: -101.714 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -79.157 flat angles P-C4'-P energy: -53.651 tors. eta vs tors. theta energy: -12.513 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: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2421.064323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.064323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.064323 (E_RNA) where: Base-Base interactions energy: -1710.926 where: short stacking energy: -724.570 Base-Backbone interact. energy: -0.088 local terms energy: -710.049758 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -138.365 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -113.631 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: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2313.539897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.539897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.539897 (E_RNA) where: Base-Base interactions energy: -1633.279 where: short stacking energy: -660.790 Base-Backbone interact. energy: -2.153 local terms energy: -678.108458 where: bonds (distance) C4'-P energy: -125.883 bonds (distance) P-C4' energy: -127.436 flat angles C4'-P-C4' energy: -145.222 flat angles P-C4'-P energy: -96.565 tors. eta vs tors. theta energy: -183.003 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: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2224.383670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.383670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.383670 (E_RNA) where: Base-Base interactions energy: -1566.636 where: short stacking energy: -657.065 Base-Backbone interact. energy: -4.849 local terms energy: -652.897931 where: bonds (distance) C4'-P energy: -117.951 bonds (distance) P-C4' energy: -125.216 flat angles C4'-P-C4' energy: -144.236 flat angles P-C4'-P energy: -87.370 tors. eta vs tors. theta energy: -178.124 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: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2159.875943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.875943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.875943 (E_RNA) where: Base-Base interactions energy: -1534.141 where: short stacking energy: -632.649 Base-Backbone interact. energy: -3.889 local terms energy: -621.846198 where: bonds (distance) C4'-P energy: -106.697 bonds (distance) P-C4' energy: -136.552 flat angles C4'-P-C4' energy: -135.722 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -167.995 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: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2010.015348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.015348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.015348 (E_RNA) where: Base-Base interactions energy: -1402.741 where: short stacking energy: -619.103 Base-Backbone interact. energy: -1.230 local terms energy: -606.044534 where: bonds (distance) C4'-P energy: -116.339 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -134.669 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -161.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1950.018410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.018410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.018410 (E_RNA) where: Base-Base interactions energy: -1349.879 where: short stacking energy: -558.114 Base-Backbone interact. energy: -1.818 local terms energy: -598.321712 where: bonds (distance) C4'-P energy: -113.430 bonds (distance) P-C4' energy: -121.105 flat angles C4'-P-C4' energy: -129.114 flat angles P-C4'-P energy: -76.532 tors. eta vs tors. theta energy: -158.141 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: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1674.709144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.709144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.709144 (E_RNA) where: Base-Base interactions energy: -1161.265 where: short stacking energy: -501.220 Base-Backbone interact. energy: 1.586 local terms energy: -515.029823 where: bonds (distance) C4'-P energy: -121.951 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -118.429 flat angles P-C4'-P energy: -63.610 tors. eta vs tors. theta energy: -122.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1585.410226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.410226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.410226 (E_RNA) where: Base-Base interactions energy: -1072.361 where: short stacking energy: -457.519 Base-Backbone interact. energy: -1.586 local terms energy: -511.463222 where: bonds (distance) C4'-P energy: -105.606 bonds (distance) P-C4' energy: -105.427 flat angles C4'-P-C4' energy: -135.200 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -108.081 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: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1392.554321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.554321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.554321 (E_RNA) where: Base-Base interactions energy: -909.239 where: short stacking energy: -389.808 Base-Backbone interact. energy: 3.173 local terms energy: -486.488728 where: bonds (distance) C4'-P energy: -119.339 bonds (distance) P-C4' energy: -119.756 flat angles C4'-P-C4' energy: -112.497 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -73.722 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: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -701.480631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.480631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.480631 (E_RNA) where: Base-Base interactions energy: -363.728 where: short stacking energy: -202.719 Base-Backbone interact. energy: 10.458 local terms energy: -348.210422 where: bonds (distance) C4'-P energy: -115.741 bonds (distance) P-C4' energy: -119.231 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -40.525 tors. eta vs tors. theta energy: 11.294 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: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2428.941702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.941702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.941702 (E_RNA) where: Base-Base interactions energy: -1736.841 where: short stacking energy: -714.330 Base-Backbone interact. energy: -2.945 local terms energy: -689.155929 where: bonds (distance) C4'-P energy: -130.122 bonds (distance) P-C4' energy: -134.855 flat angles C4'-P-C4' energy: -133.236 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -186.033 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: 2, replica: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2318.555440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.555440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.555440 (E_RNA) where: Base-Base interactions energy: -1629.935 where: short stacking energy: -658.836 Base-Backbone interact. energy: -0.390 local terms energy: -688.230790 where: bonds (distance) C4'-P energy: -120.584 bonds (distance) P-C4' energy: -123.041 flat angles C4'-P-C4' energy: -153.908 flat angles P-C4'-P energy: -106.165 tors. eta vs tors. theta energy: -184.533 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: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2194.184744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.184744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.184744 (E_RNA) where: Base-Base interactions energy: -1564.440 where: short stacking energy: -664.699 Base-Backbone interact. energy: -5.195 local terms energy: -624.549853 where: bonds (distance) C4'-P energy: -118.435 bonds (distance) P-C4' energy: -104.134 flat angles C4'-P-C4' energy: -142.535 flat angles P-C4'-P energy: -88.091 tors. eta vs tors. theta energy: -171.354 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: 303 Temperature: 1.050000 Total energy: -2206.160370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.160370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.160370 (E_RNA) where: Base-Base interactions energy: -1570.287 where: short stacking energy: -643.952 Base-Backbone interact. energy: -2.675 local terms energy: -633.198259 where: bonds (distance) C4'-P energy: -114.460 bonds (distance) P-C4' energy: -113.977 flat angles C4'-P-C4' energy: -138.975 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -171.597 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: 303 Temperature: 1.100000 Total energy: -2031.326868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.326868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.326868 (E_RNA) where: Base-Base interactions energy: -1428.069 where: short stacking energy: -621.866 Base-Backbone interact. energy: 0.204 local terms energy: -603.462495 where: bonds (distance) C4'-P energy: -118.763 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -119.277 flat angles P-C4'-P energy: -87.462 tors. eta vs tors. theta energy: -157.925 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: 303 Temperature: 1.150000 Total energy: -1945.036867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.036867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.036867 (E_RNA) where: Base-Base interactions energy: -1332.066 where: short stacking energy: -572.177 Base-Backbone interact. energy: -1.463 local terms energy: -611.508460 where: bonds (distance) C4'-P energy: -112.408 bonds (distance) P-C4' energy: -106.469 flat angles C4'-P-C4' energy: -139.788 flat angles P-C4'-P energy: -95.853 tors. eta vs tors. theta energy: -156.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1723.482795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.482795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.482795 (E_RNA) where: Base-Base interactions energy: -1212.962 where: short stacking energy: -511.202 Base-Backbone interact. energy: -2.903 local terms energy: -507.617553 where: bonds (distance) C4'-P energy: -97.516 bonds (distance) P-C4' energy: -102.762 flat angles C4'-P-C4' energy: -116.923 flat angles P-C4'-P energy: -75.304 tors. eta vs tors. theta energy: -115.114 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: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1594.291392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.291392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.291392 (E_RNA) where: Base-Base interactions energy: -1101.351 where: short stacking energy: -463.647 Base-Backbone interact. energy: -5.308 local terms energy: -487.632697 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -104.377 flat angles C4'-P-C4' energy: -105.380 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -105.119 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: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1362.695157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.695157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.695157 (E_RNA) where: Base-Base interactions energy: -913.105 where: short stacking energy: -404.101 Base-Backbone interact. energy: -0.305 local terms energy: -449.285497 where: bonds (distance) C4'-P energy: -85.459 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -114.284 flat angles P-C4'-P energy: -56.579 tors. eta vs tors. theta energy: -94.361 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: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -752.224665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.224665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.224665 (E_RNA) where: Base-Base interactions energy: -394.349 where: short stacking energy: -202.684 Base-Backbone interact. energy: -0.706 local terms energy: -357.169801 where: bonds (distance) C4'-P energy: -111.162 bonds (distance) P-C4' energy: -96.433 flat angles C4'-P-C4' energy: -93.947 flat angles P-C4'-P energy: -57.436 tors. eta vs tors. theta energy: 1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2422.548026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.548026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.548026 (E_RNA) where: Base-Base interactions energy: -1734.072 where: short stacking energy: -705.962 Base-Backbone interact. energy: -4.988 local terms energy: -683.487697 where: bonds (distance) C4'-P energy: -122.946 bonds (distance) P-C4' energy: -138.993 flat angles C4'-P-C4' energy: -138.801 flat angles P-C4'-P energy: -96.250 tors. eta vs tors. theta energy: -186.498 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: 9 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2309.284751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.284751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.284751 (E_RNA) where: Base-Base interactions energy: -1644.942 where: short stacking energy: -657.680 Base-Backbone interact. energy: 0.586 local terms energy: -664.928915 where: bonds (distance) C4'-P energy: -132.960 bonds (distance) P-C4' energy: -107.017 flat angles C4'-P-C4' energy: -149.540 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -178.169 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: 3, replica: 4 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2220.292376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.292376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.292376 (E_RNA) where: Base-Base interactions energy: -1555.747 where: short stacking energy: -619.997 Base-Backbone interact. energy: -4.326 local terms energy: -660.220320 where: bonds (distance) C4'-P energy: -123.902 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -148.463 flat angles P-C4'-P energy: -95.363 tors. eta vs tors. theta energy: -171.986 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: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2188.239581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.239581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.239581 (E_RNA) where: Base-Base interactions energy: -1526.843 where: short stacking energy: -637.360 Base-Backbone interact. energy: -0.924 local terms energy: -660.472240 where: bonds (distance) C4'-P energy: -122.572 bonds (distance) P-C4' energy: -113.574 flat angles C4'-P-C4' energy: -151.944 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: -188.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2045.116326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.116326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.116326 (E_RNA) where: Base-Base interactions energy: -1443.864 where: short stacking energy: -605.448 Base-Backbone interact. energy: -2.335 local terms energy: -598.917070 where: bonds (distance) C4'-P energy: -120.378 bonds (distance) P-C4' energy: -108.977 flat angles C4'-P-C4' energy: -126.879 flat angles P-C4'-P energy: -73.753 tors. eta vs tors. theta energy: -168.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1936.908484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.908484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.908484 (E_RNA) where: Base-Base interactions energy: -1348.990 where: short stacking energy: -569.645 Base-Backbone interact. energy: -3.088 local terms energy: -584.829826 where: bonds (distance) C4'-P energy: -120.526 bonds (distance) P-C4' energy: -115.026 flat angles C4'-P-C4' energy: -128.680 flat angles P-C4'-P energy: -77.573 tors. eta vs tors. theta energy: -143.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1697.381644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.381644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.381644 (E_RNA) where: Base-Base interactions energy: -1162.938 where: short stacking energy: -492.345 Base-Backbone interact. energy: -1.547 local terms energy: -532.896863 where: bonds (distance) C4'-P energy: -96.683 bonds (distance) P-C4' energy: -123.094 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -77.328 tors. eta vs tors. theta energy: -125.190 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: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1556.379709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.379709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.379709 (E_RNA) where: Base-Base interactions energy: -1032.441 where: short stacking energy: -460.752 Base-Backbone interact. energy: -2.152 local terms energy: -521.786364 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -118.836 flat angles C4'-P-C4' energy: -128.407 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -98.729 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: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1356.287474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.287474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.287474 (E_RNA) where: Base-Base interactions energy: -952.918 where: short stacking energy: -400.020 Base-Backbone interact. energy: -4.310 local terms energy: -399.058697 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -91.818 flat angles C4'-P-C4' energy: -89.569 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -74.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -777.196313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.196313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.196313 (E_RNA) where: Base-Base interactions energy: -429.205 where: short stacking energy: -249.134 Base-Backbone interact. energy: 0.592 local terms energy: -348.583614 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -79.872 flat angles P-C4'-P energy: -57.662 tors. eta vs tors. theta energy: 3.628 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: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2426.252474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.252474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.252474 (E_RNA) where: Base-Base interactions energy: -1723.287 where: short stacking energy: -698.863 Base-Backbone interact. energy: -1.236 local terms energy: -701.729318 where: bonds (distance) C4'-P energy: -122.973 bonds (distance) P-C4' energy: -133.987 flat angles C4'-P-C4' energy: -149.402 flat angles P-C4'-P energy: -110.061 tors. eta vs tors. theta energy: -185.307 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: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2332.201173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.201173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.201173 (E_RNA) where: Base-Base interactions energy: -1657.763 where: short stacking energy: -673.161 Base-Backbone interact. energy: 0.441 local terms energy: -674.879387 where: bonds (distance) C4'-P energy: -108.200 bonds (distance) P-C4' energy: -133.929 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -100.700 tors. eta vs tors. theta energy: -185.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2230.471558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.471558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.471558 (E_RNA) where: Base-Base interactions energy: -1578.812 where: short stacking energy: -665.575 Base-Backbone interact. energy: -2.507 local terms energy: -649.152443 where: bonds (distance) C4'-P energy: -117.705 bonds (distance) P-C4' energy: -123.617 flat angles C4'-P-C4' energy: -127.366 flat angles P-C4'-P energy: -95.817 tors. eta vs tors. theta energy: -184.648 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: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2207.699292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.699292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.699292 (E_RNA) where: Base-Base interactions energy: -1543.449 where: short stacking energy: -624.893 Base-Backbone interact. energy: 3.265 local terms energy: -667.514567 where: bonds (distance) C4'-P energy: -123.112 bonds (distance) P-C4' energy: -120.785 flat angles C4'-P-C4' energy: -152.260 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -172.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2049.248964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.248964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.248964 (E_RNA) where: Base-Base interactions energy: -1448.601 where: short stacking energy: -611.025 Base-Backbone interact. energy: -1.298 local terms energy: -599.350634 where: bonds (distance) C4'-P energy: -108.548 bonds (distance) P-C4' energy: -115.302 flat angles C4'-P-C4' energy: -136.050 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -169.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1969.543526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.543526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.543526 (E_RNA) where: Base-Base interactions energy: -1348.713 where: short stacking energy: -565.451 Base-Backbone interact. energy: -3.058 local terms energy: -617.773260 where: bonds (distance) C4'-P energy: -101.456 bonds (distance) P-C4' energy: -125.900 flat angles C4'-P-C4' energy: -142.673 flat angles P-C4'-P energy: -99.977 tors. eta vs tors. theta energy: -147.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1735.871646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.871646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.871646 (E_RNA) where: Base-Base interactions energy: -1193.673 where: short stacking energy: -515.429 Base-Backbone interact. energy: -0.710 local terms energy: -541.488899 where: bonds (distance) C4'-P energy: -110.438 bonds (distance) P-C4' energy: -105.302 flat angles C4'-P-C4' energy: -123.402 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -123.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1484.931828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.931828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.931828 (E_RNA) where: Base-Base interactions energy: -976.866 where: short stacking energy: -433.391 Base-Backbone interact. energy: -1.077 local terms energy: -506.988850 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -106.130 flat angles C4'-P-C4' energy: -102.739 flat angles P-C4'-P energy: -95.090 tors. eta vs tors. theta energy: -98.305 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: 9, replica: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1343.295281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.295281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.295281 (E_RNA) where: Base-Base interactions energy: -895.291 where: short stacking energy: -397.157 Base-Backbone interact. energy: 3.194 local terms energy: -451.198963 where: bonds (distance) C4'-P energy: -109.946 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -106.236 flat angles P-C4'-P energy: -70.038 tors. eta vs tors. theta energy: -78.965 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: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -750.802569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.802569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.802569 (E_RNA) where: Base-Base interactions energy: -391.555 where: short stacking energy: -217.240 Base-Backbone interact. energy: 2.732 local terms energy: -361.979687 where: bonds (distance) C4'-P energy: -100.832 bonds (distance) P-C4' energy: -119.385 flat angles C4'-P-C4' energy: -91.647 flat angles P-C4'-P energy: -58.475 tors. eta vs tors. theta energy: 8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2423.931194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.931194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.931194 (E_RNA) where: Base-Base interactions energy: -1719.073 where: short stacking energy: -691.898 Base-Backbone interact. energy: -5.431 local terms energy: -699.427904 where: bonds (distance) C4'-P energy: -125.690 bonds (distance) P-C4' energy: -141.939 flat angles C4'-P-C4' energy: -154.106 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -184.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2290.142823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.142823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.142823 (E_RNA) where: Base-Base interactions energy: -1625.223 where: short stacking energy: -671.110 Base-Backbone interact. energy: -2.309 local terms energy: -662.610807 where: bonds (distance) C4'-P energy: -130.610 bonds (distance) P-C4' energy: -123.592 flat angles C4'-P-C4' energy: -134.662 flat angles P-C4'-P energy: -97.558 tors. eta vs tors. theta energy: -176.189 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: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2223.707609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.707609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.707609 (E_RNA) where: Base-Base interactions energy: -1588.182 where: short stacking energy: -634.627 Base-Backbone interact. energy: -3.978 local terms energy: -631.547861 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -114.681 flat angles C4'-P-C4' energy: -148.863 flat angles P-C4'-P energy: -77.292 tors. eta vs tors. theta energy: -163.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2196.080296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.080296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.080296 (E_RNA) where: Base-Base interactions energy: -1558.983 where: short stacking energy: -630.849 Base-Backbone interact. energy: -4.016 local terms energy: -633.081744 where: bonds (distance) C4'-P energy: -121.938 bonds (distance) P-C4' energy: -117.460 flat angles C4'-P-C4' energy: -144.951 flat angles P-C4'-P energy: -72.067 tors. eta vs tors. theta energy: -176.666 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: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2040.465577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.465577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.465577 (E_RNA) where: Base-Base interactions energy: -1424.416 where: short stacking energy: -629.469 Base-Backbone interact. energy: -0.954 local terms energy: -615.094976 where: bonds (distance) C4'-P energy: -98.235 bonds (distance) P-C4' energy: -130.022 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -169.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1964.991173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.991173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.991173 (E_RNA) where: Base-Base interactions energy: -1365.387 where: short stacking energy: -566.298 Base-Backbone interact. energy: -1.750 local terms energy: -597.854953 where: bonds (distance) C4'-P energy: -97.254 bonds (distance) P-C4' energy: -129.598 flat angles C4'-P-C4' energy: -137.929 flat angles P-C4'-P energy: -78.188 tors. eta vs tors. theta energy: -154.886 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: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1753.467800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.467800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.467800 (E_RNA) where: Base-Base interactions energy: -1202.209 where: short stacking energy: -503.097 Base-Backbone interact. energy: -3.853 local terms energy: -547.405288 where: bonds (distance) C4'-P energy: -105.414 bonds (distance) P-C4' energy: -111.198 flat angles C4'-P-C4' energy: -125.144 flat angles P-C4'-P energy: -79.877 tors. eta vs tors. theta energy: -125.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1414.121530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.121530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.121530 (E_RNA) where: Base-Base interactions energy: -936.961 where: short stacking energy: -424.307 Base-Backbone interact. energy: -0.872 local terms energy: -476.288757 where: bonds (distance) C4'-P energy: -93.728 bonds (distance) P-C4' energy: -111.676 flat angles C4'-P-C4' energy: -108.637 flat angles P-C4'-P energy: -77.450 tors. eta vs tors. theta energy: -84.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1357.228019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.228019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.228019 (E_RNA) where: Base-Base interactions energy: -915.914 where: short stacking energy: -395.417 Base-Backbone interact. energy: 2.971 local terms energy: -444.284630 where: bonds (distance) C4'-P energy: -107.995 bonds (distance) P-C4' energy: -106.797 flat angles C4'-P-C4' energy: -100.612 flat angles P-C4'-P energy: -57.033 tors. eta vs tors. theta energy: -71.849 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -762.704355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.704355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.704355 (E_RNA) where: Base-Base interactions energy: -407.607 where: short stacking energy: -214.485 Base-Backbone interact. energy: -3.109 local terms energy: -351.988491 where: bonds (distance) C4'-P energy: -93.316 bonds (distance) P-C4' energy: -102.460 flat angles C4'-P-C4' energy: -118.494 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: 11.927 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: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2428.826064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.826064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.826064 (E_RNA) where: Base-Base interactions energy: -1721.851 where: short stacking energy: -708.072 Base-Backbone interact. energy: -3.203 local terms energy: -703.772892 where: bonds (distance) C4'-P energy: -127.916 bonds (distance) P-C4' energy: -131.457 flat angles C4'-P-C4' energy: -155.876 flat angles P-C4'-P energy: -108.429 tors. eta vs tors. theta energy: -180.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2302.866538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.866538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.866538 (E_RNA) where: Base-Base interactions energy: -1631.944 where: short stacking energy: -691.502 Base-Backbone interact. energy: -0.794 local terms energy: -670.128470 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -126.434 flat angles C4'-P-C4' energy: -144.874 flat angles P-C4'-P energy: -101.890 tors. eta vs tors. theta energy: -189.894 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2225.455157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.455157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.455157 (E_RNA) where: Base-Base interactions energy: -1575.586 where: short stacking energy: -629.569 Base-Backbone interact. energy: 2.428 local terms energy: -652.297079 where: bonds (distance) C4'-P energy: -120.745 bonds (distance) P-C4' energy: -126.243 flat angles C4'-P-C4' energy: -141.303 flat angles P-C4'-P energy: -94.277 tors. eta vs tors. theta energy: -169.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2206.511380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.511380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.511380 (E_RNA) where: Base-Base interactions energy: -1564.264 where: short stacking energy: -645.264 Base-Backbone interact. energy: -3.110 local terms energy: -639.137384 where: bonds (distance) C4'-P energy: -119.967 bonds (distance) P-C4' energy: -126.838 flat angles C4'-P-C4' energy: -130.910 flat angles P-C4'-P energy: -86.407 tors. eta vs tors. theta energy: -175.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1985.718173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.718173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.718173 (E_RNA) where: Base-Base interactions energy: -1382.644 where: short stacking energy: -622.198 Base-Backbone interact. energy: -0.330 local terms energy: -602.744243 where: bonds (distance) C4'-P energy: -103.556 bonds (distance) P-C4' energy: -117.905 flat angles C4'-P-C4' energy: -125.491 flat angles P-C4'-P energy: -95.237 tors. eta vs tors. theta energy: -160.555 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: 6, replica: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1967.693886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.693886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.693886 (E_RNA) where: Base-Base interactions energy: -1367.211 where: short stacking energy: -591.712 Base-Backbone interact. energy: -0.951 local terms energy: -599.531739 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -111.836 flat angles C4'-P-C4' energy: -144.667 flat angles P-C4'-P energy: -84.090 tors. eta vs tors. theta energy: -152.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1716.099903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.099903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.099903 (E_RNA) where: Base-Base interactions energy: -1158.701 where: short stacking energy: -493.148 Base-Backbone interact. energy: 1.204 local terms energy: -558.602454 where: bonds (distance) C4'-P energy: -114.583 bonds (distance) P-C4' energy: -118.132 flat angles C4'-P-C4' energy: -122.651 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -120.424 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: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1465.086514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.086514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.086514 (E_RNA) where: Base-Base interactions energy: -979.751 where: short stacking energy: -443.261 Base-Backbone interact. energy: -2.368 local terms energy: -482.967664 where: bonds (distance) C4'-P energy: -91.692 bonds (distance) P-C4' energy: -107.559 flat angles C4'-P-C4' energy: -107.863 flat angles P-C4'-P energy: -76.927 tors. eta vs tors. theta energy: -98.926 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: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1399.156050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.156050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.156050 (E_RNA) where: Base-Base interactions energy: -955.324 where: short stacking energy: -406.380 Base-Backbone interact. energy: 0.746 local terms energy: -444.577640 where: bonds (distance) C4'-P energy: -80.709 bonds (distance) P-C4' energy: -109.618 flat angles C4'-P-C4' energy: -95.277 flat angles P-C4'-P energy: -75.071 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -717.988853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.988853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.988853 (E_RNA) where: Base-Base interactions energy: -374.605 where: short stacking energy: -227.622 Base-Backbone interact. energy: 0.921 local terms energy: -344.304623 where: bonds (distance) C4'-P energy: -96.874 bonds (distance) P-C4' energy: -95.267 flat angles C4'-P-C4' energy: -93.796 flat angles P-C4'-P energy: -57.505 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: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2409.923826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.923826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.923826 (E_RNA) where: Base-Base interactions energy: -1673.779 where: short stacking energy: -705.065 Base-Backbone interact. energy: -4.318 local terms energy: -731.827044 where: bonds (distance) C4'-P energy: -138.183 bonds (distance) P-C4' energy: -137.306 flat angles C4'-P-C4' energy: -159.068 flat angles P-C4'-P energy: -106.501 tors. eta vs tors. theta energy: -190.769 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: 4 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2331.529369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.529369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.529369 (E_RNA) where: Base-Base interactions energy: -1660.224 where: short stacking energy: -678.208 Base-Backbone interact. energy: -2.257 local terms energy: -669.048578 where: bonds (distance) C4'-P energy: -121.588 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -146.647 flat angles P-C4'-P energy: -94.915 tors. eta vs tors. theta energy: -182.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2244.712804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.712804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.712804 (E_RNA) where: Base-Base interactions energy: -1592.606 where: short stacking energy: -660.773 Base-Backbone interact. energy: 0.522 local terms energy: -652.628442 where: bonds (distance) C4'-P energy: -116.999 bonds (distance) P-C4' energy: -134.933 flat angles C4'-P-C4' energy: -140.266 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -176.890 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: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2197.766979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.766979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.766979 (E_RNA) where: Base-Base interactions energy: -1536.412 where: short stacking energy: -621.238 Base-Backbone interact. energy: -1.538 local terms energy: -659.816873 where: bonds (distance) C4'-P energy: -134.119 bonds (distance) P-C4' energy: -122.100 flat angles C4'-P-C4' energy: -140.675 flat angles P-C4'-P energy: -85.133 tors. eta vs tors. theta energy: -177.791 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2006.133973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.133973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.133973 (E_RNA) where: Base-Base interactions energy: -1407.831 where: short stacking energy: -578.177 Base-Backbone interact. energy: 0.799 local terms energy: -599.101758 where: bonds (distance) C4'-P energy: -123.598 bonds (distance) P-C4' energy: -119.053 flat angles C4'-P-C4' energy: -140.286 flat angles P-C4'-P energy: -71.901 tors. eta vs tors. theta energy: -144.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1934.969226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.969226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.969226 (E_RNA) where: Base-Base interactions energy: -1350.657 where: short stacking energy: -586.439 Base-Backbone interact. energy: 1.486 local terms energy: -585.797503 where: bonds (distance) C4'-P energy: -112.417 bonds (distance) P-C4' energy: -122.008 flat angles C4'-P-C4' energy: -120.358 flat angles P-C4'-P energy: -87.325 tors. eta vs tors. theta energy: -143.690 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1674.532582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.532582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.532582 (E_RNA) where: Base-Base interactions energy: -1129.642 where: short stacking energy: -497.251 Base-Backbone interact. energy: -2.315 local terms energy: -542.576334 where: bonds (distance) C4'-P energy: -114.843 bonds (distance) P-C4' energy: -123.352 flat angles C4'-P-C4' energy: -122.181 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -108.816 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: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1511.746734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.746734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.746734 (E_RNA) where: Base-Base interactions energy: -1008.675 where: short stacking energy: -446.707 Base-Backbone interact. energy: 0.348 local terms energy: -503.419384 where: bonds (distance) C4'-P energy: -95.137 bonds (distance) P-C4' energy: -124.041 flat angles C4'-P-C4' energy: -115.297 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: -94.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1394.191652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.191652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.191652 (E_RNA) where: Base-Base interactions energy: -925.052 where: short stacking energy: -370.132 Base-Backbone interact. energy: -6.828 local terms energy: -462.312416 where: bonds (distance) C4'-P energy: -69.609 bonds (distance) P-C4' energy: -126.146 flat angles C4'-P-C4' energy: -112.255 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -70.378 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: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -713.148273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.148273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.148273 (E_RNA) where: Base-Base interactions energy: -375.705 where: short stacking energy: -190.067 Base-Backbone interact. energy: 3.052 local terms energy: -340.495522 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -114.941 flat angles C4'-P-C4' energy: -74.573 flat angles P-C4'-P energy: -50.942 tors. eta vs tors. theta energy: 8.939 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2406.597947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.597947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.597947 (E_RNA) where: Base-Base interactions energy: -1698.225 where: short stacking energy: -702.368 Base-Backbone interact. energy: -4.532 local terms energy: -703.841163 where: bonds (distance) C4'-P energy: -124.057 bonds (distance) P-C4' energy: -124.727 flat angles C4'-P-C4' energy: -159.138 flat angles P-C4'-P energy: -105.633 tors. eta vs tors. theta energy: -190.287 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: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2312.099244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.099244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.099244 (E_RNA) where: Base-Base interactions energy: -1626.169 where: short stacking energy: -670.162 Base-Backbone interact. energy: -3.185 local terms energy: -682.745405 where: bonds (distance) C4'-P energy: -115.585 bonds (distance) P-C4' energy: -133.672 flat angles C4'-P-C4' energy: -143.266 flat angles P-C4'-P energy: -104.499 tors. eta vs tors. theta energy: -185.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2270.154390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.154390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.154390 (E_RNA) where: Base-Base interactions energy: -1621.001 where: short stacking energy: -686.199 Base-Backbone interact. energy: -1.477 local terms energy: -647.676058 where: bonds (distance) C4'-P energy: -115.250 bonds (distance) P-C4' energy: -120.895 flat angles C4'-P-C4' energy: -137.818 flat angles P-C4'-P energy: -84.332 tors. eta vs tors. theta energy: -189.380 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2217.109021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.109021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.109021 (E_RNA) where: Base-Base interactions energy: -1553.682 where: short stacking energy: -672.853 Base-Backbone interact. energy: -6.322 local terms energy: -657.104783 where: bonds (distance) C4'-P energy: -103.778 bonds (distance) P-C4' energy: -120.610 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -94.170 tors. eta vs tors. theta energy: -183.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2004.780830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.780830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.780830 (E_RNA) where: Base-Base interactions energy: -1388.021 where: short stacking energy: -568.616 Base-Backbone interact. energy: -2.629 local terms energy: -614.130619 where: bonds (distance) C4'-P energy: -117.828 bonds (distance) P-C4' energy: -130.711 flat angles C4'-P-C4' energy: -133.270 flat angles P-C4'-P energy: -91.492 tors. eta vs tors. theta energy: -140.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1961.267239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.267239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.267239 (E_RNA) where: Base-Base interactions energy: -1361.235 where: short stacking energy: -581.317 Base-Backbone interact. energy: -2.287 local terms energy: -597.745459 where: bonds (distance) C4'-P energy: -102.428 bonds (distance) P-C4' energy: -122.014 flat angles C4'-P-C4' energy: -140.158 flat angles P-C4'-P energy: -74.099 tors. eta vs tors. theta energy: -159.047 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: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1716.225189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.225189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.225189 (E_RNA) where: Base-Base interactions energy: -1214.271 where: short stacking energy: -528.421 Base-Backbone interact. energy: 5.166 local terms energy: -507.120342 where: bonds (distance) C4'-P energy: -104.575 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -110.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1487.267695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.267695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.267695 (E_RNA) where: Base-Base interactions energy: -1003.687 where: short stacking energy: -433.449 Base-Backbone interact. energy: -0.595 local terms energy: -482.985566 where: bonds (distance) C4'-P energy: -113.623 bonds (distance) P-C4' energy: -97.346 flat angles C4'-P-C4' energy: -132.370 flat angles P-C4'-P energy: -61.028 tors. eta vs tors. theta energy: -78.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1476.850074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.850074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.850074 (E_RNA) where: Base-Base interactions energy: -980.270 where: short stacking energy: -391.664 Base-Backbone interact. energy: -1.117 local terms energy: -495.463092 where: bonds (distance) C4'-P energy: -110.084 bonds (distance) P-C4' energy: -108.836 flat angles C4'-P-C4' energy: -118.459 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -77.953 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: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -725.851439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.851439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.851439 (E_RNA) where: Base-Base interactions energy: -314.018 where: short stacking energy: -179.589 Base-Backbone interact. energy: -0.099 local terms energy: -411.734239 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -114.063 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: 5.218 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: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2414.036524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.036524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.036524 (E_RNA) where: Base-Base interactions energy: -1700.450 where: short stacking energy: -676.017 Base-Backbone interact. energy: -3.280 local terms energy: -710.306405 where: bonds (distance) C4'-P energy: -147.894 bonds (distance) P-C4' energy: -131.766 flat angles C4'-P-C4' energy: -140.635 flat angles P-C4'-P energy: -100.113 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: 4 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2290.611956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.611956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.611956 (E_RNA) where: Base-Base interactions energy: -1601.118 where: short stacking energy: -670.479 Base-Backbone interact. energy: -4.324 local terms energy: -685.169783 where: bonds (distance) C4'-P energy: -124.480 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -148.349 flat angles P-C4'-P energy: -94.178 tors. eta vs tors. theta energy: -187.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2258.584442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.584442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.584442 (E_RNA) where: Base-Base interactions energy: -1592.667 where: short stacking energy: -651.288 Base-Backbone interact. energy: -2.839 local terms energy: -663.078918 where: bonds (distance) C4'-P energy: -131.756 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -150.786 flat angles P-C4'-P energy: -86.877 tors. eta vs tors. theta energy: -180.759 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: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2157.348041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.348041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.348041 (E_RNA) where: Base-Base interactions energy: -1516.987 where: short stacking energy: -652.332 Base-Backbone interact. energy: 1.472 local terms energy: -641.833310 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -126.338 flat angles C4'-P-C4' energy: -132.294 flat angles P-C4'-P energy: -84.499 tors. eta vs tors. theta energy: -174.319 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: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2006.331235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.331235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.331235 (E_RNA) where: Base-Base interactions energy: -1397.017 where: short stacking energy: -610.319 Base-Backbone interact. energy: 0.713 local terms energy: -610.027009 where: bonds (distance) C4'-P energy: -103.585 bonds (distance) P-C4' energy: -125.082 flat angles C4'-P-C4' energy: -133.948 flat angles P-C4'-P energy: -90.033 tors. eta vs tors. theta energy: -157.380 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: 6, replica: 8 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1955.959592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.959592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.959592 (E_RNA) where: Base-Base interactions energy: -1361.356 where: short stacking energy: -599.975 Base-Backbone interact. energy: -2.459 local terms energy: -592.145143 where: bonds (distance) C4'-P energy: -100.170 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -132.118 flat angles P-C4'-P energy: -91.802 tors. eta vs tors. theta energy: -152.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1686.239943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.239943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.239943 (E_RNA) where: Base-Base interactions energy: -1124.008 where: short stacking energy: -506.214 Base-Backbone interact. energy: -0.381 local terms energy: -561.850624 where: bonds (distance) C4'-P energy: -120.897 bonds (distance) P-C4' energy: -94.734 flat angles C4'-P-C4' energy: -125.089 flat angles P-C4'-P energy: -80.803 tors. eta vs tors. theta energy: -140.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1474.167230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.167230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.167230 (E_RNA) where: Base-Base interactions energy: -1002.500 where: short stacking energy: -442.831 Base-Backbone interact. energy: -2.298 local terms energy: -469.369362 where: bonds (distance) C4'-P energy: -91.730 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -118.735 flat angles P-C4'-P energy: -66.550 tors. eta vs tors. theta energy: -87.537 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: 9, replica: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1443.978801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.978801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.978801 (E_RNA) where: Base-Base interactions energy: -990.070 where: short stacking energy: -400.955 Base-Backbone interact. energy: -2.009 local terms energy: -451.899749 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -116.099 flat angles C4'-P-C4' energy: -101.653 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -72.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -718.104435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.104435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.104435 (E_RNA) where: Base-Base interactions energy: -359.792 where: short stacking energy: -206.950 Base-Backbone interact. energy: 2.146 local terms energy: -360.458912 where: bonds (distance) C4'-P energy: -106.492 bonds (distance) P-C4' energy: -107.298 flat angles C4'-P-C4' energy: -83.502 flat angles P-C4'-P energy: -62.412 tors. eta vs tors. theta energy: -0.755 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: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2423.781898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.781898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.781898 (E_RNA) where: Base-Base interactions energy: -1729.441 where: short stacking energy: -690.016 Base-Backbone interact. energy: -7.291 local terms energy: -687.050387 where: bonds (distance) C4'-P energy: -128.972 bonds (distance) P-C4' energy: -127.669 flat angles C4'-P-C4' energy: -158.382 flat angles P-C4'-P energy: -84.395 tors. eta vs tors. theta energy: -187.633 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: 2, replica: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2271.258617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.258617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.258617 (E_RNA) where: Base-Base interactions energy: -1607.265 where: short stacking energy: -664.113 Base-Backbone interact. energy: 1.197 local terms energy: -665.191399 where: bonds (distance) C4'-P energy: -123.509 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -137.548 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -176.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2243.196230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.196230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.196230 (E_RNA) where: Base-Base interactions energy: -1590.615 where: short stacking energy: -670.402 Base-Backbone interact. energy: -3.055 local terms energy: -649.526018 where: bonds (distance) C4'-P energy: -116.970 bonds (distance) P-C4' energy: -124.089 flat angles C4'-P-C4' energy: -140.252 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -180.920 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: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2163.230670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.230670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.230670 (E_RNA) where: Base-Base interactions energy: -1506.852 where: short stacking energy: -657.093 Base-Backbone interact. energy: 0.330 local terms energy: -656.708773 where: bonds (distance) C4'-P energy: -111.838 bonds (distance) P-C4' energy: -118.324 flat angles C4'-P-C4' energy: -142.655 flat angles P-C4'-P energy: -100.611 tors. eta vs tors. theta energy: -183.280 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: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2034.462834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.462834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.462834 (E_RNA) where: Base-Base interactions energy: -1405.893 where: short stacking energy: -592.840 Base-Backbone interact. energy: -1.645 local terms energy: -626.924589 where: bonds (distance) C4'-P energy: -125.810 bonds (distance) P-C4' energy: -122.501 flat angles C4'-P-C4' energy: -129.805 flat angles P-C4'-P energy: -80.675 tors. eta vs tors. theta energy: -168.134 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: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1966.088359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.088359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.088359 (E_RNA) where: Base-Base interactions energy: -1395.049 where: short stacking energy: -583.745 Base-Backbone interact. energy: -1.272 local terms energy: -569.767270 where: bonds (distance) C4'-P energy: -115.101 bonds (distance) P-C4' energy: -103.056 flat angles C4'-P-C4' energy: -120.151 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: -153.446 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: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1689.096675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.096675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.096675 (E_RNA) where: Base-Base interactions energy: -1151.260 where: short stacking energy: -499.635 Base-Backbone interact. energy: -0.917 local terms energy: -536.919890 where: bonds (distance) C4'-P energy: -96.961 bonds (distance) P-C4' energy: -114.483 flat angles C4'-P-C4' energy: -119.535 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -121.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1476.230829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.230829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.230829 (E_RNA) where: Base-Base interactions energy: -971.871 where: short stacking energy: -416.952 Base-Backbone interact. energy: -0.553 local terms energy: -503.807208 where: bonds (distance) C4'-P energy: -117.253 bonds (distance) P-C4' energy: -111.734 flat angles C4'-P-C4' energy: -107.429 flat angles P-C4'-P energy: -71.504 tors. eta vs tors. theta energy: -95.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1362.578638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.578638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.578638 (E_RNA) where: Base-Base interactions energy: -907.298 where: short stacking energy: -388.417 Base-Backbone interact. energy: -3.426 local terms energy: -451.855170 where: bonds (distance) C4'-P energy: -96.229 bonds (distance) P-C4' energy: -111.793 flat angles C4'-P-C4' energy: -115.159 flat angles P-C4'-P energy: -58.155 tors. eta vs tors. theta energy: -70.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -730.316290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.316290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.316290 (E_RNA) where: Base-Base interactions energy: -381.999 where: short stacking energy: -236.741 Base-Backbone interact. energy: 2.132 local terms energy: -350.448800 where: bonds (distance) C4'-P energy: -85.587 bonds (distance) P-C4' energy: -105.240 flat angles C4'-P-C4' energy: -102.346 flat angles P-C4'-P energy: -60.816 tors. eta vs tors. theta energy: 3.541 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: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2421.457866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.457866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.457866 (E_RNA) where: Base-Base interactions energy: -1696.638 where: short stacking energy: -704.184 Base-Backbone interact. energy: 0.275 local terms energy: -725.094456 where: bonds (distance) C4'-P energy: -140.001 bonds (distance) P-C4' energy: -138.175 flat angles C4'-P-C4' energy: -147.849 flat angles P-C4'-P energy: -102.376 tors. eta vs tors. theta energy: -196.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2277.782396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.782396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.782396 (E_RNA) where: Base-Base interactions energy: -1617.271 where: short stacking energy: -663.659 Base-Backbone interact. energy: -2.830 local terms energy: -657.681516 where: bonds (distance) C4'-P energy: -125.249 bonds (distance) P-C4' energy: -121.801 flat angles C4'-P-C4' energy: -143.189 flat angles P-C4'-P energy: -92.536 tors. eta vs tors. theta energy: -174.906 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: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2258.351931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.351931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.351931 (E_RNA) where: Base-Base interactions energy: -1609.555 where: short stacking energy: -668.826 Base-Backbone interact. energy: -4.186 local terms energy: -644.611080 where: bonds (distance) C4'-P energy: -114.008 bonds (distance) P-C4' energy: -116.448 flat angles C4'-P-C4' energy: -137.990 flat angles P-C4'-P energy: -89.458 tors. eta vs tors. theta energy: -186.707 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: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2116.095113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.095113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.095113 (E_RNA) where: Base-Base interactions energy: -1504.434 where: short stacking energy: -623.643 Base-Backbone interact. energy: 0.431 local terms energy: -612.092017 where: bonds (distance) C4'-P energy: -121.846 bonds (distance) P-C4' energy: -101.056 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -86.709 tors. eta vs tors. theta energy: -162.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2022.467390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.467390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.467390 (E_RNA) where: Base-Base interactions energy: -1405.151 where: short stacking energy: -593.147 Base-Backbone interact. energy: 0.192 local terms energy: -617.508492 where: bonds (distance) C4'-P energy: -116.298 bonds (distance) P-C4' energy: -122.935 flat angles C4'-P-C4' energy: -139.696 flat angles P-C4'-P energy: -92.830 tors. eta vs tors. theta energy: -145.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1984.076747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.076747 (E_RNA) where: Base-Base interactions energy: -1368.828 where: short stacking energy: -586.786 Base-Backbone interact. energy: 2.543 local terms energy: -617.791331 where: bonds (distance) C4'-P energy: -108.496 bonds (distance) P-C4' energy: -124.948 flat angles C4'-P-C4' energy: -128.106 flat angles P-C4'-P energy: -92.720 tors. eta vs tors. theta energy: -163.522 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: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1727.988634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.988634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.988634 (E_RNA) where: Base-Base interactions energy: -1194.476 where: short stacking energy: -515.129 Base-Backbone interact. energy: -0.990 local terms energy: -532.522195 where: bonds (distance) C4'-P energy: -113.806 bonds (distance) P-C4' energy: -111.110 flat angles C4'-P-C4' energy: -125.401 flat angles P-C4'-P energy: -70.716 tors. eta vs tors. theta energy: -111.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1481.341645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.341645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.341645 (E_RNA) where: Base-Base interactions energy: -999.961 where: short stacking energy: -427.585 Base-Backbone interact. energy: 2.818 local terms energy: -484.198019 where: bonds (distance) C4'-P energy: -92.134 bonds (distance) P-C4' energy: -118.515 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -72.181 tors. eta vs tors. theta energy: -95.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1399.509036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.509036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.509036 (E_RNA) where: Base-Base interactions energy: -904.210 where: short stacking energy: -403.923 Base-Backbone interact. energy: -1.875 local terms energy: -493.424256 where: bonds (distance) C4'-P energy: -116.482 bonds (distance) P-C4' energy: -110.236 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -92.690 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: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -683.825147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.825147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.825147 (E_RNA) where: Base-Base interactions energy: -323.481 where: short stacking energy: -184.656 Base-Backbone interact. energy: -1.664 local terms energy: -358.680588 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -104.945 flat angles C4'-P-C4' energy: -86.693 flat angles P-C4'-P energy: -50.603 tors. eta vs tors. theta energy: 5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2428.217928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.217928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.217928 (E_RNA) where: Base-Base interactions energy: -1721.670 where: short stacking energy: -718.096 Base-Backbone interact. energy: -1.557 local terms energy: -704.990313 where: bonds (distance) C4'-P energy: -127.760 bonds (distance) P-C4' energy: -123.402 flat angles C4'-P-C4' energy: -160.375 flat angles P-C4'-P energy: -100.628 tors. eta vs tors. theta energy: -192.825 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: 4 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2303.766431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.766431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.766431 (E_RNA) where: Base-Base interactions energy: -1611.599 where: short stacking energy: -663.233 Base-Backbone interact. energy: 0.115 local terms energy: -692.282407 where: bonds (distance) C4'-P energy: -123.397 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -149.881 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -189.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2299.347784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.347784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.347784 (E_RNA) where: Base-Base interactions energy: -1632.705 where: short stacking energy: -688.089 Base-Backbone interact. energy: -4.248 local terms energy: -662.394558 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -124.086 flat angles C4'-P-C4' energy: -141.730 flat angles P-C4'-P energy: -86.952 tors. eta vs tors. theta energy: -193.170 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: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2147.863152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.863152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.863152 (E_RNA) where: Base-Base interactions energy: -1478.142 where: short stacking energy: -607.065 Base-Backbone interact. energy: 1.731 local terms energy: -671.452819 where: bonds (distance) C4'-P energy: -122.195 bonds (distance) P-C4' energy: -126.238 flat angles C4'-P-C4' energy: -140.129 flat angles P-C4'-P energy: -107.091 tors. eta vs tors. theta energy: -175.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2003.795894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.795894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.795894 (E_RNA) where: Base-Base interactions energy: -1395.388 where: short stacking energy: -585.290 Base-Backbone interact. energy: 1.477 local terms energy: -609.885029 where: bonds (distance) C4'-P energy: -129.005 bonds (distance) P-C4' energy: -105.970 flat angles C4'-P-C4' energy: -126.396 flat angles P-C4'-P energy: -85.827 tors. eta vs tors. theta energy: -162.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1979.749512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.749512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.749512 (E_RNA) where: Base-Base interactions energy: -1394.856 where: short stacking energy: -595.675 Base-Backbone interact. energy: 3.604 local terms energy: -588.497124 where: bonds (distance) C4'-P energy: -117.401 bonds (distance) P-C4' energy: -102.271 flat angles C4'-P-C4' energy: -130.569 flat angles P-C4'-P energy: -89.897 tors. eta vs tors. theta energy: -148.359 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: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1775.288983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.288983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.288983 (E_RNA) where: Base-Base interactions energy: -1245.744 where: short stacking energy: -509.604 Base-Backbone interact. energy: -0.465 local terms energy: -529.080263 where: bonds (distance) C4'-P energy: -105.254 bonds (distance) P-C4' energy: -115.458 flat angles C4'-P-C4' energy: -128.617 flat angles P-C4'-P energy: -57.512 tors. eta vs tors. theta energy: -122.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1408.338329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.338329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.338329 (E_RNA) where: Base-Base interactions energy: -951.620 where: short stacking energy: -427.220 Base-Backbone interact. energy: -1.411 local terms energy: -455.307059 where: bonds (distance) C4'-P energy: -96.152 bonds (distance) P-C4' energy: -109.486 flat angles C4'-P-C4' energy: -119.114 flat angles P-C4'-P energy: -57.533 tors. eta vs tors. theta energy: -73.023 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: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1370.149439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.149439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.149439 (E_RNA) where: Base-Base interactions energy: -921.795 where: short stacking energy: -401.014 Base-Backbone interact. energy: -4.560 local terms energy: -443.794767 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -99.470 flat angles C4'-P-C4' energy: -110.576 flat angles P-C4'-P energy: -65.298 tors. eta vs tors. theta energy: -71.735 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: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -682.101902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.101902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.101902 (E_RNA) where: Base-Base interactions energy: -312.750 where: short stacking energy: -174.496 Base-Backbone interact. energy: 1.599 local terms energy: -370.951821 where: bonds (distance) C4'-P energy: -109.676 bonds (distance) P-C4' energy: -103.922 flat angles C4'-P-C4' energy: -92.285 flat angles P-C4'-P energy: -62.118 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2421.424860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.424860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.424860 (E_RNA) where: Base-Base interactions energy: -1691.994 where: short stacking energy: -701.890 Base-Backbone interact. energy: -1.588 local terms energy: -727.842299 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -135.231 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -106.872 tors. eta vs tors. theta energy: -199.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2274.803323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.803323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.803323 (E_RNA) where: Base-Base interactions energy: -1590.659 where: short stacking energy: -655.310 Base-Backbone interact. energy: -3.722 local terms energy: -680.422207 where: bonds (distance) C4'-P energy: -120.831 bonds (distance) P-C4' energy: -128.415 flat angles C4'-P-C4' energy: -157.956 flat angles P-C4'-P energy: -93.931 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: 3, replica: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2281.134520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.134520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.134520 (E_RNA) where: Base-Base interactions energy: -1611.588 where: short stacking energy: -686.369 Base-Backbone interact. energy: -1.693 local terms energy: -667.852711 where: bonds (distance) C4'-P energy: -116.200 bonds (distance) P-C4' energy: -123.839 flat angles C4'-P-C4' energy: -147.807 flat angles P-C4'-P energy: -93.881 tors. eta vs tors. theta energy: -186.126 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: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2171.285184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.285184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.285184 (E_RNA) where: Base-Base interactions energy: -1526.262 where: short stacking energy: -629.434 Base-Backbone interact. energy: 1.128 local terms energy: -646.151641 where: bonds (distance) C4'-P energy: -107.401 bonds (distance) P-C4' energy: -139.758 flat angles C4'-P-C4' energy: -130.612 flat angles P-C4'-P energy: -93.355 tors. eta vs tors. theta energy: -175.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2053.171876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.171876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.171876 (E_RNA) where: Base-Base interactions energy: -1405.117 where: short stacking energy: -609.350 Base-Backbone interact. energy: -0.273 local terms energy: -647.781884 where: bonds (distance) C4'-P energy: -121.417 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -143.886 flat angles P-C4'-P energy: -96.543 tors. eta vs tors. theta energy: -168.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1969.622263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.622263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.622263 (E_RNA) where: Base-Base interactions energy: -1350.471 where: short stacking energy: -562.761 Base-Backbone interact. energy: 0.985 local terms energy: -620.137061 where: bonds (distance) C4'-P energy: -124.910 bonds (distance) P-C4' energy: -122.807 flat angles C4'-P-C4' energy: -140.157 flat angles P-C4'-P energy: -92.596 tors. eta vs tors. theta energy: -139.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1748.439764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.439764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.439764 (E_RNA) where: Base-Base interactions energy: -1158.791 where: short stacking energy: -506.237 Base-Backbone interact. energy: -0.318 local terms energy: -589.330523 where: bonds (distance) C4'-P energy: -108.221 bonds (distance) P-C4' energy: -133.848 flat angles C4'-P-C4' energy: -136.711 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -132.661 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: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1415.824593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.824593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.824593 (E_RNA) where: Base-Base interactions energy: -939.637 where: short stacking energy: -421.066 Base-Backbone interact. energy: -1.500 local terms energy: -474.687218 where: bonds (distance) C4'-P energy: -123.029 bonds (distance) P-C4' energy: -102.139 flat angles C4'-P-C4' energy: -108.436 flat angles P-C4'-P energy: -68.635 tors. eta vs tors. theta energy: -72.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1385.856632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.856632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.856632 (E_RNA) where: Base-Base interactions energy: -913.468 where: short stacking energy: -399.181 Base-Backbone interact. energy: 0.659 local terms energy: -473.047548 where: bonds (distance) C4'-P energy: -107.733 bonds (distance) P-C4' energy: -107.528 flat angles C4'-P-C4' energy: -93.033 flat angles P-C4'-P energy: -72.958 tors. eta vs tors. theta energy: -91.794 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: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -715.319387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.319387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.319387 (E_RNA) where: Base-Base interactions energy: -348.994 where: short stacking energy: -211.482 Base-Backbone interact. energy: 3.758 local terms energy: -370.084075 where: bonds (distance) C4'-P energy: -93.494 bonds (distance) P-C4' energy: -114.808 flat angles C4'-P-C4' energy: -98.451 flat angles P-C4'-P energy: -59.412 tors. eta vs tors. theta energy: -3.918 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: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2375.487591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.487591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.487591 (E_RNA) where: Base-Base interactions energy: -1665.653 where: short stacking energy: -694.051 Base-Backbone interact. energy: -4.451 local terms energy: -705.383937 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -140.524 flat angles C4'-P-C4' energy: -149.766 flat angles P-C4'-P energy: -103.592 tors. eta vs tors. theta energy: -190.608 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: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2326.761290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.761290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.761290 (E_RNA) where: Base-Base interactions energy: -1607.633 where: short stacking energy: -667.782 Base-Backbone interact. energy: -4.347 local terms energy: -714.781827 where: bonds (distance) C4'-P energy: -130.149 bonds (distance) P-C4' energy: -130.621 flat angles C4'-P-C4' energy: -147.447 flat angles P-C4'-P energy: -105.163 tors. eta vs tors. theta energy: -201.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2232.674508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.674508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.674508 (E_RNA) where: Base-Base interactions energy: -1559.693 where: short stacking energy: -637.455 Base-Backbone interact. energy: -5.087 local terms energy: -667.894205 where: bonds (distance) C4'-P energy: -135.016 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -141.397 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -166.524 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2229.601682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.601682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.601682 (E_RNA) where: Base-Base interactions energy: -1566.861 where: short stacking energy: -666.427 Base-Backbone interact. energy: 4.700 local terms energy: -667.441245 where: bonds (distance) C4'-P energy: -119.933 bonds (distance) P-C4' energy: -110.921 flat angles C4'-P-C4' energy: -146.889 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -187.454 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: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2022.945302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.945302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.945302 (E_RNA) where: Base-Base interactions energy: -1421.072 where: short stacking energy: -589.796 Base-Backbone interact. energy: -1.613 local terms energy: -600.259505 where: bonds (distance) C4'-P energy: -105.568 bonds (distance) P-C4' energy: -129.368 flat angles C4'-P-C4' energy: -118.628 flat angles P-C4'-P energy: -95.106 tors. eta vs tors. theta energy: -151.589 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: 315 Temperature: 1.150000 Total energy: -1970.219631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.219631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.219631 (E_RNA) where: Base-Base interactions energy: -1365.610 where: short stacking energy: -561.930 Base-Backbone interact. energy: 1.200 local terms energy: -605.809163 where: bonds (distance) C4'-P energy: -121.716 bonds (distance) P-C4' energy: -126.681 flat angles C4'-P-C4' energy: -130.278 flat angles P-C4'-P energy: -75.601 tors. eta vs tors. theta energy: -151.533 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: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1769.516464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.516464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.516464 (E_RNA) where: Base-Base interactions energy: -1213.922 where: short stacking energy: -488.794 Base-Backbone interact. energy: -2.159 local terms energy: -553.435378 where: bonds (distance) C4'-P energy: -110.051 bonds (distance) P-C4' energy: -107.286 flat angles C4'-P-C4' energy: -127.731 flat angles P-C4'-P energy: -81.194 tors. eta vs tors. theta energy: -127.172 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: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1492.247517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.247517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.247517 (E_RNA) where: Base-Base interactions energy: -1038.452 where: short stacking energy: -473.384 Base-Backbone interact. energy: -2.138 local terms energy: -451.657693 where: bonds (distance) C4'-P energy: -82.372 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -112.319 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -92.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1304.928218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.928218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.928218 (E_RNA) where: Base-Base interactions energy: -879.521 where: short stacking energy: -368.267 Base-Backbone interact. energy: -0.381 local terms energy: -425.025648 where: bonds (distance) C4'-P energy: -109.459 bonds (distance) P-C4' energy: -108.910 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -50.365 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: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -733.304789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.304789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.304789 (E_RNA) where: Base-Base interactions energy: -368.052 where: short stacking energy: -236.236 Base-Backbone interact. energy: 1.714 local terms energy: -366.966528 where: bonds (distance) C4'-P energy: -83.823 bonds (distance) P-C4' energy: -111.322 flat angles C4'-P-C4' energy: -94.377 flat angles P-C4'-P energy: -59.095 tors. eta vs tors. theta energy: -18.350 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: 1, replica: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2393.153382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.153382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.153382 (E_RNA) where: Base-Base interactions energy: -1679.886 where: short stacking energy: -710.174 Base-Backbone interact. energy: -2.996 local terms energy: -710.272062 where: bonds (distance) C4'-P energy: -109.173 bonds (distance) P-C4' energy: -144.650 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -106.629 tors. eta vs tors. theta energy: -194.526 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: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2306.161765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.161765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.161765 (E_RNA) where: Base-Base interactions energy: -1632.941 where: short stacking energy: -657.451 Base-Backbone interact. energy: -2.737 local terms energy: -670.484065 where: bonds (distance) C4'-P energy: -122.181 bonds (distance) P-C4' energy: -118.472 flat angles C4'-P-C4' energy: -151.348 flat angles P-C4'-P energy: -102.824 tors. eta vs tors. theta energy: -175.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2210.576632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.576632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.576632 (E_RNA) where: Base-Base interactions energy: -1513.166 where: short stacking energy: -649.364 Base-Backbone interact. energy: -0.363 local terms energy: -697.047542 where: bonds (distance) C4'-P energy: -125.133 bonds (distance) P-C4' energy: -137.878 flat angles C4'-P-C4' energy: -146.189 flat angles P-C4'-P energy: -101.204 tors. eta vs tors. theta energy: -186.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2184.056444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.056444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.056444 (E_RNA) where: Base-Base interactions energy: -1558.429 where: short stacking energy: -631.927 Base-Backbone interact. energy: 0.165 local terms energy: -625.792093 where: bonds (distance) C4'-P energy: -120.816 bonds (distance) P-C4' energy: -102.942 flat angles C4'-P-C4' energy: -138.526 flat angles P-C4'-P energy: -75.396 tors. eta vs tors. theta energy: -188.112 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: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2020.484916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.484916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.484916 (E_RNA) where: Base-Base interactions energy: -1398.914 where: short stacking energy: -603.224 Base-Backbone interact. energy: 1.701 local terms energy: -623.271636 where: bonds (distance) C4'-P energy: -118.093 bonds (distance) P-C4' energy: -117.483 flat angles C4'-P-C4' energy: -120.748 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -172.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1956.578778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.578778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.578778 (E_RNA) where: Base-Base interactions energy: -1380.243 where: short stacking energy: -568.545 Base-Backbone interact. energy: -3.427 local terms energy: -572.908715 where: bonds (distance) C4'-P energy: -104.850 bonds (distance) P-C4' energy: -121.113 flat angles C4'-P-C4' energy: -123.166 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -146.518 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: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1719.941483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.941483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.941483 (E_RNA) where: Base-Base interactions energy: -1158.891 where: short stacking energy: -484.592 Base-Backbone interact. energy: -1.835 local terms energy: -559.215448 where: bonds (distance) C4'-P energy: -101.490 bonds (distance) P-C4' energy: -124.498 flat angles C4'-P-C4' energy: -135.768 flat angles P-C4'-P energy: -83.471 tors. eta vs tors. theta energy: -113.988 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: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1514.669565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.669565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.669565 (E_RNA) where: Base-Base interactions energy: -1025.546 where: short stacking energy: -416.912 Base-Backbone interact. energy: 0.539 local terms energy: -489.662364 where: bonds (distance) C4'-P energy: -78.056 bonds (distance) P-C4' energy: -124.917 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -74.919 tors. eta vs tors. theta energy: -90.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1237.873263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.873263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.873263 (E_RNA) where: Base-Base interactions energy: -813.504 where: short stacking energy: -362.861 Base-Backbone interact. energy: 1.860 local terms energy: -426.229576 where: bonds (distance) C4'-P energy: -111.410 bonds (distance) P-C4' energy: -102.823 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -56.877 tors. eta vs tors. theta energy: -60.524 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: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -651.303802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.303802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.303802 (E_RNA) where: Base-Base interactions energy: -305.736 where: short stacking energy: -199.966 Base-Backbone interact. energy: -1.211 local terms energy: -344.356934 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -104.778 flat angles C4'-P-C4' energy: -87.129 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: 9.147 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: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2384.647074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.647074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.647074 (E_RNA) where: Base-Base interactions energy: -1672.469 where: short stacking energy: -700.436 Base-Backbone interact. energy: -0.436 local terms energy: -711.741810 where: bonds (distance) C4'-P energy: -122.381 bonds (distance) P-C4' energy: -142.235 flat angles C4'-P-C4' energy: -140.536 flat angles P-C4'-P energy: -105.324 tors. eta vs tors. theta energy: -201.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2352.884601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.884601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.884601 (E_RNA) where: Base-Base interactions energy: -1651.884 where: short stacking energy: -674.715 Base-Backbone interact. energy: 4.104 local terms energy: -705.104877 where: bonds (distance) C4'-P energy: -138.828 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -145.379 flat angles P-C4'-P energy: -98.567 tors. eta vs tors. theta energy: -173.272 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: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2222.144079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.144079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.144079 (E_RNA) where: Base-Base interactions energy: -1564.885 where: short stacking energy: -650.172 Base-Backbone interact. energy: -0.087 local terms energy: -657.172250 where: bonds (distance) C4'-P energy: -127.541 bonds (distance) P-C4' energy: -132.425 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -175.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2188.159965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.159965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.159965 (E_RNA) where: Base-Base interactions energy: -1558.789 where: short stacking energy: -620.011 Base-Backbone interact. energy: -3.138 local terms energy: -626.232829 where: bonds (distance) C4'-P energy: -108.019 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -140.016 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -166.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2042.919481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.919481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.919481 (E_RNA) where: Base-Base interactions energy: -1434.158 where: short stacking energy: -597.726 Base-Backbone interact. energy: -2.914 local terms energy: -605.847144 where: bonds (distance) C4'-P energy: -113.480 bonds (distance) P-C4' energy: -123.994 flat angles C4'-P-C4' energy: -125.149 flat angles P-C4'-P energy: -91.237 tors. eta vs tors. theta energy: -151.987 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: 317 Temperature: 1.150000 Total energy: -1939.058182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.058182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.058182 (E_RNA) where: Base-Base interactions energy: -1326.034 where: short stacking energy: -563.952 Base-Backbone interact. energy: -0.177 local terms energy: -612.846739 where: bonds (distance) C4'-P energy: -118.447 bonds (distance) P-C4' energy: -121.112 flat angles C4'-P-C4' energy: -129.260 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -155.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1716.140308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.140308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.140308 (E_RNA) where: Base-Base interactions energy: -1171.926 where: short stacking energy: -515.773 Base-Backbone interact. energy: -5.805 local terms energy: -538.409862 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -125.766 flat angles C4'-P-C4' energy: -125.338 flat angles P-C4'-P energy: -73.097 tors. eta vs tors. theta energy: -100.243 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: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1532.111757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.111757 (E_RNA) where: Base-Base interactions energy: -1043.633 where: short stacking energy: -473.368 Base-Backbone interact. energy: 2.321 local terms energy: -490.800052 where: bonds (distance) C4'-P energy: -99.121 bonds (distance) P-C4' energy: -101.144 flat angles C4'-P-C4' energy: -130.153 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -100.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1259.548669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.548669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.548669 (E_RNA) where: Base-Base interactions energy: -823.878 where: short stacking energy: -360.482 Base-Backbone interact. energy: 0.815 local terms energy: -436.485930 where: bonds (distance) C4'-P energy: -102.289 bonds (distance) P-C4' energy: -107.211 flat angles C4'-P-C4' energy: -117.474 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -58.963 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: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -676.335126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.335126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.335126 (E_RNA) where: Base-Base interactions energy: -309.363 where: short stacking energy: -202.063 Base-Backbone interact. energy: 0.490 local terms energy: -367.461584 where: bonds (distance) C4'-P energy: -106.721 bonds (distance) P-C4' energy: -109.856 flat angles C4'-P-C4' energy: -100.573 flat angles P-C4'-P energy: -44.783 tors. eta vs tors. theta energy: -5.528 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: 1, replica: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2394.271041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.271041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.271041 (E_RNA) where: Base-Base interactions energy: -1696.423 where: short stacking energy: -689.717 Base-Backbone interact. energy: -1.356 local terms energy: -696.491631 where: bonds (distance) C4'-P energy: -119.421 bonds (distance) P-C4' energy: -122.714 flat angles C4'-P-C4' energy: -159.907 flat angles P-C4'-P energy: -103.411 tors. eta vs tors. theta energy: -191.039 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: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2358.265456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.265456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.265456 (E_RNA) where: Base-Base interactions energy: -1676.373 where: short stacking energy: -703.319 Base-Backbone interact. energy: -3.008 local terms energy: -678.884519 where: bonds (distance) C4'-P energy: -135.867 bonds (distance) P-C4' energy: -129.676 flat angles C4'-P-C4' energy: -139.002 flat angles P-C4'-P energy: -88.619 tors. eta vs tors. theta energy: -185.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2210.903702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.903702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.903702 (E_RNA) where: Base-Base interactions energy: -1543.479 where: short stacking energy: -651.555 Base-Backbone interact. energy: 0.064 local terms energy: -667.488429 where: bonds (distance) C4'-P energy: -120.632 bonds (distance) P-C4' energy: -138.331 flat angles C4'-P-C4' energy: -134.219 flat angles P-C4'-P energy: -88.694 tors. eta vs tors. theta energy: -185.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2204.617114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.617114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.617114 (E_RNA) where: Base-Base interactions energy: -1558.077 where: short stacking energy: -630.376 Base-Backbone interact. energy: -3.523 local terms energy: -643.016765 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -125.671 flat angles C4'-P-C4' energy: -144.770 flat angles P-C4'-P energy: -90.211 tors. eta vs tors. theta energy: -169.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2027.283676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.283676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.283676 (E_RNA) where: Base-Base interactions energy: -1405.049 where: short stacking energy: -604.452 Base-Backbone interact. energy: -3.466 local terms energy: -618.768415 where: bonds (distance) C4'-P energy: -127.260 bonds (distance) P-C4' energy: -122.068 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -76.280 tors. eta vs tors. theta energy: -167.278 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: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1959.619424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.619424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.619424 (E_RNA) where: Base-Base interactions energy: -1360.486 where: short stacking energy: -591.513 Base-Backbone interact. energy: -2.332 local terms energy: -596.801014 where: bonds (distance) C4'-P energy: -121.723 bonds (distance) P-C4' energy: -111.181 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -63.485 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: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1692.094661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.094661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.094661 (E_RNA) where: Base-Base interactions energy: -1157.809 where: short stacking energy: -487.488 Base-Backbone interact. energy: 2.700 local terms energy: -536.986291 where: bonds (distance) C4'-P energy: -105.020 bonds (distance) P-C4' energy: -113.557 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -86.001 tors. eta vs tors. theta energy: -116.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1517.658517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.658517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.658517 (E_RNA) where: Base-Base interactions energy: -1012.510 where: short stacking energy: -444.855 Base-Backbone interact. energy: -2.029 local terms energy: -503.119526 where: bonds (distance) C4'-P energy: -87.922 bonds (distance) P-C4' energy: -121.039 flat angles C4'-P-C4' energy: -116.220 flat angles P-C4'-P energy: -82.021 tors. eta vs tors. theta energy: -95.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1372.485769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.485769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.485769 (E_RNA) where: Base-Base interactions energy: -893.202 where: short stacking energy: -389.219 Base-Backbone interact. energy: 4.551 local terms energy: -483.835117 where: bonds (distance) C4'-P energy: -108.877 bonds (distance) P-C4' energy: -113.942 flat angles C4'-P-C4' energy: -119.062 flat angles P-C4'-P energy: -73.081 tors. eta vs tors. theta energy: -68.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -710.216731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.216731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.216731 (E_RNA) where: Base-Base interactions energy: -333.375 where: short stacking energy: -185.878 Base-Backbone interact. energy: 0.187 local terms energy: -377.029728 where: bonds (distance) C4'-P energy: -100.884 bonds (distance) P-C4' energy: -115.535 flat angles C4'-P-C4' energy: -110.730 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: 2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2393.152178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.152178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.152178 (E_RNA) where: Base-Base interactions energy: -1701.828 where: short stacking energy: -683.719 Base-Backbone interact. energy: -4.481 local terms energy: -686.843228 where: bonds (distance) C4'-P energy: -117.889 bonds (distance) P-C4' energy: -135.747 flat angles C4'-P-C4' energy: -150.717 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -191.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2344.297929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.297929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.297929 (E_RNA) where: Base-Base interactions energy: -1661.678 where: short stacking energy: -683.359 Base-Backbone interact. energy: -2.944 local terms energy: -679.675706 where: bonds (distance) C4'-P energy: -116.461 bonds (distance) P-C4' energy: -134.863 flat angles C4'-P-C4' energy: -146.510 flat angles P-C4'-P energy: -96.541 tors. eta vs tors. theta energy: -185.300 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: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2263.618793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.618793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.618793 (E_RNA) where: Base-Base interactions energy: -1581.895 where: short stacking energy: -645.951 Base-Backbone interact. energy: -2.708 local terms energy: -679.016635 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -128.014 flat angles C4'-P-C4' energy: -150.804 flat angles P-C4'-P energy: -92.689 tors. eta vs tors. theta energy: -181.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2204.768119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.768119 (E_RNA) where: Base-Base interactions energy: -1541.990 where: short stacking energy: -641.887 Base-Backbone interact. energy: -0.398 local terms energy: -662.380310 where: bonds (distance) C4'-P energy: -111.650 bonds (distance) P-C4' energy: -128.514 flat angles C4'-P-C4' energy: -145.302 flat angles P-C4'-P energy: -92.194 tors. eta vs tors. theta energy: -184.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2029.007369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.007369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.007369 (E_RNA) where: Base-Base interactions energy: -1441.346 where: short stacking energy: -592.776 Base-Backbone interact. energy: 0.125 local terms energy: -587.786657 where: bonds (distance) C4'-P energy: -109.760 bonds (distance) P-C4' energy: -107.261 flat angles C4'-P-C4' energy: -137.611 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -152.144 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: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1907.048784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.048784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.048784 (E_RNA) where: Base-Base interactions energy: -1337.904 where: short stacking energy: -554.482 Base-Backbone interact. energy: -1.617 local terms energy: -567.528260 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -74.411 tors. eta vs tors. theta energy: -147.492 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: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1656.807790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.807790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.807790 (E_RNA) where: Base-Base interactions energy: -1166.284 where: short stacking energy: -486.052 Base-Backbone interact. energy: 3.494 local terms energy: -494.017882 where: bonds (distance) C4'-P energy: -101.941 bonds (distance) P-C4' energy: -106.058 flat angles C4'-P-C4' energy: -115.446 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -103.994 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: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1514.914940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.914940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.914940 (E_RNA) where: Base-Base interactions energy: -1030.878 where: short stacking energy: -457.697 Base-Backbone interact. energy: -0.331 local terms energy: -483.705830 where: bonds (distance) C4'-P energy: -95.263 bonds (distance) P-C4' energy: -115.864 flat angles C4'-P-C4' energy: -104.304 flat angles P-C4'-P energy: -70.288 tors. eta vs tors. theta energy: -97.987 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1333.700235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.700235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.700235 (E_RNA) where: Base-Base interactions energy: -873.682 where: short stacking energy: -384.484 Base-Backbone interact. energy: 2.659 local terms energy: -462.677692 where: bonds (distance) C4'-P energy: -118.435 bonds (distance) P-C4' energy: -120.835 flat angles C4'-P-C4' energy: -97.340 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -67.517 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: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -698.944811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.944811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.944811 (E_RNA) where: Base-Base interactions energy: -312.523 where: short stacking energy: -189.490 Base-Backbone interact. energy: -3.869 local terms energy: -382.552929 where: bonds (distance) C4'-P energy: -113.522 bonds (distance) P-C4' energy: -120.712 flat angles C4'-P-C4' energy: -105.821 flat angles P-C4'-P energy: -58.162 tors. eta vs tors. theta energy: 15.664 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: 1, replica: 5 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2386.992413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.992413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.992413 (E_RNA) where: Base-Base interactions energy: -1653.276 where: short stacking energy: -684.285 Base-Backbone interact. energy: -4.913 local terms energy: -728.803711 where: bonds (distance) C4'-P energy: -131.143 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -152.329 flat angles P-C4'-P energy: -104.806 tors. eta vs tors. theta energy: -207.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2381.756959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.756959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.756959 (E_RNA) where: Base-Base interactions energy: -1691.565 where: short stacking energy: -703.715 Base-Backbone interact. energy: -3.849 local terms energy: -686.342921 where: bonds (distance) C4'-P energy: -112.755 bonds (distance) P-C4' energy: -123.743 flat angles C4'-P-C4' energy: -155.192 flat angles P-C4'-P energy: -102.553 tors. eta vs tors. theta energy: -192.101 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: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2234.852884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.852884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.852884 (E_RNA) where: Base-Base interactions energy: -1582.175 where: short stacking energy: -675.990 Base-Backbone interact. energy: -1.886 local terms energy: -650.792449 where: bonds (distance) C4'-P energy: -105.553 bonds (distance) P-C4' energy: -127.054 flat angles C4'-P-C4' energy: -137.552 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -182.311 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: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2208.165704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.165704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.165704 (E_RNA) where: Base-Base interactions energy: -1525.847 where: short stacking energy: -673.349 Base-Backbone interact. energy: 0.501 local terms energy: -682.819670 where: bonds (distance) C4'-P energy: -132.511 bonds (distance) P-C4' energy: -114.759 flat angles C4'-P-C4' energy: -147.434 flat angles P-C4'-P energy: -102.130 tors. eta vs tors. theta energy: -185.985 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: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1996.101570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.101570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.101570 (E_RNA) where: Base-Base interactions energy: -1388.987 where: short stacking energy: -591.668 Base-Backbone interact. energy: -2.760 local terms energy: -604.354483 where: bonds (distance) C4'-P energy: -105.623 bonds (distance) P-C4' energy: -114.622 flat angles C4'-P-C4' energy: -138.327 flat angles P-C4'-P energy: -83.429 tors. eta vs tors. theta energy: -162.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1925.003957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.003957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.003957 (E_RNA) where: Base-Base interactions energy: -1328.904 where: short stacking energy: -562.675 Base-Backbone interact. energy: -4.179 local terms energy: -591.920474 where: bonds (distance) C4'-P energy: -115.761 bonds (distance) P-C4' energy: -113.006 flat angles C4'-P-C4' energy: -137.236 flat angles P-C4'-P energy: -74.416 tors. eta vs tors. theta energy: -151.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1665.181169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.181169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.181169 (E_RNA) where: Base-Base interactions energy: -1170.278 where: short stacking energy: -481.248 Base-Backbone interact. energy: -3.626 local terms energy: -491.276323 where: bonds (distance) C4'-P energy: -98.912 bonds (distance) P-C4' energy: -111.557 flat angles C4'-P-C4' energy: -104.487 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -89.798 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: 8, replica: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1527.397349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.397349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.397349 (E_RNA) where: Base-Base interactions energy: -1004.488 where: short stacking energy: -445.248 Base-Backbone interact. energy: -2.200 local terms energy: -520.709188 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -122.214 flat angles C4'-P-C4' energy: -121.343 flat angles P-C4'-P energy: -76.612 tors. eta vs tors. theta energy: -104.011 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: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1336.874825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.874825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.874825 (E_RNA) where: Base-Base interactions energy: -906.612 where: short stacking energy: -404.284 Base-Backbone interact. energy: -0.056 local terms energy: -430.207069 where: bonds (distance) C4'-P energy: -105.487 bonds (distance) P-C4' energy: -93.968 flat angles C4'-P-C4' energy: -89.821 flat angles P-C4'-P energy: -65.726 tors. eta vs tors. theta energy: -75.205 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: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -730.884150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.884150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.884150 (E_RNA) where: Base-Base interactions energy: -370.259 where: short stacking energy: -221.729 Base-Backbone interact. energy: 5.177 local terms energy: -365.801365 where: bonds (distance) C4'-P energy: -109.969 bonds (distance) P-C4' energy: -104.353 flat angles C4'-P-C4' energy: -81.673 flat angles P-C4'-P energy: -56.416 tors. eta vs tors. theta energy: -13.390 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: 5 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2399.506933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.506933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.506933 (E_RNA) where: Base-Base interactions energy: -1701.514 where: short stacking energy: -698.821 Base-Backbone interact. energy: -4.774 local terms energy: -693.218887 where: bonds (distance) C4'-P energy: -119.913 bonds (distance) P-C4' energy: -132.431 flat angles C4'-P-C4' energy: -155.215 flat angles P-C4'-P energy: -88.737 tors. eta vs tors. theta energy: -196.923 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: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2348.430570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.430570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.430570 (E_RNA) where: Base-Base interactions energy: -1652.470 where: short stacking energy: -676.395 Base-Backbone interact. energy: -2.619 local terms energy: -693.342120 where: bonds (distance) C4'-P energy: -127.854 bonds (distance) P-C4' energy: -131.042 flat angles C4'-P-C4' energy: -145.488 flat angles P-C4'-P energy: -102.187 tors. eta vs tors. theta energy: -186.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2218.848459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.848459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.848459 (E_RNA) where: Base-Base interactions energy: -1557.212 where: short stacking energy: -650.794 Base-Backbone interact. energy: -6.117 local terms energy: -655.518856 where: bonds (distance) C4'-P energy: -116.242 bonds (distance) P-C4' energy: -128.340 flat angles C4'-P-C4' energy: -137.364 flat angles P-C4'-P energy: -94.324 tors. eta vs tors. theta energy: -179.249 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: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2173.411448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.411448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.411448 (E_RNA) where: Base-Base interactions energy: -1541.366 where: short stacking energy: -628.491 Base-Backbone interact. energy: 1.006 local terms energy: -633.051472 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -120.231 flat angles C4'-P-C4' energy: -123.224 flat angles P-C4'-P energy: -87.816 tors. eta vs tors. theta energy: -183.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1985.115327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.115327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.115327 (E_RNA) where: Base-Base interactions energy: -1391.826 where: short stacking energy: -610.095 Base-Backbone interact. energy: -3.219 local terms energy: -590.070302 where: bonds (distance) C4'-P energy: -114.138 bonds (distance) P-C4' energy: -104.418 flat angles C4'-P-C4' energy: -130.728 flat angles P-C4'-P energy: -80.278 tors. eta vs tors. theta energy: -160.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1925.229700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.229700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.229700 (E_RNA) where: Base-Base interactions energy: -1323.487 where: short stacking energy: -564.643 Base-Backbone interact. energy: -2.772 local terms energy: -598.970459 where: bonds (distance) C4'-P energy: -116.573 bonds (distance) P-C4' energy: -115.684 flat angles C4'-P-C4' energy: -144.240 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -148.518 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: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1799.136426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.136426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.136426 (E_RNA) where: Base-Base interactions energy: -1239.578 where: short stacking energy: -503.864 Base-Backbone interact. energy: -3.063 local terms energy: -556.496063 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -127.126 flat angles C4'-P-C4' energy: -129.503 flat angles P-C4'-P energy: -70.247 tors. eta vs tors. theta energy: -127.455 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: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1394.903149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.903149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.903149 (E_RNA) where: Base-Base interactions energy: -926.872 where: short stacking energy: -413.991 Base-Backbone interact. energy: 3.362 local terms energy: -471.392742 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -123.989 flat angles C4'-P-C4' energy: -102.963 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -90.393 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: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1410.821873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.821873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.821873 (E_RNA) where: Base-Base interactions energy: -931.551 where: short stacking energy: -387.287 Base-Backbone interact. energy: 1.681 local terms energy: -480.951678 where: bonds (distance) C4'-P energy: -115.194 bonds (distance) P-C4' energy: -97.884 flat angles C4'-P-C4' energy: -111.152 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -78.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -783.040166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.040166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.040166 (E_RNA) where: Base-Base interactions energy: -391.517 where: short stacking energy: -210.088 Base-Backbone interact. energy: -1.767 local terms energy: -389.756315 where: bonds (distance) C4'-P energy: -91.563 bonds (distance) P-C4' energy: -119.612 flat angles C4'-P-C4' energy: -114.291 flat angles P-C4'-P energy: -51.296 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2410.313468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.313468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.313468 (E_RNA) where: Base-Base interactions energy: -1700.141 where: short stacking energy: -723.756 Base-Backbone interact. energy: -2.782 local terms energy: -707.390550 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -130.098 flat angles C4'-P-C4' energy: -150.838 flat angles P-C4'-P energy: -96.851 tors. eta vs tors. theta energy: -198.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2356.008933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.008933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.008933 (E_RNA) where: Base-Base interactions energy: -1640.464 where: short stacking energy: -679.830 Base-Backbone interact. energy: 1.502 local terms energy: -717.047318 where: bonds (distance) C4'-P energy: -145.258 bonds (distance) P-C4' energy: -132.410 flat angles C4'-P-C4' energy: -142.617 flat angles P-C4'-P energy: -102.137 tors. eta vs tors. theta energy: -194.624 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: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2190.318269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.318269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.318269 (E_RNA) where: Base-Base interactions energy: -1555.751 where: short stacking energy: -641.429 Base-Backbone interact. energy: 0.618 local terms energy: -635.185714 where: bonds (distance) C4'-P energy: -113.797 bonds (distance) P-C4' energy: -132.149 flat angles C4'-P-C4' energy: -133.960 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: -171.717 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: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2170.850041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.850041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.850041 (E_RNA) where: Base-Base interactions energy: -1513.795 where: short stacking energy: -634.921 Base-Backbone interact. energy: -3.225 local terms energy: -653.829508 where: bonds (distance) C4'-P energy: -126.392 bonds (distance) P-C4' energy: -124.362 flat angles C4'-P-C4' energy: -136.965 flat angles P-C4'-P energy: -84.933 tors. eta vs tors. theta energy: -181.177 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: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2044.344925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.344925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.344925 (E_RNA) where: Base-Base interactions energy: -1458.498 where: short stacking energy: -615.884 Base-Backbone interact. energy: 1.635 local terms energy: -587.481700 where: bonds (distance) C4'-P energy: -107.485 bonds (distance) P-C4' energy: -124.085 flat angles C4'-P-C4' energy: -131.331 flat angles P-C4'-P energy: -71.893 tors. eta vs tors. theta energy: -152.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1969.853932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.853932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.853932 (E_RNA) where: Base-Base interactions energy: -1360.694 where: short stacking energy: -562.605 Base-Backbone interact. energy: -1.779 local terms energy: -607.380849 where: bonds (distance) C4'-P energy: -123.193 bonds (distance) P-C4' energy: -111.652 flat angles C4'-P-C4' energy: -140.736 flat angles P-C4'-P energy: -88.687 tors. eta vs tors. theta energy: -143.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1856.660049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.660049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.660049 (E_RNA) where: Base-Base interactions energy: -1276.994 where: short stacking energy: -505.311 Base-Backbone interact. energy: 1.217 local terms energy: -580.883215 where: bonds (distance) C4'-P energy: -125.469 bonds (distance) P-C4' energy: -137.242 flat angles C4'-P-C4' energy: -121.728 flat angles P-C4'-P energy: -72.880 tors. eta vs tors. theta energy: -123.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1390.531520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.531520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.531520 (E_RNA) where: Base-Base interactions energy: -949.652 where: short stacking energy: -399.654 Base-Backbone interact. energy: 1.753 local terms energy: -442.632010 where: bonds (distance) C4'-P energy: -93.335 bonds (distance) P-C4' energy: -109.029 flat angles C4'-P-C4' energy: -102.242 flat angles P-C4'-P energy: -57.871 tors. eta vs tors. theta energy: -80.154 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: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1415.015977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.015977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.015977 (E_RNA) where: Base-Base interactions energy: -931.737 where: short stacking energy: -426.270 Base-Backbone interact. energy: -0.952 local terms energy: -482.326495 where: bonds (distance) C4'-P energy: -95.520 bonds (distance) P-C4' energy: -92.962 flat angles C4'-P-C4' energy: -124.869 flat angles P-C4'-P energy: -70.990 tors. eta vs tors. theta energy: -97.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -855.585688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.585688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.585688 (E_RNA) where: Base-Base interactions energy: -448.666 where: short stacking energy: -252.464 Base-Backbone interact. energy: -0.555 local terms energy: -406.363853 where: bonds (distance) C4'-P energy: -105.887 bonds (distance) P-C4' energy: -121.699 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -64.264 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: 5 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2387.143240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.143240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.143240 (E_RNA) where: Base-Base interactions energy: -1673.102 where: short stacking energy: -705.831 Base-Backbone interact. energy: 0.647 local terms energy: -714.687874 where: bonds (distance) C4'-P energy: -127.697 bonds (distance) P-C4' energy: -138.536 flat angles C4'-P-C4' energy: -151.172 flat angles P-C4'-P energy: -97.530 tors. eta vs tors. theta energy: -199.753 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: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2339.823531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.823531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.823531 (E_RNA) where: Base-Base interactions energy: -1650.320 where: short stacking energy: -689.224 Base-Backbone interact. energy: 3.768 local terms energy: -693.271313 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -120.113 flat angles C4'-P-C4' energy: -154.722 flat angles P-C4'-P energy: -115.122 tors. eta vs tors. theta energy: -188.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2176.000139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.000139 (E_RNA) where: Base-Base interactions energy: -1506.741 where: short stacking energy: -641.208 Base-Backbone interact. energy: -2.474 local terms energy: -666.784892 where: bonds (distance) C4'-P energy: -129.661 bonds (distance) P-C4' energy: -125.151 flat angles C4'-P-C4' energy: -137.394 flat angles P-C4'-P energy: -97.894 tors. eta vs tors. theta energy: -176.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2168.401186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.401186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.401186 (E_RNA) where: Base-Base interactions energy: -1517.530 where: short stacking energy: -627.334 Base-Backbone interact. energy: -5.511 local terms energy: -645.360273 where: bonds (distance) C4'-P energy: -110.239 bonds (distance) P-C4' energy: -120.264 flat angles C4'-P-C4' energy: -135.957 flat angles P-C4'-P energy: -94.829 tors. eta vs tors. theta energy: -184.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2026.489323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.489323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.489323 (E_RNA) where: Base-Base interactions energy: -1418.209 where: short stacking energy: -612.174 Base-Backbone interact. energy: -2.878 local terms energy: -605.402339 where: bonds (distance) C4'-P energy: -109.596 bonds (distance) P-C4' energy: -116.513 flat angles C4'-P-C4' energy: -127.364 flat angles P-C4'-P energy: -85.684 tors. eta vs tors. theta energy: -166.246 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: 323 Temperature: 1.150000 Total energy: -1908.257461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.257461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.257461 (E_RNA) where: Base-Base interactions energy: -1294.655 where: short stacking energy: -543.310 Base-Backbone interact. energy: 0.065 local terms energy: -613.666948 where: bonds (distance) C4'-P energy: -124.667 bonds (distance) P-C4' energy: -136.240 flat angles C4'-P-C4' energy: -127.441 flat angles P-C4'-P energy: -88.650 tors. eta vs tors. theta energy: -136.670 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: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1676.120996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.120996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.120996 (E_RNA) where: Base-Base interactions energy: -1165.417 where: short stacking energy: -482.942 Base-Backbone interact. energy: -2.671 local terms energy: -508.033444 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -114.903 flat angles C4'-P-C4' energy: -125.999 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -98.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1461.982319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.982319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.982319 (E_RNA) where: Base-Base interactions energy: -971.989 where: short stacking energy: -425.616 Base-Backbone interact. energy: -0.698 local terms energy: -489.294682 where: bonds (distance) C4'-P energy: -103.129 bonds (distance) P-C4' energy: -98.655 flat angles C4'-P-C4' energy: -117.699 flat angles P-C4'-P energy: -69.535 tors. eta vs tors. theta energy: -100.278 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: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1306.971197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.971197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.971197 (E_RNA) where: Base-Base interactions energy: -860.199 where: short stacking energy: -377.536 Base-Backbone interact. energy: -1.924 local terms energy: -444.848945 where: bonds (distance) C4'-P energy: -94.411 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -119.338 flat angles P-C4'-P energy: -63.562 tors. eta vs tors. theta energy: -67.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -833.276539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.276539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.276539 (E_RNA) where: Base-Base interactions energy: -410.072 where: short stacking energy: -236.737 Base-Backbone interact. energy: 3.697 local terms energy: -426.901643 where: bonds (distance) C4'-P energy: -107.380 bonds (distance) P-C4' energy: -131.349 flat angles C4'-P-C4' energy: -102.060 flat angles P-C4'-P energy: -51.976 tors. eta vs tors. theta energy: -34.136 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: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2393.156543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.156543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.156543 (E_RNA) where: Base-Base interactions energy: -1675.228 where: short stacking energy: -688.290 Base-Backbone interact. energy: -6.916 local terms energy: -711.012128 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -133.844 flat angles C4'-P-C4' energy: -156.400 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -189.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2370.154949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.154949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.154949 (E_RNA) where: Base-Base interactions energy: -1676.088 where: short stacking energy: -704.678 Base-Backbone interact. energy: 2.769 local terms energy: -696.836173 where: bonds (distance) C4'-P energy: -128.032 bonds (distance) P-C4' energy: -121.660 flat angles C4'-P-C4' energy: -149.522 flat angles P-C4'-P energy: -97.538 tors. eta vs tors. theta energy: -200.085 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: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2236.577347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.577347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.577347 (E_RNA) where: Base-Base interactions energy: -1563.565 where: short stacking energy: -649.505 Base-Backbone interact. energy: -1.876 local terms energy: -671.137115 where: bonds (distance) C4'-P energy: -112.348 bonds (distance) P-C4' energy: -133.935 flat angles C4'-P-C4' energy: -144.484 flat angles P-C4'-P energy: -106.317 tors. eta vs tors. theta energy: -174.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2146.385563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.385563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.385563 (E_RNA) where: Base-Base interactions energy: -1525.480 where: short stacking energy: -632.046 Base-Backbone interact. energy: -1.270 local terms energy: -619.634882 where: bonds (distance) C4'-P energy: -100.629 bonds (distance) P-C4' energy: -106.807 flat angles C4'-P-C4' energy: -139.926 flat angles P-C4'-P energy: -96.950 tors. eta vs tors. theta energy: -175.324 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: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2036.111657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.111657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.111657 (E_RNA) where: Base-Base interactions energy: -1440.604 where: short stacking energy: -608.872 Base-Backbone interact. energy: -3.258 local terms energy: -592.249755 where: bonds (distance) C4'-P energy: -103.885 bonds (distance) P-C4' energy: -125.813 flat angles C4'-P-C4' energy: -124.575 flat angles P-C4'-P energy: -78.867 tors. eta vs tors. theta energy: -159.109 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: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1921.779721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.779721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.779721 (E_RNA) where: Base-Base interactions energy: -1352.014 where: short stacking energy: -559.602 Base-Backbone interact. energy: -1.474 local terms energy: -568.292531 where: bonds (distance) C4'-P energy: -103.419 bonds (distance) P-C4' energy: -111.909 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -82.710 tors. eta vs tors. theta energy: -151.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1744.170622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.170622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.170622 (E_RNA) where: Base-Base interactions energy: -1227.551 where: short stacking energy: -518.707 Base-Backbone interact. energy: 4.329 local terms energy: -520.948899 where: bonds (distance) C4'-P energy: -96.088 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -127.843 flat angles P-C4'-P energy: -71.816 tors. eta vs tors. theta energy: -116.155 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: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1442.900646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.900646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.900646 (E_RNA) where: Base-Base interactions energy: -962.688 where: short stacking energy: -438.962 Base-Backbone interact. energy: 1.050 local terms energy: -481.263031 where: bonds (distance) C4'-P energy: -107.089 bonds (distance) P-C4' energy: -122.951 flat angles C4'-P-C4' energy: -97.786 flat angles P-C4'-P energy: -77.606 tors. eta vs tors. theta energy: -75.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1297.258030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.258030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.258030 (E_RNA) where: Base-Base interactions energy: -845.989 where: short stacking energy: -384.867 Base-Backbone interact. energy: -2.421 local terms energy: -448.847983 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -92.484 flat angles C4'-P-C4' energy: -121.772 flat angles P-C4'-P energy: -67.938 tors. eta vs tors. theta energy: -69.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -765.323996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.323996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.323996 (E_RNA) where: Base-Base interactions energy: -430.932 where: short stacking energy: -237.620 Base-Backbone interact. energy: 1.682 local terms energy: -336.073998 where: bonds (distance) C4'-P energy: -83.759 bonds (distance) P-C4' energy: -108.605 flat angles C4'-P-C4' energy: -97.017 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: 9.138 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: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2395.189045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.189045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.189045 (E_RNA) where: Base-Base interactions energy: -1699.786 where: short stacking energy: -690.715 Base-Backbone interact. energy: -3.697 local terms energy: -691.706150 where: bonds (distance) C4'-P energy: -112.148 bonds (distance) P-C4' energy: -138.190 flat angles C4'-P-C4' energy: -154.070 flat angles P-C4'-P energy: -95.464 tors. eta vs tors. theta energy: -191.834 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: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2345.923581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.923581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.923581 (E_RNA) where: Base-Base interactions energy: -1648.199 where: short stacking energy: -673.335 Base-Backbone interact. energy: -3.308 local terms energy: -694.416896 where: bonds (distance) C4'-P energy: -138.182 bonds (distance) P-C4' energy: -127.193 flat angles C4'-P-C4' energy: -148.544 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -190.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2215.235207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.235207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.235207 (E_RNA) where: Base-Base interactions energy: -1535.275 where: short stacking energy: -661.685 Base-Backbone interact. energy: 3.556 local terms energy: -683.516739 where: bonds (distance) C4'-P energy: -119.446 bonds (distance) P-C4' energy: -131.136 flat angles C4'-P-C4' energy: -154.611 flat angles P-C4'-P energy: -88.180 tors. eta vs tors. theta energy: -190.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2140.454423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.454423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.454423 (E_RNA) where: Base-Base interactions energy: -1533.841 where: short stacking energy: -628.345 Base-Backbone interact. energy: 1.137 local terms energy: -607.749894 where: bonds (distance) C4'-P energy: -107.680 bonds (distance) P-C4' energy: -114.866 flat angles C4'-P-C4' energy: -137.986 flat angles P-C4'-P energy: -85.478 tors. eta vs tors. theta energy: -161.740 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: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2059.047844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.047844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.047844 (E_RNA) where: Base-Base interactions energy: -1448.546 where: short stacking energy: -622.728 Base-Backbone interact. energy: -2.396 local terms energy: -608.106099 where: bonds (distance) C4'-P energy: -113.551 bonds (distance) P-C4' energy: -124.579 flat angles C4'-P-C4' energy: -138.855 flat angles P-C4'-P energy: -85.209 tors. eta vs tors. theta energy: -145.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1958.478960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.478960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.478960 (E_RNA) where: Base-Base interactions energy: -1373.532 where: short stacking energy: -597.231 Base-Backbone interact. energy: -1.378 local terms energy: -583.568896 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -107.491 flat angles C4'-P-C4' energy: -133.195 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -157.901 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: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1768.553407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.553407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.553407 (E_RNA) where: Base-Base interactions energy: -1229.947 where: short stacking energy: -524.616 Base-Backbone interact. energy: -0.968 local terms energy: -537.638983 where: bonds (distance) C4'-P energy: -86.153 bonds (distance) P-C4' energy: -120.707 flat angles C4'-P-C4' energy: -118.146 flat angles P-C4'-P energy: -90.808 tors. eta vs tors. theta energy: -121.824 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: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1440.723780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.723780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.723780 (E_RNA) where: Base-Base interactions energy: -939.717 where: short stacking energy: -421.023 Base-Backbone interact. energy: -1.015 local terms energy: -499.991710 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -126.728 flat angles C4'-P-C4' energy: -110.986 flat angles P-C4'-P energy: -74.112 tors. eta vs tors. theta energy: -94.975 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: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1320.773042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.773042 (E_RNA) where: Base-Base interactions energy: -855.910 where: short stacking energy: -401.777 Base-Backbone interact. energy: 0.601 local terms energy: -465.464401 where: bonds (distance) C4'-P energy: -105.675 bonds (distance) P-C4' energy: -118.551 flat angles C4'-P-C4' energy: -105.209 flat angles P-C4'-P energy: -65.731 tors. eta vs tors. theta energy: -70.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -863.746402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.746402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.746402 (E_RNA) where: Base-Base interactions energy: -461.529 where: short stacking energy: -248.808 Base-Backbone interact. energy: 2.947 local terms energy: -405.164036 where: bonds (distance) C4'-P energy: -112.180 bonds (distance) P-C4' energy: -103.138 flat angles C4'-P-C4' energy: -106.500 flat angles P-C4'-P energy: -63.385 tors. eta vs tors. theta energy: -19.961 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: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2417.393442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.393442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.393442 (E_RNA) where: Base-Base interactions energy: -1708.154 where: short stacking energy: -699.143 Base-Backbone interact. energy: -2.160 local terms energy: -707.079360 where: bonds (distance) C4'-P energy: -131.661 bonds (distance) P-C4' energy: -128.738 flat angles C4'-P-C4' energy: -144.127 flat angles P-C4'-P energy: -109.851 tors. eta vs tors. theta energy: -192.702 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: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2362.878839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.878839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.878839 (E_RNA) where: Base-Base interactions energy: -1694.350 where: short stacking energy: -733.303 Base-Backbone interact. energy: -1.935 local terms energy: -666.593744 where: bonds (distance) C4'-P energy: -122.331 bonds (distance) P-C4' energy: -128.844 flat angles C4'-P-C4' energy: -132.563 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: -195.095 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: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2231.906119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.906119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.906119 (E_RNA) where: Base-Base interactions energy: -1553.906 where: short stacking energy: -649.353 Base-Backbone interact. energy: -4.189 local terms energy: -673.811205 where: bonds (distance) C4'-P energy: -130.690 bonds (distance) P-C4' energy: -126.968 flat angles C4'-P-C4' energy: -146.876 flat angles P-C4'-P energy: -95.646 tors. eta vs tors. theta energy: -173.632 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: 4, replica: 9 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2153.597631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.597631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.597631 (E_RNA) where: Base-Base interactions energy: -1522.209 where: short stacking energy: -627.027 Base-Backbone interact. energy: -2.115 local terms energy: -629.273439 where: bonds (distance) C4'-P energy: -100.414 bonds (distance) P-C4' energy: -113.918 flat angles C4'-P-C4' energy: -151.443 flat angles P-C4'-P energy: -91.052 tors. eta vs tors. theta energy: -172.448 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: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2054.509387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.509387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.509387 (E_RNA) where: Base-Base interactions energy: -1442.900 where: short stacking energy: -613.657 Base-Backbone interact. energy: 1.087 local terms energy: -612.696385 where: bonds (distance) C4'-P energy: -124.266 bonds (distance) P-C4' energy: -130.223 flat angles C4'-P-C4' energy: -129.368 flat angles P-C4'-P energy: -73.393 tors. eta vs tors. theta energy: -155.447 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: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1950.273791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.273791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.273791 (E_RNA) where: Base-Base interactions energy: -1343.461 where: short stacking energy: -577.700 Base-Backbone interact. energy: 3.017 local terms energy: -609.829516 where: bonds (distance) C4'-P energy: -120.504 bonds (distance) P-C4' energy: -103.493 flat angles C4'-P-C4' energy: -137.912 flat angles P-C4'-P energy: -86.037 tors. eta vs tors. theta energy: -161.883 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: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1697.272782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.272782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.272782 (E_RNA) where: Base-Base interactions energy: -1166.920 where: short stacking energy: -499.997 Base-Backbone interact. energy: 8.727 local terms energy: -539.080398 where: bonds (distance) C4'-P energy: -116.014 bonds (distance) P-C4' energy: -122.893 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -67.868 tors. eta vs tors. theta energy: -126.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1415.570663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.570663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.570663 (E_RNA) where: Base-Base interactions energy: -945.213 where: short stacking energy: -412.950 Base-Backbone interact. energy: 3.465 local terms energy: -473.821886 where: bonds (distance) C4'-P energy: -97.847 bonds (distance) P-C4' energy: -91.604 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -80.819 tors. eta vs tors. theta energy: -84.931 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1348.689661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.689661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.689661 (E_RNA) where: Base-Base interactions energy: -902.491 where: short stacking energy: -399.737 Base-Backbone interact. energy: 0.765 local terms energy: -446.962954 where: bonds (distance) C4'-P energy: -97.687 bonds (distance) P-C4' energy: -105.555 flat angles C4'-P-C4' energy: -101.311 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -75.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -792.673520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.673520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.673520 (E_RNA) where: Base-Base interactions energy: -413.388 where: short stacking energy: -207.305 Base-Backbone interact. energy: -2.401 local terms energy: -376.885415 where: bonds (distance) C4'-P energy: -110.308 bonds (distance) P-C4' energy: -103.694 flat angles C4'-P-C4' energy: -99.839 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -4.052 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: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2419.044699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.044699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.044699 (E_RNA) where: Base-Base interactions energy: -1719.292 where: short stacking energy: -711.278 Base-Backbone interact. energy: 1.654 local terms energy: -701.406234 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -127.222 flat angles C4'-P-C4' energy: -156.928 flat angles P-C4'-P energy: -103.785 tors. eta vs tors. theta energy: -192.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2319.187920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.187920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.187920 (E_RNA) where: Base-Base interactions energy: -1623.878 where: short stacking energy: -672.081 Base-Backbone interact. energy: -2.407 local terms energy: -692.902892 where: bonds (distance) C4'-P energy: -124.412 bonds (distance) P-C4' energy: -113.748 flat angles C4'-P-C4' energy: -150.989 flat angles P-C4'-P energy: -108.655 tors. eta vs tors. theta energy: -195.099 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: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2227.471244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.471244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.471244 (E_RNA) where: Base-Base interactions energy: -1571.973 where: short stacking energy: -647.755 Base-Backbone interact. energy: -5.456 local terms energy: -650.042201 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -142.651 flat angles C4'-P-C4' energy: -131.736 flat angles P-C4'-P energy: -84.995 tors. eta vs tors. theta energy: -163.450 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: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2136.536394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.536394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.536394 (E_RNA) where: Base-Base interactions energy: -1478.029 where: short stacking energy: -630.111 Base-Backbone interact. energy: -1.838 local terms energy: -656.668882 where: bonds (distance) C4'-P energy: -122.986 bonds (distance) P-C4' energy: -121.017 flat angles C4'-P-C4' energy: -135.829 flat angles P-C4'-P energy: -94.352 tors. eta vs tors. theta energy: -182.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2025.032020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.032020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.032020 (E_RNA) where: Base-Base interactions energy: -1420.071 where: short stacking energy: -619.469 Base-Backbone interact. energy: -2.382 local terms energy: -602.578451 where: bonds (distance) C4'-P energy: -96.677 bonds (distance) P-C4' energy: -123.362 flat angles C4'-P-C4' energy: -132.241 flat angles P-C4'-P energy: -87.658 tors. eta vs tors. theta energy: -162.640 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: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1935.326322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.326322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.326322 (E_RNA) where: Base-Base interactions energy: -1333.012 where: short stacking energy: -560.083 Base-Backbone interact. energy: -0.346 local terms energy: -601.967638 where: bonds (distance) C4'-P energy: -108.064 bonds (distance) P-C4' energy: -117.522 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -81.386 tors. eta vs tors. theta energy: -156.183 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: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1751.441733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.441733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.441733 (E_RNA) where: Base-Base interactions energy: -1201.706 where: short stacking energy: -516.237 Base-Backbone interact. energy: -2.895 local terms energy: -546.841513 where: bonds (distance) C4'-P energy: -105.125 bonds (distance) P-C4' energy: -115.316 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -78.503 tors. eta vs tors. theta energy: -122.364 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: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1465.620856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.620856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.620856 (E_RNA) where: Base-Base interactions energy: -971.572 where: short stacking energy: -418.820 Base-Backbone interact. energy: -1.336 local terms energy: -492.712728 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -111.633 flat angles C4'-P-C4' energy: -127.307 flat angles P-C4'-P energy: -70.372 tors. eta vs tors. theta energy: -89.033 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: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1321.190629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.190629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.190629 (E_RNA) where: Base-Base interactions energy: -872.603 where: short stacking energy: -385.531 Base-Backbone interact. energy: 0.506 local terms energy: -449.093642 where: bonds (distance) C4'-P energy: -120.404 bonds (distance) P-C4' energy: -93.280 flat angles C4'-P-C4' energy: -109.937 flat angles P-C4'-P energy: -66.311 tors. eta vs tors. theta energy: -59.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -737.212623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.212623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.212623 (E_RNA) where: Base-Base interactions energy: -406.182 where: short stacking energy: -234.554 Base-Backbone interact. energy: 0.701 local terms energy: -331.731625 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -100.216 flat angles C4'-P-C4' energy: -92.617 flat angles P-C4'-P energy: -42.571 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2405.622823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.622823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.622823 (E_RNA) where: Base-Base interactions energy: -1700.716 where: short stacking energy: -726.417 Base-Backbone interact. energy: 0.486 local terms energy: -705.393115 where: bonds (distance) C4'-P energy: -131.347 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -143.256 flat angles P-C4'-P energy: -107.219 tors. eta vs tors. theta energy: -195.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2338.348339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.348339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.348339 (E_RNA) where: Base-Base interactions energy: -1665.480 where: short stacking energy: -694.643 Base-Backbone interact. energy: -2.613 local terms energy: -670.254935 where: bonds (distance) C4'-P energy: -123.570 bonds (distance) P-C4' energy: -114.190 flat angles C4'-P-C4' energy: -142.173 flat angles P-C4'-P energy: -101.656 tors. eta vs tors. theta energy: -188.666 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: 3, replica: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2203.145645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.145645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.145645 (E_RNA) where: Base-Base interactions energy: -1558.356 where: short stacking energy: -661.950 Base-Backbone interact. energy: 2.013 local terms energy: -646.802219 where: bonds (distance) C4'-P energy: -115.304 bonds (distance) P-C4' energy: -116.616 flat angles C4'-P-C4' energy: -143.907 flat angles P-C4'-P energy: -92.267 tors. eta vs tors. theta energy: -178.709 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: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2168.155071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.155071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.155071 (E_RNA) where: Base-Base interactions energy: -1525.737 where: short stacking energy: -632.532 Base-Backbone interact. energy: -4.852 local terms energy: -637.566355 where: bonds (distance) C4'-P energy: -113.715 bonds (distance) P-C4' energy: -106.195 flat angles C4'-P-C4' energy: -143.809 flat angles P-C4'-P energy: -97.385 tors. eta vs tors. theta energy: -176.462 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: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2032.793262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.793262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.793262 (E_RNA) where: Base-Base interactions energy: -1413.713 where: short stacking energy: -596.731 Base-Backbone interact. energy: -2.218 local terms energy: -616.862661 where: bonds (distance) C4'-P energy: -111.152 bonds (distance) P-C4' energy: -116.435 flat angles C4'-P-C4' energy: -142.483 flat angles P-C4'-P energy: -83.278 tors. eta vs tors. theta energy: -163.515 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: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1915.300876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.300876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.300876 (E_RNA) where: Base-Base interactions energy: -1325.537 where: short stacking energy: -562.659 Base-Backbone interact. energy: -4.894 local terms energy: -584.869917 where: bonds (distance) C4'-P energy: -110.700 bonds (distance) P-C4' energy: -125.198 flat angles C4'-P-C4' energy: -116.558 flat angles P-C4'-P energy: -83.820 tors. eta vs tors. theta energy: -148.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1734.803191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.803191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.803191 (E_RNA) where: Base-Base interactions energy: -1212.282 where: short stacking energy: -513.135 Base-Backbone interact. energy: -1.998 local terms energy: -520.522745 where: bonds (distance) C4'-P energy: -102.499 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -123.591 flat angles P-C4'-P energy: -59.073 tors. eta vs tors. theta energy: -115.919 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: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1435.540735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.540735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.540735 (E_RNA) where: Base-Base interactions energy: -949.397 where: short stacking energy: -394.539 Base-Backbone interact. energy: -0.937 local terms energy: -485.207074 where: bonds (distance) C4'-P energy: -108.368 bonds (distance) P-C4' energy: -104.854 flat angles C4'-P-C4' energy: -115.094 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -80.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1300.638936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.638936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.638936 (E_RNA) where: Base-Base interactions energy: -834.151 where: short stacking energy: -396.959 Base-Backbone interact. energy: -4.758 local terms energy: -461.729887 where: bonds (distance) C4'-P energy: -100.475 bonds (distance) P-C4' energy: -117.945 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -66.346 tors. eta vs tors. theta energy: -72.499 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: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -794.901653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.901653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.901653 (E_RNA) where: Base-Base interactions energy: -429.367 where: short stacking energy: -232.295 Base-Backbone interact. energy: 1.083 local terms energy: -366.617238 where: bonds (distance) C4'-P energy: -93.514 bonds (distance) P-C4' energy: -100.264 flat angles C4'-P-C4' energy: -104.203 flat angles P-C4'-P energy: -51.268 tors. eta vs tors. theta energy: -17.368 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: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2382.338017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.338017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.338017 (E_RNA) where: Base-Base interactions energy: -1670.282 where: short stacking energy: -700.857 Base-Backbone interact. energy: -4.372 local terms energy: -707.683751 where: bonds (distance) C4'-P energy: -134.200 bonds (distance) P-C4' energy: -142.095 flat angles C4'-P-C4' energy: -143.614 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -194.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2321.308126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.308126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.308126 (E_RNA) where: Base-Base interactions energy: -1621.883 where: short stacking energy: -677.686 Base-Backbone interact. energy: -2.343 local terms energy: -697.082327 where: bonds (distance) C4'-P energy: -133.101 bonds (distance) P-C4' energy: -129.418 flat angles C4'-P-C4' energy: -146.071 flat angles P-C4'-P energy: -93.190 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: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2234.846044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.846044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.846044 (E_RNA) where: Base-Base interactions energy: -1581.584 where: short stacking energy: -665.416 Base-Backbone interact. energy: -3.971 local terms energy: -649.290729 where: bonds (distance) C4'-P energy: -114.797 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -140.556 flat angles P-C4'-P energy: -88.277 tors. eta vs tors. theta energy: -184.617 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: 4, replica: 9 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2153.135986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.135986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.135986 (E_RNA) where: Base-Base interactions energy: -1503.020 where: short stacking energy: -645.394 Base-Backbone interact. energy: 0.584 local terms energy: -650.700501 where: bonds (distance) C4'-P energy: -113.712 bonds (distance) P-C4' energy: -128.362 flat angles C4'-P-C4' energy: -147.102 flat angles P-C4'-P energy: -86.498 tors. eta vs tors. theta energy: -175.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2026.208770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.208770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.208770 (E_RNA) where: Base-Base interactions energy: -1407.161 where: short stacking energy: -606.985 Base-Backbone interact. energy: -3.131 local terms energy: -615.917301 where: bonds (distance) C4'-P energy: -113.067 bonds (distance) P-C4' energy: -120.898 flat angles C4'-P-C4' energy: -128.564 flat angles P-C4'-P energy: -91.828 tors. eta vs tors. theta energy: -161.560 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: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1900.779480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.779480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.779480 (E_RNA) where: Base-Base interactions energy: -1329.146 where: short stacking energy: -557.471 Base-Backbone interact. energy: -5.271 local terms energy: -566.362104 where: bonds (distance) C4'-P energy: -103.076 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -115.028 flat angles P-C4'-P energy: -83.693 tors. eta vs tors. theta energy: -146.260 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: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1702.795996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.795996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.795996 (E_RNA) where: Base-Base interactions energy: -1153.838 where: short stacking energy: -506.559 Base-Backbone interact. energy: -1.868 local terms energy: -547.089843 where: bonds (distance) C4'-P energy: -114.421 bonds (distance) P-C4' energy: -113.178 flat angles C4'-P-C4' energy: -128.845 flat angles P-C4'-P energy: -75.494 tors. eta vs tors. theta energy: -115.151 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: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1514.115552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.115552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.115552 (E_RNA) where: Base-Base interactions energy: -1027.209 where: short stacking energy: -423.781 Base-Backbone interact. energy: -4.334 local terms energy: -482.571923 where: bonds (distance) C4'-P energy: -86.742 bonds (distance) P-C4' energy: -113.272 flat angles C4'-P-C4' energy: -119.277 flat angles P-C4'-P energy: -69.681 tors. eta vs tors. theta energy: -93.600 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: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1327.926896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.926896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.926896 (E_RNA) where: Base-Base interactions energy: -864.860 where: short stacking energy: -393.823 Base-Backbone interact. energy: 2.371 local terms energy: -465.437944 where: bonds (distance) C4'-P energy: -110.091 bonds (distance) P-C4' energy: -106.567 flat angles C4'-P-C4' energy: -117.854 flat angles P-C4'-P energy: -72.956 tors. eta vs tors. theta energy: -57.970 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -772.154068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.154068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.154068 (E_RNA) where: Base-Base interactions energy: -404.792 where: short stacking energy: -217.998 Base-Backbone interact. energy: 0.345 local terms energy: -367.706941 where: bonds (distance) C4'-P energy: -97.917 bonds (distance) P-C4' energy: -101.925 flat angles C4'-P-C4' energy: -104.963 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2386.426304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.426304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.426304 (E_RNA) where: Base-Base interactions energy: -1668.832 where: short stacking energy: -693.539 Base-Backbone interact. energy: -3.709 local terms energy: -713.884846 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -135.102 flat angles C4'-P-C4' energy: -149.620 flat angles P-C4'-P energy: -94.875 tors. eta vs tors. theta energy: -185.262 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2316.811477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.811477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.811477 (E_RNA) where: Base-Base interactions energy: -1648.731 where: short stacking energy: -706.288 Base-Backbone interact. energy: 0.945 local terms energy: -669.024609 where: bonds (distance) C4'-P energy: -132.961 bonds (distance) P-C4' energy: -108.997 flat angles C4'-P-C4' energy: -142.783 flat angles P-C4'-P energy: -84.603 tors. eta vs tors. theta energy: -199.680 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: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2199.710840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.710840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.710840 (E_RNA) where: Base-Base interactions energy: -1559.109 where: short stacking energy: -641.952 Base-Backbone interact. energy: -2.116 local terms energy: -638.486436 where: bonds (distance) C4'-P energy: -106.228 bonds (distance) P-C4' energy: -116.630 flat angles C4'-P-C4' energy: -141.615 flat angles P-C4'-P energy: -102.095 tors. eta vs tors. theta energy: -171.919 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: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2191.729403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.729403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.729403 (E_RNA) where: Base-Base interactions energy: -1531.278 where: short stacking energy: -646.425 Base-Backbone interact. energy: 0.024 local terms energy: -660.475111 where: bonds (distance) C4'-P energy: -120.856 bonds (distance) P-C4' energy: -125.528 flat angles C4'-P-C4' energy: -143.173 flat angles P-C4'-P energy: -93.855 tors. eta vs tors. theta energy: -177.064 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: 5, replica: 8 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2048.853942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.853942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.853942 (E_RNA) where: Base-Base interactions energy: -1421.244 where: short stacking energy: -580.964 Base-Backbone interact. energy: -0.138 local terms energy: -627.472119 where: bonds (distance) C4'-P energy: -128.415 bonds (distance) P-C4' energy: -115.183 flat angles C4'-P-C4' energy: -136.113 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -164.143 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: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1936.074244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.074244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.074244 (E_RNA) where: Base-Base interactions energy: -1344.165 where: short stacking energy: -576.743 Base-Backbone interact. energy: -2.875 local terms energy: -589.034054 where: bonds (distance) C4'-P energy: -104.550 bonds (distance) P-C4' energy: -118.752 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -90.352 tors. eta vs tors. theta energy: -155.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1663.257055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.257055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.257055 (E_RNA) where: Base-Base interactions energy: -1128.370 where: short stacking energy: -490.621 Base-Backbone interact. energy: -1.045 local terms energy: -533.841599 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -127.237 flat angles C4'-P-C4' energy: -123.802 flat angles P-C4'-P energy: -84.904 tors. eta vs tors. theta energy: -114.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1512.551659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.551659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.551659 (E_RNA) where: Base-Base interactions energy: -1018.897 where: short stacking energy: -433.393 Base-Backbone interact. energy: -1.184 local terms energy: -492.470346 where: bonds (distance) C4'-P energy: -100.225 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -116.090 flat angles P-C4'-P energy: -78.985 tors. eta vs tors. theta energy: -85.328 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: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1260.501681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.501681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.501681 (E_RNA) where: Base-Base interactions energy: -794.829 where: short stacking energy: -348.360 Base-Backbone interact. energy: 0.153 local terms energy: -465.825855 where: bonds (distance) C4'-P energy: -110.111 bonds (distance) P-C4' energy: -112.309 flat angles C4'-P-C4' energy: -101.928 flat angles P-C4'-P energy: -74.402 tors. eta vs tors. theta energy: -67.075 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: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -687.445205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.445205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.445205 (E_RNA) where: Base-Base interactions energy: -352.690 where: short stacking energy: -214.804 Base-Backbone interact. energy: -1.506 local terms energy: -333.248486 where: bonds (distance) C4'-P energy: -86.546 bonds (distance) P-C4' energy: -103.084 flat angles C4'-P-C4' energy: -101.594 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: 10.665 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: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2392.091197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.091197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.091197 (E_RNA) where: Base-Base interactions energy: -1678.276 where: short stacking energy: -708.816 Base-Backbone interact. energy: -3.127 local terms energy: -710.688467 where: bonds (distance) C4'-P energy: -135.492 bonds (distance) P-C4' energy: -135.654 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -92.367 tors. eta vs tors. theta energy: -194.471 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: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2337.635225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.635225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.635225 (E_RNA) where: Base-Base interactions energy: -1627.065 where: short stacking energy: -666.174 Base-Backbone interact. energy: -2.841 local terms energy: -707.729073 where: bonds (distance) C4'-P energy: -120.609 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -149.501 flat angles P-C4'-P energy: -102.797 tors. eta vs tors. theta energy: -196.822 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: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2246.709884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.709884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.709884 (E_RNA) where: Base-Base interactions energy: -1579.611 where: short stacking energy: -668.934 Base-Backbone interact. energy: -4.876 local terms energy: -662.222827 where: bonds (distance) C4'-P energy: -114.329 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -144.240 flat angles P-C4'-P energy: -98.638 tors. eta vs tors. theta energy: -176.237 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: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2168.640784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.640784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.640784 (E_RNA) where: Base-Base interactions energy: -1526.286 where: short stacking energy: -634.210 Base-Backbone interact. energy: -2.917 local terms energy: -639.437591 where: bonds (distance) C4'-P energy: -111.368 bonds (distance) P-C4' energy: -126.070 flat angles C4'-P-C4' energy: -138.471 flat angles P-C4'-P energy: -96.566 tors. eta vs tors. theta energy: -166.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1989.355656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.355656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.355656 (E_RNA) where: Base-Base interactions energy: -1378.952 where: short stacking energy: -586.535 Base-Backbone interact. energy: -2.313 local terms energy: -608.090204 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -111.663 flat angles C4'-P-C4' energy: -127.564 flat angles P-C4'-P energy: -90.760 tors. eta vs tors. theta energy: -158.789 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: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1934.805808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.805808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.805808 (E_RNA) where: Base-Base interactions energy: -1334.129 where: short stacking energy: -539.303 Base-Backbone interact. energy: -2.843 local terms energy: -597.834078 where: bonds (distance) C4'-P energy: -114.667 bonds (distance) P-C4' energy: -123.168 flat angles C4'-P-C4' energy: -137.990 flat angles P-C4'-P energy: -76.399 tors. eta vs tors. theta energy: -145.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1653.664681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.664681 (E_RNA) where: Base-Base interactions energy: -1130.701 where: short stacking energy: -480.846 Base-Backbone interact. energy: -0.464 local terms energy: -522.500454 where: bonds (distance) C4'-P energy: -102.944 bonds (distance) P-C4' energy: -121.095 flat angles C4'-P-C4' energy: -118.411 flat angles P-C4'-P energy: -81.222 tors. eta vs tors. theta energy: -98.829 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: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1514.144179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.144179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.144179 (E_RNA) where: Base-Base interactions energy: -1017.741 where: short stacking energy: -440.292 Base-Backbone interact. energy: 4.017 local terms energy: -500.419545 where: bonds (distance) C4'-P energy: -99.301 bonds (distance) P-C4' energy: -115.519 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -72.750 tors. eta vs tors. theta energy: -93.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1276.805634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.805634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.805634 (E_RNA) where: Base-Base interactions energy: -813.027 where: short stacking energy: -373.643 Base-Backbone interact. energy: 3.092 local terms energy: -466.870829 where: bonds (distance) C4'-P energy: -108.440 bonds (distance) P-C4' energy: -133.290 flat angles C4'-P-C4' energy: -96.425 flat angles P-C4'-P energy: -56.785 tors. eta vs tors. theta energy: -71.932 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: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -701.413676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.413676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.413676 (E_RNA) where: Base-Base interactions energy: -349.162 where: short stacking energy: -196.604 Base-Backbone interact. energy: 4.131 local terms energy: -356.382347 where: bonds (distance) C4'-P energy: -120.224 bonds (distance) P-C4' energy: -100.590 flat angles C4'-P-C4' energy: -95.477 flat angles P-C4'-P energy: -50.880 tors. eta vs tors. theta energy: 10.788 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: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2412.891968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.891968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.891968 (E_RNA) where: Base-Base interactions energy: -1711.027 where: short stacking energy: -678.427 Base-Backbone interact. energy: -1.361 local terms energy: -700.503771 where: bonds (distance) C4'-P energy: -114.325 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -151.267 flat angles P-C4'-P energy: -107.540 tors. eta vs tors. theta energy: -188.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2373.999689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.999689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.999689 (E_RNA) where: Base-Base interactions energy: -1663.621 where: short stacking energy: -703.114 Base-Backbone interact. energy: -2.198 local terms energy: -708.180723 where: bonds (distance) C4'-P energy: -138.783 bonds (distance) P-C4' energy: -133.201 flat angles C4'-P-C4' energy: -147.966 flat angles P-C4'-P energy: -88.092 tors. eta vs tors. theta energy: -200.138 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: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2244.926273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.926273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.926273 (E_RNA) where: Base-Base interactions energy: -1582.832 where: short stacking energy: -657.934 Base-Backbone interact. energy: -6.820 local terms energy: -655.274773 where: bonds (distance) C4'-P energy: -114.947 bonds (distance) P-C4' energy: -129.147 flat angles C4'-P-C4' energy: -149.229 flat angles P-C4'-P energy: -82.817 tors. eta vs tors. theta energy: -179.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2153.969385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.969385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.969385 (E_RNA) where: Base-Base interactions energy: -1498.615 where: short stacking energy: -611.890 Base-Backbone interact. energy: -0.792 local terms energy: -654.562435 where: bonds (distance) C4'-P energy: -123.911 bonds (distance) P-C4' energy: -127.698 flat angles C4'-P-C4' energy: -137.747 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -163.771 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: 5, replica: 8 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2000.674572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.674572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.674572 (E_RNA) where: Base-Base interactions energy: -1409.921 where: short stacking energy: -591.306 Base-Backbone interact. energy: -0.249 local terms energy: -590.504521 where: bonds (distance) C4'-P energy: -118.369 bonds (distance) P-C4' energy: -100.664 flat angles C4'-P-C4' energy: -134.024 flat angles P-C4'-P energy: -88.232 tors. eta vs tors. theta energy: -149.216 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: 332 Temperature: 1.150000 Total energy: -1904.282996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.282996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.282996 (E_RNA) where: Base-Base interactions energy: -1287.102 where: short stacking energy: -567.480 Base-Backbone interact. energy: -3.409 local terms energy: -613.772598 where: bonds (distance) C4'-P energy: -97.642 bonds (distance) P-C4' energy: -129.193 flat angles C4'-P-C4' energy: -142.789 flat angles P-C4'-P energy: -92.114 tors. eta vs tors. theta energy: -152.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1677.404723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.404723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.404723 (E_RNA) where: Base-Base interactions energy: -1125.591 where: short stacking energy: -474.327 Base-Backbone interact. energy: -3.651 local terms energy: -548.162767 where: bonds (distance) C4'-P energy: -109.768 bonds (distance) P-C4' energy: -126.160 flat angles C4'-P-C4' energy: -115.593 flat angles P-C4'-P energy: -76.727 tors. eta vs tors. theta energy: -119.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1507.246535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.246535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.246535 (E_RNA) where: Base-Base interactions energy: -996.285 where: short stacking energy: -421.166 Base-Backbone interact. energy: -3.292 local terms energy: -507.670477 where: bonds (distance) C4'-P energy: -102.264 bonds (distance) P-C4' energy: -117.747 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -97.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1237.214393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.214393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.214393 (E_RNA) where: Base-Base interactions energy: -780.218 where: short stacking energy: -378.820 Base-Backbone interact. energy: 2.427 local terms energy: -459.422475 where: bonds (distance) C4'-P energy: -97.321 bonds (distance) P-C4' energy: -112.646 flat angles C4'-P-C4' energy: -114.631 flat angles P-C4'-P energy: -74.193 tors. eta vs tors. theta energy: -60.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -738.370319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.370319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.370319 (E_RNA) where: Base-Base interactions energy: -390.643 where: short stacking energy: -227.581 Base-Backbone interact. energy: -1.026 local terms energy: -346.701230 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -103.733 flat angles C4'-P-C4' energy: -95.955 flat angles P-C4'-P energy: -39.016 tors. eta vs tors. theta energy: -5.229 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: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2399.186869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.186869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.186869 (E_RNA) where: Base-Base interactions energy: -1685.867 where: short stacking energy: -696.608 Base-Backbone interact. energy: -1.875 local terms energy: -711.444497 where: bonds (distance) C4'-P energy: -137.571 bonds (distance) P-C4' energy: -143.663 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -98.198 tors. eta vs tors. theta energy: -188.165 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: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2348.962792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.962792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.962792 (E_RNA) where: Base-Base interactions energy: -1631.576 where: short stacking energy: -698.514 Base-Backbone interact. energy: 0.217 local terms energy: -717.603443 where: bonds (distance) C4'-P energy: -131.388 bonds (distance) P-C4' energy: -125.653 flat angles C4'-P-C4' energy: -159.960 flat angles P-C4'-P energy: -102.103 tors. eta vs tors. theta energy: -198.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2263.494065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.494065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.494065 (E_RNA) where: Base-Base interactions energy: -1603.079 where: short stacking energy: -685.257 Base-Backbone interact. energy: -0.799 local terms energy: -659.615699 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -138.204 flat angles C4'-P-C4' energy: -147.617 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -184.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2167.497144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.497144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.497144 (E_RNA) where: Base-Base interactions energy: -1534.734 where: short stacking energy: -663.237 Base-Backbone interact. energy: -2.060 local terms energy: -630.703396 where: bonds (distance) C4'-P energy: -122.911 bonds (distance) P-C4' energy: -101.896 flat angles C4'-P-C4' energy: -146.465 flat angles P-C4'-P energy: -78.255 tors. eta vs tors. theta energy: -181.176 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: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2102.103602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.103602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.103602 (E_RNA) where: Base-Base interactions energy: -1465.116 where: short stacking energy: -621.994 Base-Backbone interact. energy: -4.850 local terms energy: -632.137570 where: bonds (distance) C4'-P energy: -120.252 bonds (distance) P-C4' energy: -129.015 flat angles C4'-P-C4' energy: -134.511 flat angles P-C4'-P energy: -87.067 tors. eta vs tors. theta energy: -161.292 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: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1912.345659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.345659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.345659 (E_RNA) where: Base-Base interactions energy: -1342.192 where: short stacking energy: -571.009 Base-Backbone interact. energy: 4.882 local terms energy: -575.035343 where: bonds (distance) C4'-P energy: -115.423 bonds (distance) P-C4' energy: -92.600 flat angles C4'-P-C4' energy: -135.641 flat angles P-C4'-P energy: -83.064 tors. eta vs tors. theta energy: -148.307 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: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1664.172328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.172328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.172328 (E_RNA) where: Base-Base interactions energy: -1151.180 where: short stacking energy: -500.872 Base-Backbone interact. energy: -1.073 local terms energy: -511.919661 where: bonds (distance) C4'-P energy: -105.251 bonds (distance) P-C4' energy: -102.393 flat angles C4'-P-C4' energy: -122.581 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -114.576 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: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1577.415965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.415965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.415965 (E_RNA) where: Base-Base interactions energy: -1089.743 where: short stacking energy: -453.179 Base-Backbone interact. energy: -5.101 local terms energy: -482.571849 where: bonds (distance) C4'-P energy: -112.462 bonds (distance) P-C4' energy: -96.680 flat angles C4'-P-C4' energy: -114.870 flat angles P-C4'-P energy: -66.999 tors. eta vs tors. theta energy: -91.560 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: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1220.693831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.693831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.693831 (E_RNA) where: Base-Base interactions energy: -769.605 where: short stacking energy: -346.344 Base-Backbone interact. energy: -0.221 local terms energy: -450.867984 where: bonds (distance) C4'-P energy: -120.030 bonds (distance) P-C4' energy: -98.780 flat angles C4'-P-C4' energy: -107.340 flat angles P-C4'-P energy: -64.928 tors. eta vs tors. theta energy: -59.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -735.004783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.004783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.004783 (E_RNA) where: Base-Base interactions energy: -376.914 where: short stacking energy: -249.212 Base-Backbone interact. energy: 1.333 local terms energy: -359.423951 where: bonds (distance) C4'-P energy: -116.267 bonds (distance) P-C4' energy: -101.175 flat angles C4'-P-C4' energy: -71.469 flat angles P-C4'-P energy: -60.556 tors. eta vs tors. theta energy: -9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2397.687221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.687221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.687221 (E_RNA) where: Base-Base interactions energy: -1690.598 where: short stacking energy: -713.351 Base-Backbone interact. energy: -1.731 local terms energy: -705.358397 where: bonds (distance) C4'-P energy: -120.761 bonds (distance) P-C4' energy: -134.408 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -96.560 tors. eta vs tors. theta energy: -209.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2324.972470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.972470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.972470 (E_RNA) where: Base-Base interactions energy: -1641.512 where: short stacking energy: -684.829 Base-Backbone interact. energy: 0.583 local terms energy: -684.043379 where: bonds (distance) C4'-P energy: -121.533 bonds (distance) P-C4' energy: -122.385 flat angles C4'-P-C4' energy: -153.407 flat angles P-C4'-P energy: -96.314 tors. eta vs tors. theta energy: -190.404 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: 3, replica: 9 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2217.904032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.904032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.904032 (E_RNA) where: Base-Base interactions energy: -1547.978 where: short stacking energy: -655.856 Base-Backbone interact. energy: -2.181 local terms energy: -667.744161 where: bonds (distance) C4'-P energy: -120.703 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -142.100 flat angles P-C4'-P energy: -93.099 tors. eta vs tors. theta energy: -182.522 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: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2188.617506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.617506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.617506 (E_RNA) where: Base-Base interactions energy: -1540.850 where: short stacking energy: -638.429 Base-Backbone interact. energy: -3.264 local terms energy: -644.503044 where: bonds (distance) C4'-P energy: -116.748 bonds (distance) P-C4' energy: -114.473 flat angles C4'-P-C4' energy: -151.928 flat angles P-C4'-P energy: -86.423 tors. eta vs tors. theta energy: -174.931 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: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2115.053036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.053036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.053036 (E_RNA) where: Base-Base interactions energy: -1491.541 where: short stacking energy: -641.434 Base-Backbone interact. energy: 0.008 local terms energy: -623.519656 where: bonds (distance) C4'-P energy: -115.371 bonds (distance) P-C4' energy: -121.469 flat angles C4'-P-C4' energy: -123.859 flat angles P-C4'-P energy: -86.477 tors. eta vs tors. theta energy: -176.342 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: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1899.600937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.600937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.600937 (E_RNA) where: Base-Base interactions energy: -1350.448 where: short stacking energy: -564.384 Base-Backbone interact. energy: -4.201 local terms energy: -544.952131 where: bonds (distance) C4'-P energy: -111.019 bonds (distance) P-C4' energy: -106.059 flat angles C4'-P-C4' energy: -121.704 flat angles P-C4'-P energy: -62.367 tors. eta vs tors. theta energy: -143.803 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: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1673.896740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.896740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.896740 (E_RNA) where: Base-Base interactions energy: -1142.816 where: short stacking energy: -482.083 Base-Backbone interact. energy: 1.842 local terms energy: -532.922592 where: bonds (distance) C4'-P energy: -120.039 bonds (distance) P-C4' energy: -94.238 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -78.964 tors. eta vs tors. theta energy: -112.243 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: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1596.045587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.045587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.045587 (E_RNA) where: Base-Base interactions energy: -1038.323 where: short stacking energy: -427.215 Base-Backbone interact. energy: -4.089 local terms energy: -553.634026 where: bonds (distance) C4'-P energy: -122.587 bonds (distance) P-C4' energy: -115.632 flat angles C4'-P-C4' energy: -140.739 flat angles P-C4'-P energy: -69.884 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1202.621105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.621105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.621105 (E_RNA) where: Base-Base interactions energy: -801.876 where: short stacking energy: -362.769 Base-Backbone interact. energy: -1.177 local terms energy: -399.567993 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -94.505 flat angles C4'-P-C4' energy: -103.472 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: -61.218 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: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -742.915110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.915110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.915110 (E_RNA) where: Base-Base interactions energy: -411.072 where: short stacking energy: -225.945 Base-Backbone interact. energy: 1.714 local terms energy: -333.556946 where: bonds (distance) C4'-P energy: -93.084 bonds (distance) P-C4' energy: -117.829 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2388.962301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.962301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.962301 (E_RNA) where: Base-Base interactions energy: -1684.109 where: short stacking energy: -689.848 Base-Backbone interact. energy: -0.125 local terms energy: -704.727726 where: bonds (distance) C4'-P energy: -132.187 bonds (distance) P-C4' energy: -126.548 flat angles C4'-P-C4' energy: -149.601 flat angles P-C4'-P energy: -91.130 tors. eta vs tors. theta energy: -205.261 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: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2289.636695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.636695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.636695 (E_RNA) where: Base-Base interactions energy: -1607.408 where: short stacking energy: -667.869 Base-Backbone interact. energy: -3.061 local terms energy: -679.167207 where: bonds (distance) C4'-P energy: -120.814 bonds (distance) P-C4' energy: -132.926 flat angles C4'-P-C4' energy: -142.524 flat angles P-C4'-P energy: -101.332 tors. eta vs tors. theta energy: -181.572 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: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2307.182871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.182871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.182871 (E_RNA) where: Base-Base interactions energy: -1622.178 where: short stacking energy: -665.891 Base-Backbone interact. energy: 1.733 local terms energy: -686.738396 where: bonds (distance) C4'-P energy: -114.467 bonds (distance) P-C4' energy: -136.299 flat angles C4'-P-C4' energy: -151.384 flat angles P-C4'-P energy: -104.117 tors. eta vs tors. theta energy: -180.471 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2117.458214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.458214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.458214 (E_RNA) where: Base-Base interactions energy: -1493.613 where: short stacking energy: -618.238 Base-Backbone interact. energy: 1.504 local terms energy: -625.349036 where: bonds (distance) C4'-P energy: -109.548 bonds (distance) P-C4' energy: -119.894 flat angles C4'-P-C4' energy: -134.250 flat angles P-C4'-P energy: -90.012 tors. eta vs tors. theta energy: -171.645 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: 335 Temperature: 1.100000 Total energy: -2114.050390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.050390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.050390 (E_RNA) where: Base-Base interactions energy: -1515.884 where: short stacking energy: -632.988 Base-Backbone interact. energy: -5.146 local terms energy: -593.020711 where: bonds (distance) C4'-P energy: -105.619 bonds (distance) P-C4' energy: -103.771 flat angles C4'-P-C4' energy: -137.467 flat angles P-C4'-P energy: -80.619 tors. eta vs tors. theta energy: -165.544 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: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1936.907491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.907491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.907491 (E_RNA) where: Base-Base interactions energy: -1334.036 where: short stacking energy: -561.657 Base-Backbone interact. energy: -4.221 local terms energy: -598.650177 where: bonds (distance) C4'-P energy: -116.544 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -135.367 flat angles P-C4'-P energy: -60.598 tors. eta vs tors. theta energy: -156.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1741.001026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.001026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.001026 (E_RNA) where: Base-Base interactions energy: -1194.671 where: short stacking energy: -493.077 Base-Backbone interact. energy: -1.957 local terms energy: -544.373135 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -126.353 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -114.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1541.733156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.733156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.733156 (E_RNA) where: Base-Base interactions energy: -1051.498 where: short stacking energy: -448.323 Base-Backbone interact. energy: 2.965 local terms energy: -493.200250 where: bonds (distance) C4'-P energy: -88.544 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -111.475 flat angles P-C4'-P energy: -79.602 tors. eta vs tors. theta energy: -105.289 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: 7 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1214.285237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.285237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.285237 (E_RNA) where: Base-Base interactions energy: -763.986 where: short stacking energy: -361.850 Base-Backbone interact. energy: 2.724 local terms energy: -453.023161 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -115.618 flat angles C4'-P-C4' energy: -93.202 flat angles P-C4'-P energy: -75.275 tors. eta vs tors. theta energy: -61.486 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: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -768.093569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.093569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.093569 (E_RNA) where: Base-Base interactions energy: -381.834 where: short stacking energy: -228.703 Base-Backbone interact. energy: 3.015 local terms energy: -389.274500 where: bonds (distance) C4'-P energy: -122.017 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -91.199 flat angles P-C4'-P energy: -67.462 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2407.499196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.499196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.499196 (E_RNA) where: Base-Base interactions energy: -1674.903 where: short stacking energy: -687.695 Base-Backbone interact. energy: -2.924 local terms energy: -729.672171 where: bonds (distance) C4'-P energy: -130.115 bonds (distance) P-C4' energy: -141.464 flat angles C4'-P-C4' energy: -141.909 flat angles P-C4'-P energy: -111.962 tors. eta vs tors. theta energy: -204.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2334.712180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.712180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.712180 (E_RNA) where: Base-Base interactions energy: -1646.481 where: short stacking energy: -693.579 Base-Backbone interact. energy: -0.315 local terms energy: -687.916150 where: bonds (distance) C4'-P energy: -114.349 bonds (distance) P-C4' energy: -124.245 flat angles C4'-P-C4' energy: -156.725 flat angles P-C4'-P energy: -103.735 tors. eta vs tors. theta energy: -188.863 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: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2281.816080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.816080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.816080 (E_RNA) where: Base-Base interactions energy: -1599.863 where: short stacking energy: -645.857 Base-Backbone interact. energy: -1.863 local terms energy: -680.090945 where: bonds (distance) C4'-P energy: -128.575 bonds (distance) P-C4' energy: -118.906 flat angles C4'-P-C4' energy: -145.643 flat angles P-C4'-P energy: -105.341 tors. eta vs tors. theta energy: -181.626 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: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2132.205760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.205760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.205760 (E_RNA) where: Base-Base interactions energy: -1501.925 where: short stacking energy: -638.302 Base-Backbone interact. energy: 3.404 local terms energy: -633.685028 where: bonds (distance) C4'-P energy: -113.110 bonds (distance) P-C4' energy: -117.628 flat angles C4'-P-C4' energy: -145.465 flat angles P-C4'-P energy: -84.471 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: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2110.863492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.863492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.863492 (E_RNA) where: Base-Base interactions energy: -1479.735 where: short stacking energy: -614.938 Base-Backbone interact. energy: -5.294 local terms energy: -625.834480 where: bonds (distance) C4'-P energy: -133.557 bonds (distance) P-C4' energy: -126.894 flat angles C4'-P-C4' energy: -131.258 flat angles P-C4'-P energy: -77.822 tors. eta vs tors. theta energy: -156.304 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: 6, replica: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1919.795041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.795041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.795041 (E_RNA) where: Base-Base interactions energy: -1313.714 where: short stacking energy: -545.702 Base-Backbone interact. energy: -1.234 local terms energy: -604.847362 where: bonds (distance) C4'-P energy: -125.147 bonds (distance) P-C4' energy: -125.422 flat angles C4'-P-C4' energy: -122.166 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -155.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1734.015286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.015286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.015286 (E_RNA) where: Base-Base interactions energy: -1213.730 where: short stacking energy: -514.453 Base-Backbone interact. energy: -1.146 local terms energy: -519.139952 where: bonds (distance) C4'-P energy: -101.051 bonds (distance) P-C4' energy: -108.405 flat angles C4'-P-C4' energy: -120.343 flat angles P-C4'-P energy: -74.991 tors. eta vs tors. theta energy: -114.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1551.518917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.518917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.518917 (E_RNA) where: Base-Base interactions energy: -1044.466 where: short stacking energy: -423.272 Base-Backbone interact. energy: 2.577 local terms energy: -509.629803 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -112.715 flat angles C4'-P-C4' energy: -115.997 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -92.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1169.066469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.066469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.066469 (E_RNA) where: Base-Base interactions energy: -759.710 where: short stacking energy: -316.752 Base-Backbone interact. energy: 0.679 local terms energy: -410.035729 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -104.869 flat angles C4'-P-C4' energy: -96.120 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -33.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -737.343749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.343749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.343749 (E_RNA) where: Base-Base interactions energy: -355.448 where: short stacking energy: -206.844 Base-Backbone interact. energy: -1.924 local terms energy: -379.970882 where: bonds (distance) C4'-P energy: -100.918 bonds (distance) P-C4' energy: -113.817 flat angles C4'-P-C4' energy: -86.320 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -12.784 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: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2395.532003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.532003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.532003 (E_RNA) where: Base-Base interactions energy: -1688.761 where: short stacking energy: -670.553 Base-Backbone interact. energy: 2.909 local terms energy: -709.680495 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -155.870 flat angles P-C4'-P energy: -99.894 tors. eta vs tors. theta energy: -196.629 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: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2311.299340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.299340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.299340 (E_RNA) where: Base-Base interactions energy: -1634.312 where: short stacking energy: -677.078 Base-Backbone interact. energy: -3.935 local terms energy: -673.052210 where: bonds (distance) C4'-P energy: -122.669 bonds (distance) P-C4' energy: -124.325 flat angles C4'-P-C4' energy: -151.600 flat angles P-C4'-P energy: -102.355 tors. eta vs tors. theta energy: -172.103 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: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2257.539453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.539453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.539453 (E_RNA) where: Base-Base interactions energy: -1617.157 where: short stacking energy: -665.809 Base-Backbone interact. energy: -0.072 local terms energy: -640.310303 where: bonds (distance) C4'-P energy: -118.774 bonds (distance) P-C4' energy: -111.709 flat angles C4'-P-C4' energy: -140.671 flat angles P-C4'-P energy: -89.697 tors. eta vs tors. theta energy: -179.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2140.666874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.666874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.666874 (E_RNA) where: Base-Base interactions energy: -1481.918 where: short stacking energy: -624.671 Base-Backbone interact. energy: -3.162 local terms energy: -655.586827 where: bonds (distance) C4'-P energy: -128.830 bonds (distance) P-C4' energy: -133.207 flat angles C4'-P-C4' energy: -136.472 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -157.715 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: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2128.668417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.668417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.668417 (E_RNA) where: Base-Base interactions energy: -1489.575 where: short stacking energy: -611.923 Base-Backbone interact. energy: 1.982 local terms energy: -641.075400 where: bonds (distance) C4'-P energy: -120.703 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -131.350 flat angles P-C4'-P energy: -86.972 tors. eta vs tors. theta energy: -184.314 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: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1910.367966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.367966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.367966 (E_RNA) where: Base-Base interactions energy: -1325.710 where: short stacking energy: -571.866 Base-Backbone interact. energy: -1.103 local terms energy: -583.555043 where: bonds (distance) C4'-P energy: -121.023 bonds (distance) P-C4' energy: -105.169 flat angles C4'-P-C4' energy: -137.863 flat angles P-C4'-P energy: -67.612 tors. eta vs tors. theta energy: -151.889 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: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1703.865011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.865011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.865011 (E_RNA) where: Base-Base interactions energy: -1190.572 where: short stacking energy: -523.443 Base-Backbone interact. energy: 2.086 local terms energy: -515.378981 where: bonds (distance) C4'-P energy: -102.688 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -114.038 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -125.995 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: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1561.412910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.412910 (E_RNA) where: Base-Base interactions energy: -1088.117 where: short stacking energy: -482.364 Base-Backbone interact. energy: 0.947 local terms energy: -474.242420 where: bonds (distance) C4'-P energy: -89.436 bonds (distance) P-C4' energy: -97.651 flat angles C4'-P-C4' energy: -102.671 flat angles P-C4'-P energy: -74.592 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: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1198.079760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.079760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.079760 (E_RNA) where: Base-Base interactions energy: -751.880 where: short stacking energy: -308.502 Base-Backbone interact. energy: -0.285 local terms energy: -445.915110 where: bonds (distance) C4'-P energy: -109.769 bonds (distance) P-C4' energy: -112.238 flat angles C4'-P-C4' energy: -113.138 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -44.945 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: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -731.134062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.134062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.134062 (E_RNA) where: Base-Base interactions energy: -376.229 where: short stacking energy: -218.135 Base-Backbone interact. energy: -1.894 local terms energy: -353.010695 where: bonds (distance) C4'-P energy: -112.565 bonds (distance) P-C4' energy: -106.751 flat angles C4'-P-C4' energy: -74.871 flat angles P-C4'-P energy: -50.006 tors. eta vs tors. theta energy: -8.816 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: 5 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2368.795098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.795098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.795098 (E_RNA) where: Base-Base interactions energy: -1673.991 where: short stacking energy: -687.716 Base-Backbone interact. energy: -5.243 local terms energy: -689.561530 where: bonds (distance) C4'-P energy: -124.972 bonds (distance) P-C4' energy: -120.118 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -99.451 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: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2311.177629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.177629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.177629 (E_RNA) where: Base-Base interactions energy: -1658.431 where: short stacking energy: -688.882 Base-Backbone interact. energy: -3.762 local terms energy: -648.984414 where: bonds (distance) C4'-P energy: -114.376 bonds (distance) P-C4' energy: -131.607 flat angles C4'-P-C4' energy: -142.263 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -182.223 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: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2244.901380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.901380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.901380 (E_RNA) where: Base-Base interactions energy: -1586.133 where: short stacking energy: -654.978 Base-Backbone interact. energy: -1.658 local terms energy: -657.110192 where: bonds (distance) C4'-P energy: -104.826 bonds (distance) P-C4' energy: -133.419 flat angles C4'-P-C4' energy: -147.015 flat angles P-C4'-P energy: -93.870 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: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2146.434751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.434751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.434751 (E_RNA) where: Base-Base interactions energy: -1500.633 where: short stacking energy: -641.250 Base-Backbone interact. energy: -0.815 local terms energy: -644.987115 where: bonds (distance) C4'-P energy: -110.475 bonds (distance) P-C4' energy: -133.475 flat angles C4'-P-C4' energy: -137.078 flat angles P-C4'-P energy: -90.499 tors. eta vs tors. theta energy: -173.460 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: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2123.762580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.762580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.762580 (E_RNA) where: Base-Base interactions energy: -1528.447 where: short stacking energy: -636.750 Base-Backbone interact. energy: 0.042 local terms energy: -595.357430 where: bonds (distance) C4'-P energy: -114.783 bonds (distance) P-C4' energy: -93.194 flat angles C4'-P-C4' energy: -128.053 flat angles P-C4'-P energy: -88.987 tors. eta vs tors. theta energy: -170.340 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: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1924.284829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.284829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.284829 (E_RNA) where: Base-Base interactions energy: -1329.784 where: short stacking energy: -574.475 Base-Backbone interact. energy: 1.019 local terms energy: -595.520354 where: bonds (distance) C4'-P energy: -106.317 bonds (distance) P-C4' energy: -122.164 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -146.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1683.447703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.447703 (E_RNA) where: Base-Base interactions energy: -1158.238 where: short stacking energy: -485.787 Base-Backbone interact. energy: 3.480 local terms energy: -528.689998 where: bonds (distance) C4'-P energy: -99.336 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -127.962 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -114.374 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: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1540.045206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.045206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.045206 (E_RNA) where: Base-Base interactions energy: -1057.725 where: short stacking energy: -446.600 Base-Backbone interact. energy: -1.749 local terms energy: -480.571057 where: bonds (distance) C4'-P energy: -109.409 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -98.333 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: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1246.185430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.185430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.185430 (E_RNA) where: Base-Base interactions energy: -827.494 where: short stacking energy: -386.412 Base-Backbone interact. energy: 3.393 local terms energy: -422.084501 where: bonds (distance) C4'-P energy: -80.073 bonds (distance) P-C4' energy: -118.896 flat angles C4'-P-C4' energy: -91.623 flat angles P-C4'-P energy: -70.419 tors. eta vs tors. theta energy: -61.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -722.112494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.112494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.112494 (E_RNA) where: Base-Base interactions energy: -349.180 where: short stacking energy: -208.402 Base-Backbone interact. energy: 0.830 local terms energy: -373.762006 where: bonds (distance) C4'-P energy: -102.746 bonds (distance) P-C4' energy: -108.723 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -6.540 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: 339 Temperature: 0.900000 Total energy: -2384.841498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.841498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.841498 (E_RNA) where: Base-Base interactions energy: -1685.809 where: short stacking energy: -723.501 Base-Backbone interact. energy: -2.813 local terms energy: -696.219904 where: bonds (distance) C4'-P energy: -120.288 bonds (distance) P-C4' energy: -122.888 flat angles C4'-P-C4' energy: -146.689 flat angles P-C4'-P energy: -107.248 tors. eta vs tors. theta energy: -199.107 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: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2288.103766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.103766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.103766 (E_RNA) where: Base-Base interactions energy: -1646.287 where: short stacking energy: -663.669 Base-Backbone interact. energy: 5.638 local terms energy: -647.454080 where: bonds (distance) C4'-P energy: -116.426 bonds (distance) P-C4' energy: -106.747 flat angles C4'-P-C4' energy: -145.242 flat angles P-C4'-P energy: -93.463 tors. eta vs tors. theta energy: -185.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2226.694624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.694624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.694624 (E_RNA) where: Base-Base interactions energy: -1579.415 where: short stacking energy: -663.235 Base-Backbone interact. energy: -1.225 local terms energy: -646.054754 where: bonds (distance) C4'-P energy: -124.611 bonds (distance) P-C4' energy: -121.445 flat angles C4'-P-C4' energy: -148.944 flat angles P-C4'-P energy: -83.956 tors. eta vs tors. theta energy: -167.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2161.327109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.327109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.327109 (E_RNA) where: Base-Base interactions energy: -1516.283 where: short stacking energy: -652.589 Base-Backbone interact. energy: -0.584 local terms energy: -644.460014 where: bonds (distance) C4'-P energy: -107.180 bonds (distance) P-C4' energy: -127.307 flat angles C4'-P-C4' energy: -148.060 flat angles P-C4'-P energy: -90.933 tors. eta vs tors. theta energy: -170.979 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: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2113.289891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.289891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.289891 (E_RNA) where: Base-Base interactions energy: -1497.793 where: short stacking energy: -619.426 Base-Backbone interact. energy: -4.062 local terms energy: -611.435048 where: bonds (distance) C4'-P energy: -113.069 bonds (distance) P-C4' energy: -121.264 flat angles C4'-P-C4' energy: -128.881 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -166.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1936.227380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.227380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.227380 (E_RNA) where: Base-Base interactions energy: -1333.354 where: short stacking energy: -555.918 Base-Backbone interact. energy: -3.273 local terms energy: -599.600708 where: bonds (distance) C4'-P energy: -109.971 bonds (distance) P-C4' energy: -121.112 flat angles C4'-P-C4' energy: -133.741 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -145.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1650.848939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.848939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.848939 (E_RNA) where: Base-Base interactions energy: -1138.110 where: short stacking energy: -499.194 Base-Backbone interact. energy: -1.072 local terms energy: -511.666904 where: bonds (distance) C4'-P energy: -94.907 bonds (distance) P-C4' energy: -120.877 flat angles C4'-P-C4' energy: -116.901 flat angles P-C4'-P energy: -75.967 tors. eta vs tors. theta energy: -103.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1529.662370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.662370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.662370 (E_RNA) where: Base-Base interactions energy: -1035.639 where: short stacking energy: -427.770 Base-Backbone interact. energy: -3.310 local terms energy: -490.712938 where: bonds (distance) C4'-P energy: -106.738 bonds (distance) P-C4' energy: -97.052 flat angles C4'-P-C4' energy: -120.571 flat angles P-C4'-P energy: -77.500 tors. eta vs tors. theta energy: -88.853 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: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1237.500734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.500734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.500734 (E_RNA) where: Base-Base interactions energy: -760.298 where: short stacking energy: -356.278 Base-Backbone interact. energy: -2.256 local terms energy: -474.946244 where: bonds (distance) C4'-P energy: -117.349 bonds (distance) P-C4' energy: -112.809 flat angles C4'-P-C4' energy: -107.582 flat angles P-C4'-P energy: -62.357 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: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -766.870113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.870113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.870113 (E_RNA) where: Base-Base interactions energy: -379.675 where: short stacking energy: -255.675 Base-Backbone interact. energy: -2.778 local terms energy: -384.417119 where: bonds (distance) C4'-P energy: -98.287 bonds (distance) P-C4' energy: -109.323 flat angles C4'-P-C4' energy: -106.845 flat angles P-C4'-P energy: -43.305 tors. eta vs tors. theta energy: -26.656 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: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2400.509246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.509246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.509246 (E_RNA) where: Base-Base interactions energy: -1673.822 where: short stacking energy: -698.585 Base-Backbone interact. energy: -0.420 local terms energy: -726.267405 where: bonds (distance) C4'-P energy: -133.294 bonds (distance) P-C4' energy: -140.140 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -106.703 tors. eta vs tors. theta energy: -199.690 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: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2307.806727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.806727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.806727 (E_RNA) where: Base-Base interactions energy: -1633.125 where: short stacking energy: -676.403 Base-Backbone interact. energy: -0.182 local terms energy: -674.500216 where: bonds (distance) C4'-P energy: -127.164 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -153.345 flat angles P-C4'-P energy: -108.729 tors. eta vs tors. theta energy: -175.458 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: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2225.264495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.264495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.264495 (E_RNA) where: Base-Base interactions energy: -1561.426 where: short stacking energy: -644.836 Base-Backbone interact. energy: -6.042 local terms energy: -657.796892 where: bonds (distance) C4'-P energy: -135.208 bonds (distance) P-C4' energy: -111.135 flat angles C4'-P-C4' energy: -139.261 flat angles P-C4'-P energy: -92.812 tors. eta vs tors. theta energy: -179.380 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: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2142.753432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.753432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.753432 (E_RNA) where: Base-Base interactions energy: -1500.512 where: short stacking energy: -642.174 Base-Backbone interact. energy: -3.227 local terms energy: -639.014469 where: bonds (distance) C4'-P energy: -126.728 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -140.323 flat angles P-C4'-P energy: -92.841 tors. eta vs tors. theta energy: -164.864 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: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2147.047282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.047282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.047282 (E_RNA) where: Base-Base interactions energy: -1552.323 where: short stacking energy: -658.720 Base-Backbone interact. energy: -1.058 local terms energy: -593.666228 where: bonds (distance) C4'-P energy: -99.543 bonds (distance) P-C4' energy: -109.432 flat angles C4'-P-C4' energy: -119.370 flat angles P-C4'-P energy: -92.277 tors. eta vs tors. theta energy: -173.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1985.627094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.627094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.627094 (E_RNA) where: Base-Base interactions energy: -1376.995 where: short stacking energy: -595.451 Base-Backbone interact. energy: -3.010 local terms energy: -605.622474 where: bonds (distance) C4'-P energy: -120.680 bonds (distance) P-C4' energy: -116.187 flat angles C4'-P-C4' energy: -126.607 flat angles P-C4'-P energy: -78.419 tors. eta vs tors. theta energy: -163.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1600.445820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.445820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.445820 (E_RNA) where: Base-Base interactions energy: -1083.053 where: short stacking energy: -478.034 Base-Backbone interact. energy: 1.569 local terms energy: -518.962237 where: bonds (distance) C4'-P energy: -107.107 bonds (distance) P-C4' energy: -114.324 flat angles C4'-P-C4' energy: -117.771 flat angles P-C4'-P energy: -69.092 tors. eta vs tors. theta energy: -110.669 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: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1586.418173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.418173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.418173 (E_RNA) where: Base-Base interactions energy: -1060.806 where: short stacking energy: -449.813 Base-Backbone interact. energy: 0.403 local terms energy: -526.014737 where: bonds (distance) C4'-P energy: -121.636 bonds (distance) P-C4' energy: -101.991 flat angles C4'-P-C4' energy: -119.320 flat angles P-C4'-P energy: -80.704 tors. eta vs tors. theta energy: -102.364 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: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1176.585297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.585297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.585297 (E_RNA) where: Base-Base interactions energy: -736.006 where: short stacking energy: -334.250 Base-Backbone interact. energy: -0.436 local terms energy: -440.143337 where: bonds (distance) C4'-P energy: -102.261 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -49.429 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: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -713.971311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.971311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.971311 (E_RNA) where: Base-Base interactions energy: -350.605 where: short stacking energy: -209.493 Base-Backbone interact. energy: -1.751 local terms energy: -361.615698 where: bonds (distance) C4'-P energy: -95.560 bonds (distance) P-C4' energy: -110.915 flat angles C4'-P-C4' energy: -101.699 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: 6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2386.543679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.543679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.543679 (E_RNA) where: Base-Base interactions energy: -1640.125 where: short stacking energy: -672.194 Base-Backbone interact. energy: -2.602 local terms energy: -743.816739 where: bonds (distance) C4'-P energy: -124.215 bonds (distance) P-C4' energy: -137.142 flat angles C4'-P-C4' energy: -162.769 flat angles P-C4'-P energy: -121.753 tors. eta vs tors. theta energy: -197.938 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: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2313.857620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.857620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.857620 (E_RNA) where: Base-Base interactions energy: -1661.482 where: short stacking energy: -675.196 Base-Backbone interact. energy: -4.120 local terms energy: -648.256386 where: bonds (distance) C4'-P energy: -121.765 bonds (distance) P-C4' energy: -118.330 flat angles C4'-P-C4' energy: -138.898 flat angles P-C4'-P energy: -95.106 tors. eta vs tors. theta energy: -174.157 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: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2237.761390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.761390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.761390 (E_RNA) where: Base-Base interactions energy: -1588.109 where: short stacking energy: -659.032 Base-Backbone interact. energy: -1.189 local terms energy: -648.463754 where: bonds (distance) C4'-P energy: -121.231 bonds (distance) P-C4' energy: -119.717 flat angles C4'-P-C4' energy: -147.221 flat angles P-C4'-P energy: -82.121 tors. eta vs tors. theta energy: -178.174 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: 341 Temperature: 1.050000 Total energy: -2122.796660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.796660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.796660 (E_RNA) where: Base-Base interactions energy: -1483.696 where: short stacking energy: -612.669 Base-Backbone interact. energy: -3.110 local terms energy: -635.990617 where: bonds (distance) C4'-P energy: -125.222 bonds (distance) P-C4' energy: -122.333 flat angles C4'-P-C4' energy: -128.735 flat angles P-C4'-P energy: -91.040 tors. eta vs tors. theta energy: -168.661 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: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2097.977087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.977087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.977087 (E_RNA) where: Base-Base interactions energy: -1482.605 where: short stacking energy: -608.500 Base-Backbone interact. energy: -1.256 local terms energy: -614.115722 where: bonds (distance) C4'-P energy: -107.033 bonds (distance) P-C4' energy: -105.326 flat angles C4'-P-C4' energy: -138.360 flat angles P-C4'-P energy: -79.890 tors. eta vs tors. theta energy: -183.507 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: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1921.711208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.711208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.711208 (E_RNA) where: Base-Base interactions energy: -1354.327 where: short stacking energy: -579.537 Base-Backbone interact. energy: -2.218 local terms energy: -565.166889 where: bonds (distance) C4'-P energy: -113.983 bonds (distance) P-C4' energy: -109.018 flat angles C4'-P-C4' energy: -128.972 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -147.386 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: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1558.923542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.923542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.923542 (E_RNA) where: Base-Base interactions energy: -1060.308 where: short stacking energy: -432.455 Base-Backbone interact. energy: 0.529 local terms energy: -499.143789 where: bonds (distance) C4'-P energy: -96.887 bonds (distance) P-C4' energy: -104.013 flat angles C4'-P-C4' energy: -112.832 flat angles P-C4'-P energy: -81.424 tors. eta vs tors. theta energy: -103.988 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: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1605.775636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.775636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.775636 (E_RNA) where: Base-Base interactions energy: -1100.177 where: short stacking energy: -488.409 Base-Backbone interact. energy: -2.194 local terms energy: -503.404708 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -105.688 flat angles C4'-P-C4' energy: -120.654 flat angles P-C4'-P energy: -60.362 tors. eta vs tors. theta energy: -104.091 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: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1103.369365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.369365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.369365 (E_RNA) where: Base-Base interactions energy: -671.554 where: short stacking energy: -316.475 Base-Backbone interact. energy: 0.139 local terms energy: -431.954190 where: bonds (distance) C4'-P energy: -98.880 bonds (distance) P-C4' energy: -111.837 flat angles C4'-P-C4' energy: -109.635 flat angles P-C4'-P energy: -70.433 tors. eta vs tors. theta energy: -41.169 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: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -714.823068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.823068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.823068 (E_RNA) where: Base-Base interactions energy: -358.822 where: short stacking energy: -242.914 Base-Backbone interact. energy: 0.267 local terms energy: -356.268052 where: bonds (distance) C4'-P energy: -100.494 bonds (distance) P-C4' energy: -102.074 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -28.453 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: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2398.646300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.646300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.646300 (E_RNA) where: Base-Base interactions energy: -1691.176 where: short stacking energy: -707.816 Base-Backbone interact. energy: -3.203 local terms energy: -704.266879 where: bonds (distance) C4'-P energy: -119.845 bonds (distance) P-C4' energy: -135.590 flat angles C4'-P-C4' energy: -149.720 flat angles P-C4'-P energy: -104.569 tors. eta vs tors. theta energy: -194.543 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: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2355.693975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.693975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.693975 (E_RNA) where: Base-Base interactions energy: -1703.159 where: short stacking energy: -692.755 Base-Backbone interact. energy: 0.233 local terms energy: -652.767816 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -131.762 flat angles C4'-P-C4' energy: -133.599 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -190.475 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: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2249.947611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.947611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.947611 (E_RNA) where: Base-Base interactions energy: -1563.531 where: short stacking energy: -639.003 Base-Backbone interact. energy: -2.560 local terms energy: -683.856106 where: bonds (distance) C4'-P energy: -127.695 bonds (distance) P-C4' energy: -125.407 flat angles C4'-P-C4' energy: -152.810 flat angles P-C4'-P energy: -94.247 tors. eta vs tors. theta energy: -183.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2156.757235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.757235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.757235 (E_RNA) where: Base-Base interactions energy: -1508.099 where: short stacking energy: -650.037 Base-Backbone interact. energy: -1.023 local terms energy: -647.635947 where: bonds (distance) C4'-P energy: -126.050 bonds (distance) P-C4' energy: -109.634 flat angles C4'-P-C4' energy: -140.516 flat angles P-C4'-P energy: -88.061 tors. eta vs tors. theta energy: -183.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2106.226171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.226171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.226171 (E_RNA) where: Base-Base interactions energy: -1507.697 where: short stacking energy: -599.736 Base-Backbone interact. energy: -0.191 local terms energy: -598.337481 where: bonds (distance) C4'-P energy: -92.774 bonds (distance) P-C4' energy: -119.861 flat angles C4'-P-C4' energy: -131.592 flat angles P-C4'-P energy: -84.872 tors. eta vs tors. theta energy: -169.239 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: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1923.425744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.425744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.425744 (E_RNA) where: Base-Base interactions energy: -1340.997 where: short stacking energy: -554.999 Base-Backbone interact. energy: -4.205 local terms energy: -578.223859 where: bonds (distance) C4'-P energy: -104.008 bonds (distance) P-C4' energy: -108.131 flat angles C4'-P-C4' energy: -133.106 flat angles P-C4'-P energy: -80.022 tors. eta vs tors. theta energy: -152.957 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1700.670910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.670910 (E_RNA) where: Base-Base interactions energy: -1167.560 where: short stacking energy: -486.840 Base-Backbone interact. energy: 2.291 local terms energy: -535.401659 where: bonds (distance) C4'-P energy: -101.514 bonds (distance) P-C4' energy: -115.369 flat angles C4'-P-C4' energy: -116.703 flat angles P-C4'-P energy: -80.035 tors. eta vs tors. theta energy: -121.781 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: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1608.207607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.207607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.207607 (E_RNA) where: Base-Base interactions energy: -1090.970 where: short stacking energy: -454.647 Base-Backbone interact. energy: -0.862 local terms energy: -516.376075 where: bonds (distance) C4'-P energy: -109.655 bonds (distance) P-C4' energy: -104.718 flat angles C4'-P-C4' energy: -116.771 flat angles P-C4'-P energy: -73.414 tors. eta vs tors. theta energy: -111.818 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: 7 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1160.853467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.853467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.853467 (E_RNA) where: Base-Base interactions energy: -746.734 where: short stacking energy: -329.743 Base-Backbone interact. energy: 1.131 local terms energy: -415.250905 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -110.790 flat angles P-C4'-P energy: -59.702 tors. eta vs tors. theta energy: -47.275 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: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -658.590947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.590947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.590947 (E_RNA) where: Base-Base interactions energy: -315.964 where: short stacking energy: -187.287 Base-Backbone interact. energy: -0.800 local terms energy: -341.827244 where: bonds (distance) C4'-P energy: -110.317 bonds (distance) P-C4' energy: -114.176 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: 16.992 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: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2394.155776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.155776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.155776 (E_RNA) where: Base-Base interactions energy: -1679.139 where: short stacking energy: -706.730 Base-Backbone interact. energy: 3.103 local terms energy: -718.120371 where: bonds (distance) C4'-P energy: -121.448 bonds (distance) P-C4' energy: -142.044 flat angles C4'-P-C4' energy: -149.989 flat angles P-C4'-P energy: -106.644 tors. eta vs tors. theta energy: -197.994 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: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2328.556013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.556013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.556013 (E_RNA) where: Base-Base interactions energy: -1667.528 where: short stacking energy: -642.447 Base-Backbone interact. energy: -0.827 local terms energy: -660.200466 where: bonds (distance) C4'-P energy: -137.363 bonds (distance) P-C4' energy: -120.693 flat angles C4'-P-C4' energy: -145.814 flat angles P-C4'-P energy: -85.393 tors. eta vs tors. theta energy: -170.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2249.726903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.726903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.726903 (E_RNA) where: Base-Base interactions energy: -1561.173 where: short stacking energy: -652.134 Base-Backbone interact. energy: -0.114 local terms energy: -688.439270 where: bonds (distance) C4'-P energy: -132.397 bonds (distance) P-C4' energy: -133.646 flat angles C4'-P-C4' energy: -142.934 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -180.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2148.451724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.451724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.451724 (E_RNA) where: Base-Base interactions energy: -1527.011 where: short stacking energy: -636.594 Base-Backbone interact. energy: -1.802 local terms energy: -619.638978 where: bonds (distance) C4'-P energy: -110.555 bonds (distance) P-C4' energy: -125.429 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -87.552 tors. eta vs tors. theta energy: -169.283 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: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2145.900759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.900759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.900759 (E_RNA) where: Base-Base interactions energy: -1523.761 where: short stacking energy: -635.423 Base-Backbone interact. energy: -2.658 local terms energy: -619.482559 where: bonds (distance) C4'-P energy: -112.162 bonds (distance) P-C4' energy: -123.915 flat angles C4'-P-C4' energy: -129.988 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -166.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1950.686508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.686508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.686508 (E_RNA) where: Base-Base interactions energy: -1347.633 where: short stacking energy: -565.743 Base-Backbone interact. energy: 2.909 local terms energy: -605.962577 where: bonds (distance) C4'-P energy: -104.529 bonds (distance) P-C4' energy: -116.559 flat angles C4'-P-C4' energy: -139.447 flat angles P-C4'-P energy: -91.234 tors. eta vs tors. theta energy: -154.192 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: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1730.001888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.001888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.001888 (E_RNA) where: Base-Base interactions energy: -1160.358 where: short stacking energy: -493.602 Base-Backbone interact. energy: -2.955 local terms energy: -566.689005 where: bonds (distance) C4'-P energy: -116.546 bonds (distance) P-C4' energy: -114.539 flat angles C4'-P-C4' energy: -126.501 flat angles P-C4'-P energy: -92.201 tors. eta vs tors. theta energy: -116.902 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: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1570.463629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.463629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.463629 (E_RNA) where: Base-Base interactions energy: -1078.648 where: short stacking energy: -457.617 Base-Backbone interact. energy: -3.463 local terms energy: -488.352863 where: bonds (distance) C4'-P energy: -108.860 bonds (distance) P-C4' energy: -101.256 flat angles C4'-P-C4' energy: -110.351 flat angles P-C4'-P energy: -63.921 tors. eta vs tors. theta energy: -103.965 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: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1170.412506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.412506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.412506 (E_RNA) where: Base-Base interactions energy: -736.856 where: short stacking energy: -334.073 Base-Backbone interact. energy: -1.770 local terms energy: -431.786327 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -111.116 flat angles C4'-P-C4' energy: -103.288 flat angles P-C4'-P energy: -69.507 tors. eta vs tors. theta energy: -49.550 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: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -675.021131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.021131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.021131 (E_RNA) where: Base-Base interactions energy: -335.514 where: short stacking energy: -228.938 Base-Backbone interact. energy: 0.447 local terms energy: -339.953781 where: bonds (distance) C4'-P energy: -90.224 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -91.305 flat angles P-C4'-P energy: -45.704 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2410.339352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.339352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.339352 (E_RNA) where: Base-Base interactions energy: -1708.756 where: short stacking energy: -717.671 Base-Backbone interact. energy: 1.125 local terms energy: -702.708848 where: bonds (distance) C4'-P energy: -119.913 bonds (distance) P-C4' energy: -131.637 flat angles C4'-P-C4' energy: -152.954 flat angles P-C4'-P energy: -104.670 tors. eta vs tors. theta energy: -193.535 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2304.201321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.201321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.201321 (E_RNA) where: Base-Base interactions energy: -1635.170 where: short stacking energy: -624.997 Base-Backbone interact. energy: -4.362 local terms energy: -664.668932 where: bonds (distance) C4'-P energy: -126.308 bonds (distance) P-C4' energy: -138.602 flat angles C4'-P-C4' energy: -136.382 flat angles P-C4'-P energy: -93.014 tors. eta vs tors. theta energy: -170.363 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: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2237.349955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.349955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.349955 (E_RNA) where: Base-Base interactions energy: -1569.343 where: short stacking energy: -654.475 Base-Backbone interact. energy: -5.175 local terms energy: -662.831719 where: bonds (distance) C4'-P energy: -117.746 bonds (distance) P-C4' energy: -124.377 flat angles C4'-P-C4' energy: -135.094 flat angles P-C4'-P energy: -102.260 tors. eta vs tors. theta energy: -183.355 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: 4, replica: 8 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2168.522941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.522941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.522941 (E_RNA) where: Base-Base interactions energy: -1532.655 where: short stacking energy: -650.466 Base-Backbone interact. energy: -1.660 local terms energy: -634.207746 where: bonds (distance) C4'-P energy: -115.110 bonds (distance) P-C4' energy: -120.221 flat angles C4'-P-C4' energy: -134.544 flat angles P-C4'-P energy: -100.175 tors. eta vs tors. theta energy: -164.158 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: 5, replica: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2104.571804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.571804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.571804 (E_RNA) where: Base-Base interactions energy: -1495.319 where: short stacking energy: -617.898 Base-Backbone interact. energy: -2.180 local terms energy: -607.073006 where: bonds (distance) C4'-P energy: -102.726 bonds (distance) P-C4' energy: -113.721 flat angles C4'-P-C4' energy: -133.794 flat angles P-C4'-P energy: -88.751 tors. eta vs tors. theta energy: -168.081 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: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1953.405529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.405529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.405529 (E_RNA) where: Base-Base interactions energy: -1348.391 where: short stacking energy: -561.982 Base-Backbone interact. energy: -2.181 local terms energy: -602.833314 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -124.437 flat angles C4'-P-C4' energy: -127.535 flat angles P-C4'-P energy: -73.916 tors. eta vs tors. theta energy: -158.161 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: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1734.922380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.922380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.922380 (E_RNA) where: Base-Base interactions energy: -1163.737 where: short stacking energy: -504.871 Base-Backbone interact. energy: 0.111 local terms energy: -571.296412 where: bonds (distance) C4'-P energy: -107.625 bonds (distance) P-C4' energy: -117.032 flat angles C4'-P-C4' energy: -136.338 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -126.733 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: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1565.435058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.435058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.435058 (E_RNA) where: Base-Base interactions energy: -1039.372 where: short stacking energy: -436.757 Base-Backbone interact. energy: 1.011 local terms energy: -527.074294 where: bonds (distance) C4'-P energy: -106.137 bonds (distance) P-C4' energy: -131.821 flat angles C4'-P-C4' energy: -127.497 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -88.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1107.816760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.816760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.816760 (E_RNA) where: Base-Base interactions energy: -671.420 where: short stacking energy: -296.393 Base-Backbone interact. energy: -1.428 local terms energy: -434.968728 where: bonds (distance) C4'-P energy: -118.651 bonds (distance) P-C4' energy: -120.151 flat angles C4'-P-C4' energy: -87.753 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -51.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -652.142859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.142859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.142859 (E_RNA) where: Base-Base interactions energy: -314.392 where: short stacking energy: -187.448 Base-Backbone interact. energy: 3.216 local terms energy: -340.966728 where: bonds (distance) C4'-P energy: -106.199 bonds (distance) P-C4' energy: -111.489 flat angles C4'-P-C4' energy: -92.688 flat angles P-C4'-P energy: -51.818 tors. eta vs tors. theta energy: 21.227 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: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2422.725034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.725034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.725034 (E_RNA) where: Base-Base interactions energy: -1670.570 where: short stacking energy: -695.799 Base-Backbone interact. energy: -2.691 local terms energy: -749.464595 where: bonds (distance) C4'-P energy: -138.811 bonds (distance) P-C4' energy: -150.063 flat angles C4'-P-C4' energy: -155.451 flat angles P-C4'-P energy: -106.691 tors. eta vs tors. theta energy: -198.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2295.871828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.871828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.871828 (E_RNA) where: Base-Base interactions energy: -1620.648 where: short stacking energy: -653.275 Base-Backbone interact. energy: -3.120 local terms energy: -672.103113 where: bonds (distance) C4'-P energy: -127.679 bonds (distance) P-C4' energy: -130.439 flat angles C4'-P-C4' energy: -144.214 flat angles P-C4'-P energy: -103.193 tors. eta vs tors. theta energy: -166.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2251.626038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.626038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.626038 (E_RNA) where: Base-Base interactions energy: -1550.593 where: short stacking energy: -660.323 Base-Backbone interact. energy: -1.537 local terms energy: -699.496366 where: bonds (distance) C4'-P energy: -126.807 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -154.595 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -182.183 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: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2128.082484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.082484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.082484 (E_RNA) where: Base-Base interactions energy: -1477.871 where: short stacking energy: -638.531 Base-Backbone interact. energy: -2.151 local terms energy: -648.060870 where: bonds (distance) C4'-P energy: -115.139 bonds (distance) P-C4' energy: -120.216 flat angles C4'-P-C4' energy: -141.875 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -172.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2084.731700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.731700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.731700 (E_RNA) where: Base-Base interactions energy: -1452.005 where: short stacking energy: -602.481 Base-Backbone interact. energy: -3.904 local terms energy: -628.822852 where: bonds (distance) C4'-P energy: -117.560 bonds (distance) P-C4' energy: -130.796 flat angles C4'-P-C4' energy: -138.756 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -157.027 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: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1943.173029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.173029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.173029 (E_RNA) where: Base-Base interactions energy: -1343.740 where: short stacking energy: -544.267 Base-Backbone interact. energy: -2.058 local terms energy: -597.374559 where: bonds (distance) C4'-P energy: -116.028 bonds (distance) P-C4' energy: -121.689 flat angles C4'-P-C4' energy: -131.484 flat angles P-C4'-P energy: -80.617 tors. eta vs tors. theta energy: -147.557 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: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1738.897274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.897274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.897274 (E_RNA) where: Base-Base interactions energy: -1181.579 where: short stacking energy: -487.723 Base-Backbone interact. energy: -3.051 local terms energy: -554.266840 where: bonds (distance) C4'-P energy: -109.288 bonds (distance) P-C4' energy: -115.956 flat angles C4'-P-C4' energy: -128.172 flat angles P-C4'-P energy: -86.998 tors. eta vs tors. theta energy: -113.853 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: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1601.415475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.415475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.415475 (E_RNA) where: Base-Base interactions energy: -1095.116 where: short stacking energy: -468.209 Base-Backbone interact. energy: 0.543 local terms energy: -506.842289 where: bonds (distance) C4'-P energy: -90.815 bonds (distance) P-C4' energy: -106.970 flat angles C4'-P-C4' energy: -117.437 flat angles P-C4'-P energy: -71.819 tors. eta vs tors. theta energy: -119.801 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: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1053.883962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.883962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.883962 (E_RNA) where: Base-Base interactions energy: -651.783 where: short stacking energy: -329.779 Base-Backbone interact. energy: -0.071 local terms energy: -402.029975 where: bonds (distance) C4'-P energy: -91.107 bonds (distance) P-C4' energy: -110.776 flat angles C4'-P-C4' energy: -94.802 flat angles P-C4'-P energy: -45.229 tors. eta vs tors. theta energy: -60.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -775.926735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.926735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.926735 (E_RNA) where: Base-Base interactions energy: -434.432 where: short stacking energy: -261.202 Base-Backbone interact. energy: 0.652 local terms energy: -342.146741 where: bonds (distance) C4'-P energy: -96.811 bonds (distance) P-C4' energy: -104.556 flat angles C4'-P-C4' energy: -89.948 flat angles P-C4'-P energy: -42.619 tors. eta vs tors. theta energy: -8.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2418.656732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.656732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.656732 (E_RNA) where: Base-Base interactions energy: -1722.456 where: short stacking energy: -714.138 Base-Backbone interact. energy: -1.255 local terms energy: -694.945660 where: bonds (distance) C4'-P energy: -124.398 bonds (distance) P-C4' energy: -128.748 flat angles C4'-P-C4' energy: -149.093 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -194.893 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: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2303.071172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.071172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.071172 (E_RNA) where: Base-Base interactions energy: -1645.727 where: short stacking energy: -665.283 Base-Backbone interact. energy: -2.716 local terms energy: -654.628348 where: bonds (distance) C4'-P energy: -117.031 bonds (distance) P-C4' energy: -135.174 flat angles C4'-P-C4' energy: -134.688 flat angles P-C4'-P energy: -88.809 tors. eta vs tors. theta energy: -178.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2233.153669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.153669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.153669 (E_RNA) where: Base-Base interactions energy: -1574.964 where: short stacking energy: -678.068 Base-Backbone interact. energy: 1.269 local terms energy: -659.458444 where: bonds (distance) C4'-P energy: -121.677 bonds (distance) P-C4' energy: -115.986 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -90.971 tors. eta vs tors. theta energy: -183.761 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: 346 Temperature: 1.050000 Total energy: -2130.284385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.284385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.284385 (E_RNA) where: Base-Base interactions energy: -1496.919 where: short stacking energy: -629.106 Base-Backbone interact. energy: 1.314 local terms energy: -634.679128 where: bonds (distance) C4'-P energy: -115.979 bonds (distance) P-C4' energy: -123.925 flat angles C4'-P-C4' energy: -142.022 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -160.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2059.053265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.053265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.053265 (E_RNA) where: Base-Base interactions energy: -1452.787 where: short stacking energy: -589.271 Base-Backbone interact. energy: -5.541 local terms energy: -600.725223 where: bonds (distance) C4'-P energy: -118.095 bonds (distance) P-C4' energy: -116.781 flat angles C4'-P-C4' energy: -131.699 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -164.383 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: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1957.134622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.134622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.134622 (E_RNA) where: Base-Base interactions energy: -1353.224 where: short stacking energy: -564.780 Base-Backbone interact. energy: -1.924 local terms energy: -601.987176 where: bonds (distance) C4'-P energy: -111.635 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -134.602 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -149.118 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: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1744.027274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.027274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.027274 (E_RNA) where: Base-Base interactions energy: -1209.140 where: short stacking energy: -512.887 Base-Backbone interact. energy: 1.113 local terms energy: -535.999596 where: bonds (distance) C4'-P energy: -83.464 bonds (distance) P-C4' energy: -119.327 flat angles C4'-P-C4' energy: -128.700 flat angles P-C4'-P energy: -83.027 tors. eta vs tors. theta energy: -121.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1583.965628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.965628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.965628 (E_RNA) where: Base-Base interactions energy: -1097.939 where: short stacking energy: -478.196 Base-Backbone interact. energy: -0.973 local terms energy: -485.052968 where: bonds (distance) C4'-P energy: -108.182 bonds (distance) P-C4' energy: -114.955 flat angles C4'-P-C4' energy: -109.567 flat angles P-C4'-P energy: -56.901 tors. eta vs tors. theta energy: -95.448 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: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1050.740281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.740281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.740281 (E_RNA) where: Base-Base interactions energy: -636.571 where: short stacking energy: -311.791 Base-Backbone interact. energy: -2.300 local terms energy: -411.869390 where: bonds (distance) C4'-P energy: -109.842 bonds (distance) P-C4' energy: -118.094 flat angles C4'-P-C4' energy: -83.894 flat angles P-C4'-P energy: -57.718 tors. eta vs tors. theta energy: -42.320 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: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -792.389464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.389464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.389464 (E_RNA) where: Base-Base interactions energy: -432.962 where: short stacking energy: -231.409 Base-Backbone interact. energy: 0.105 local terms energy: -359.532820 where: bonds (distance) C4'-P energy: -113.813 bonds (distance) P-C4' energy: -90.058 flat angles C4'-P-C4' energy: -88.846 flat angles P-C4'-P energy: -51.266 tors. eta vs tors. theta energy: -15.551 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: 347 Temperature: 0.900000 Total energy: -2383.814173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.814173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.814173 (E_RNA) where: Base-Base interactions energy: -1689.250 where: short stacking energy: -704.901 Base-Backbone interact. energy: 1.144 local terms energy: -695.708094 where: bonds (distance) C4'-P energy: -130.269 bonds (distance) P-C4' energy: -120.267 flat angles C4'-P-C4' energy: -146.139 flat angles P-C4'-P energy: -104.104 tors. eta vs tors. theta energy: -194.929 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: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2296.928814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.928814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.928814 (E_RNA) where: Base-Base interactions energy: -1601.268 where: short stacking energy: -669.371 Base-Backbone interact. energy: -2.372 local terms energy: -693.288733 where: bonds (distance) C4'-P energy: -126.911 bonds (distance) P-C4' energy: -126.583 flat angles C4'-P-C4' energy: -149.932 flat angles P-C4'-P energy: -103.118 tors. eta vs tors. theta energy: -186.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2219.191561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.191561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.191561 (E_RNA) where: Base-Base interactions energy: -1572.907 where: short stacking energy: -664.612 Base-Backbone interact. energy: -0.768 local terms energy: -645.516253 where: bonds (distance) C4'-P energy: -115.549 bonds (distance) P-C4' energy: -117.178 flat angles C4'-P-C4' energy: -150.715 flat angles P-C4'-P energy: -87.651 tors. eta vs tors. theta energy: -174.423 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: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2178.678309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.678309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.678309 (E_RNA) where: Base-Base interactions energy: -1531.599 where: short stacking energy: -653.099 Base-Backbone interact. energy: -2.603 local terms energy: -644.476355 where: bonds (distance) C4'-P energy: -120.780 bonds (distance) P-C4' energy: -120.106 flat angles C4'-P-C4' energy: -132.709 flat angles P-C4'-P energy: -92.357 tors. eta vs tors. theta energy: -178.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2054.159069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.159069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.159069 (E_RNA) where: Base-Base interactions energy: -1453.625 where: short stacking energy: -602.230 Base-Backbone interact. energy: -4.461 local terms energy: -596.072853 where: bonds (distance) C4'-P energy: -128.768 bonds (distance) P-C4' energy: -104.157 flat angles C4'-P-C4' energy: -131.366 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: -154.592 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: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1933.730750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.730750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.730750 (E_RNA) where: Base-Base interactions energy: -1340.912 where: short stacking energy: -577.992 Base-Backbone interact. energy: -1.242 local terms energy: -591.576835 where: bonds (distance) C4'-P energy: -104.289 bonds (distance) P-C4' energy: -126.250 flat angles C4'-P-C4' energy: -131.351 flat angles P-C4'-P energy: -78.762 tors. eta vs tors. theta energy: -150.924 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: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1749.814360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.814360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.814360 (E_RNA) where: Base-Base interactions energy: -1218.216 where: short stacking energy: -506.200 Base-Backbone interact. energy: -1.586 local terms energy: -530.012262 where: bonds (distance) C4'-P energy: -114.140 bonds (distance) P-C4' energy: -107.704 flat angles C4'-P-C4' energy: -129.639 flat angles P-C4'-P energy: -53.227 tors. eta vs tors. theta energy: -125.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1612.743312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.743312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.743312 (E_RNA) where: Base-Base interactions energy: -1112.676 where: short stacking energy: -458.809 Base-Backbone interact. energy: -1.846 local terms energy: -498.221386 where: bonds (distance) C4'-P energy: -95.808 bonds (distance) P-C4' energy: -97.268 flat angles C4'-P-C4' energy: -111.693 flat angles P-C4'-P energy: -79.709 tors. eta vs tors. theta energy: -113.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1021.680236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.680236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.680236 (E_RNA) where: Base-Base interactions energy: -635.771 where: short stacking energy: -295.345 Base-Backbone interact. energy: -3.822 local terms energy: -382.087886 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -103.619 flat angles C4'-P-C4' energy: -100.155 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -42.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -665.564008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.564008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.564008 (E_RNA) where: Base-Base interactions energy: -321.460 where: short stacking energy: -186.915 Base-Backbone interact. energy: 3.977 local terms energy: -348.081121 where: bonds (distance) C4'-P energy: -92.879 bonds (distance) P-C4' energy: -106.912 flat angles C4'-P-C4' energy: -92.302 flat angles P-C4'-P energy: -54.164 tors. eta vs tors. theta energy: -1.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2383.198925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.198925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.198925 (E_RNA) where: Base-Base interactions energy: -1654.835 where: short stacking energy: -685.637 Base-Backbone interact. energy: 1.797 local terms energy: -730.160880 where: bonds (distance) C4'-P energy: -128.812 bonds (distance) P-C4' energy: -145.326 flat angles C4'-P-C4' energy: -153.096 flat angles P-C4'-P energy: -110.454 tors. eta vs tors. theta energy: -192.473 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: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2297.783533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.783533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.783533 (E_RNA) where: Base-Base interactions energy: -1632.864 where: short stacking energy: -665.129 Base-Backbone interact. energy: -4.118 local terms energy: -660.801357 where: bonds (distance) C4'-P energy: -119.108 bonds (distance) P-C4' energy: -129.839 flat angles C4'-P-C4' energy: -144.488 flat angles P-C4'-P energy: -85.862 tors. eta vs tors. theta energy: -181.504 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: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2235.951236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.951236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.951236 (E_RNA) where: Base-Base interactions energy: -1572.975 where: short stacking energy: -664.323 Base-Backbone interact. energy: -2.576 local terms energy: -660.400862 where: bonds (distance) C4'-P energy: -131.341 bonds (distance) P-C4' energy: -120.617 flat angles C4'-P-C4' energy: -133.460 flat angles P-C4'-P energy: -100.075 tors. eta vs tors. theta energy: -174.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2133.236645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.236645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.236645 (E_RNA) where: Base-Base interactions energy: -1499.109 where: short stacking energy: -638.587 Base-Backbone interact. energy: -2.324 local terms energy: -631.803598 where: bonds (distance) C4'-P energy: -108.032 bonds (distance) P-C4' energy: -118.434 flat angles C4'-P-C4' energy: -142.569 flat angles P-C4'-P energy: -100.821 tors. eta vs tors. theta energy: -161.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2078.417804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.417804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.417804 (E_RNA) where: Base-Base interactions energy: -1460.305 where: short stacking energy: -625.487 Base-Backbone interact. energy: -0.365 local terms energy: -617.748433 where: bonds (distance) C4'-P energy: -114.379 bonds (distance) P-C4' energy: -119.134 flat angles C4'-P-C4' energy: -138.452 flat angles P-C4'-P energy: -82.646 tors. eta vs tors. theta energy: -163.138 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: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1940.280618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.280618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.280618 (E_RNA) where: Base-Base interactions energy: -1327.635 where: short stacking energy: -547.749 Base-Backbone interact. energy: 1.097 local terms energy: -613.742354 where: bonds (distance) C4'-P energy: -112.520 bonds (distance) P-C4' energy: -115.441 flat angles C4'-P-C4' energy: -140.180 flat angles P-C4'-P energy: -90.510 tors. eta vs tors. theta energy: -155.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1728.993544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.993544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.993544 (E_RNA) where: Base-Base interactions energy: -1183.930 where: short stacking energy: -522.791 Base-Backbone interact. energy: -2.516 local terms energy: -542.547971 where: bonds (distance) C4'-P energy: -106.828 bonds (distance) P-C4' energy: -103.337 flat angles C4'-P-C4' energy: -130.194 flat angles P-C4'-P energy: -77.576 tors. eta vs tors. theta energy: -124.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1676.058580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.058580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.058580 (E_RNA) where: Base-Base interactions energy: -1169.352 where: short stacking energy: -493.950 Base-Backbone interact. energy: 15.841 local terms energy: -522.547282 where: bonds (distance) C4'-P energy: -120.561 bonds (distance) P-C4' energy: -105.230 flat angles C4'-P-C4' energy: -119.626 flat angles P-C4'-P energy: -59.370 tors. eta vs tors. theta energy: -117.759 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -984.776898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.776898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.776898 (E_RNA) where: Base-Base interactions energy: -570.991 where: short stacking energy: -275.966 Base-Backbone interact. energy: 0.818 local terms energy: -414.603183 where: bonds (distance) C4'-P energy: -101.808 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -117.053 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -24.963 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: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -648.910327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.910327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.910327 (E_RNA) where: Base-Base interactions energy: -304.524 where: short stacking energy: -180.165 Base-Backbone interact. energy: -0.305 local terms energy: -344.081734 where: bonds (distance) C4'-P energy: -109.436 bonds (distance) P-C4' energy: -100.662 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -41.464 tors. eta vs tors. theta energy: 4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2372.315930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.315930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.315930 (E_RNA) where: Base-Base interactions energy: -1646.592 where: short stacking energy: -693.859 Base-Backbone interact. energy: -0.129 local terms energy: -725.594909 where: bonds (distance) C4'-P energy: -134.662 bonds (distance) P-C4' energy: -136.856 flat angles C4'-P-C4' energy: -145.564 flat angles P-C4'-P energy: -105.631 tors. eta vs tors. theta energy: -202.882 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: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2338.627015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.627015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.627015 (E_RNA) where: Base-Base interactions energy: -1639.965 where: short stacking energy: -660.970 Base-Backbone interact. energy: 3.254 local terms energy: -701.915690 where: bonds (distance) C4'-P energy: -122.606 bonds (distance) P-C4' energy: -146.507 flat angles C4'-P-C4' energy: -154.028 flat angles P-C4'-P energy: -104.469 tors. eta vs tors. theta energy: -174.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2211.495466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.495466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.495466 (E_RNA) where: Base-Base interactions energy: -1558.045 where: short stacking energy: -643.958 Base-Backbone interact. energy: -1.364 local terms energy: -652.086338 where: bonds (distance) C4'-P energy: -113.059 bonds (distance) P-C4' energy: -133.918 flat angles C4'-P-C4' energy: -138.716 flat angles P-C4'-P energy: -92.056 tors. eta vs tors. theta energy: -174.336 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: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2140.492219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.492219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.492219 (E_RNA) where: Base-Base interactions energy: -1495.166 where: short stacking energy: -626.662 Base-Backbone interact. energy: -1.117 local terms energy: -644.208550 where: bonds (distance) C4'-P energy: -123.406 bonds (distance) P-C4' energy: -127.544 flat angles C4'-P-C4' energy: -139.624 flat angles P-C4'-P energy: -86.398 tors. eta vs tors. theta energy: -167.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2064.532771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.532771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.532771 (E_RNA) where: Base-Base interactions energy: -1462.142 where: short stacking energy: -588.536 Base-Backbone interact. energy: 1.651 local terms energy: -604.042054 where: bonds (distance) C4'-P energy: -128.985 bonds (distance) P-C4' energy: -117.535 flat angles C4'-P-C4' energy: -108.580 flat angles P-C4'-P energy: -86.212 tors. eta vs tors. theta energy: -162.730 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: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1923.698943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.698943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.698943 (E_RNA) where: Base-Base interactions energy: -1319.772 where: short stacking energy: -567.408 Base-Backbone interact. energy: -1.741 local terms energy: -602.186261 where: bonds (distance) C4'-P energy: -125.411 bonds (distance) P-C4' energy: -116.682 flat angles C4'-P-C4' energy: -120.160 flat angles P-C4'-P energy: -85.706 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: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1758.685658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.685658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.685658 (E_RNA) where: Base-Base interactions energy: -1208.371 where: short stacking energy: -502.202 Base-Backbone interact. energy: -1.864 local terms energy: -548.450605 where: bonds (distance) C4'-P energy: -111.507 bonds (distance) P-C4' energy: -112.996 flat angles C4'-P-C4' energy: -132.698 flat angles P-C4'-P energy: -64.671 tors. eta vs tors. theta energy: -126.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1711.255211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.255211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.255211 (E_RNA) where: Base-Base interactions energy: -1198.176 where: short stacking energy: -503.972 Base-Backbone interact. energy: 2.006 local terms energy: -515.085223 where: bonds (distance) C4'-P energy: -119.748 bonds (distance) P-C4' energy: -103.976 flat angles C4'-P-C4' energy: -116.267 flat angles P-C4'-P energy: -68.205 tors. eta vs tors. theta energy: -106.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -989.777915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.777915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.777915 (E_RNA) where: Base-Base interactions energy: -609.925 where: short stacking energy: -296.646 Base-Backbone interact. energy: -2.319 local terms energy: -377.533334 where: bonds (distance) C4'-P energy: -105.099 bonds (distance) P-C4' energy: -100.918 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -56.922 tors. eta vs tors. theta energy: -31.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -714.987800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.987800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.987800 (E_RNA) where: Base-Base interactions energy: -356.307 where: short stacking energy: -206.575 Base-Backbone interact. energy: -0.269 local terms energy: -358.412755 where: bonds (distance) C4'-P energy: -97.579 bonds (distance) P-C4' energy: -100.932 flat angles C4'-P-C4' energy: -97.942 flat angles P-C4'-P energy: -59.087 tors. eta vs tors. theta energy: -2.873 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: 1, replica: 5 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2382.745928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.745928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.745928 (E_RNA) where: Base-Base interactions energy: -1665.960 where: short stacking energy: -685.640 Base-Backbone interact. energy: -0.498 local terms energy: -716.288648 where: bonds (distance) C4'-P energy: -125.987 bonds (distance) P-C4' energy: -129.075 flat angles C4'-P-C4' energy: -161.578 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -192.506 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: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2361.768267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.768267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.768267 (E_RNA) where: Base-Base interactions energy: -1665.838 where: short stacking energy: -681.316 Base-Backbone interact. energy: -6.435 local terms energy: -689.494989 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -138.051 flat angles C4'-P-C4' energy: -146.883 flat angles P-C4'-P energy: -94.828 tors. eta vs tors. theta energy: -179.982 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: 9 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2246.308495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.308495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.308495 (E_RNA) where: Base-Base interactions energy: -1564.493 where: short stacking energy: -674.028 Base-Backbone interact. energy: 0.364 local terms energy: -682.179079 where: bonds (distance) C4'-P energy: -114.152 bonds (distance) P-C4' energy: -132.494 flat angles C4'-P-C4' energy: -141.526 flat angles P-C4'-P energy: -99.621 tors. eta vs tors. theta energy: -194.386 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: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2103.525657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.525657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.525657 (E_RNA) where: Base-Base interactions energy: -1495.252 where: short stacking energy: -635.234 Base-Backbone interact. energy: 0.598 local terms energy: -608.871693 where: bonds (distance) C4'-P energy: -110.922 bonds (distance) P-C4' energy: -106.729 flat angles C4'-P-C4' energy: -131.909 flat angles P-C4'-P energy: -94.407 tors. eta vs tors. theta energy: -164.905 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: 4 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2098.203975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.203975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.203975 (E_RNA) where: Base-Base interactions energy: -1482.240 where: short stacking energy: -624.668 Base-Backbone interact. energy: -3.049 local terms energy: -612.914762 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -114.252 flat angles C4'-P-C4' energy: -132.271 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -161.707 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: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1966.923362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.923362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.923362 (E_RNA) where: Base-Base interactions energy: -1346.199 where: short stacking energy: -579.569 Base-Backbone interact. energy: 0.699 local terms energy: -621.423096 where: bonds (distance) C4'-P energy: -122.667 bonds (distance) P-C4' energy: -123.343 flat angles C4'-P-C4' energy: -143.524 flat angles P-C4'-P energy: -79.400 tors. eta vs tors. theta energy: -152.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1772.984895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.984895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.984895 (E_RNA) where: Base-Base interactions energy: -1239.157 where: short stacking energy: -547.429 Base-Backbone interact. energy: -1.637 local terms energy: -532.191179 where: bonds (distance) C4'-P energy: -107.086 bonds (distance) P-C4' energy: -109.491 flat angles C4'-P-C4' energy: -113.701 flat angles P-C4'-P energy: -66.585 tors. eta vs tors. theta energy: -135.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1698.278555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.278555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.278555 (E_RNA) where: Base-Base interactions energy: -1140.487 where: short stacking energy: -499.697 Base-Backbone interact. energy: 2.890 local terms energy: -560.681303 where: bonds (distance) C4'-P energy: -116.222 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -121.563 flat angles P-C4'-P energy: -89.025 tors. eta vs tors. theta energy: -116.638 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: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1060.711768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.711768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.711768 (E_RNA) where: Base-Base interactions energy: -628.470 where: short stacking energy: -293.273 Base-Backbone interact. energy: -4.509 local terms energy: -427.733684 where: bonds (distance) C4'-P energy: -112.246 bonds (distance) P-C4' energy: -123.104 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: -23.239 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -712.281328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.281328 (E_RNA) where: Base-Base interactions energy: -382.138 where: short stacking energy: -233.546 Base-Backbone interact. energy: 4.137 local terms energy: -334.279970 where: bonds (distance) C4'-P energy: -109.533 bonds (distance) P-C4' energy: -101.985 flat angles C4'-P-C4' energy: -85.777 flat angles P-C4'-P energy: -43.282 tors. eta vs tors. theta energy: 6.296 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: 1, replica: 5 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2399.922608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.922608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.922608 (E_RNA) where: Base-Base interactions energy: -1674.234 where: short stacking energy: -703.048 Base-Backbone interact. energy: -5.611 local terms energy: -720.077476 where: bonds (distance) C4'-P energy: -132.121 bonds (distance) P-C4' energy: -128.792 flat angles C4'-P-C4' energy: -156.510 flat angles P-C4'-P energy: -101.223 tors. eta vs tors. theta energy: -201.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2367.240600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.240600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.240600 (E_RNA) where: Base-Base interactions energy: -1687.859 where: short stacking energy: -689.943 Base-Backbone interact. energy: -4.228 local terms energy: -675.153138 where: bonds (distance) C4'-P energy: -128.829 bonds (distance) P-C4' energy: -129.174 flat angles C4'-P-C4' energy: -145.021 flat angles P-C4'-P energy: -95.621 tors. eta vs tors. theta energy: -176.509 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: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2245.224771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.224771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.224771 (E_RNA) where: Base-Base interactions energy: -1593.455 where: short stacking energy: -679.642 Base-Backbone interact. energy: -1.953 local terms energy: -649.816794 where: bonds (distance) C4'-P energy: -96.446 bonds (distance) P-C4' energy: -130.953 flat angles C4'-P-C4' energy: -140.086 flat angles P-C4'-P energy: -94.872 tors. eta vs tors. theta energy: -187.459 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: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2162.596681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.596681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.596681 (E_RNA) where: Base-Base interactions energy: -1542.337 where: short stacking energy: -589.901 Base-Backbone interact. energy: 4.606 local terms energy: -624.865935 where: bonds (distance) C4'-P energy: -107.840 bonds (distance) P-C4' energy: -126.303 flat angles C4'-P-C4' energy: -149.060 flat angles P-C4'-P energy: -87.862 tors. eta vs tors. theta energy: -153.801 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: 351 Temperature: 1.100000 Total energy: -2075.214626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.214626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.214626 (E_RNA) where: Base-Base interactions energy: -1477.722 where: short stacking energy: -627.008 Base-Backbone interact. energy: 4.899 local terms energy: -602.391785 where: bonds (distance) C4'-P energy: -119.236 bonds (distance) P-C4' energy: -96.509 flat angles C4'-P-C4' energy: -135.985 flat angles P-C4'-P energy: -92.111 tors. eta vs tors. theta energy: -158.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1901.157557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.157557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.157557 (E_RNA) where: Base-Base interactions energy: -1312.306 where: short stacking energy: -557.526 Base-Backbone interact. energy: -2.736 local terms energy: -586.115342 where: bonds (distance) C4'-P energy: -121.882 bonds (distance) P-C4' energy: -121.629 flat angles C4'-P-C4' energy: -120.909 flat angles P-C4'-P energy: -81.705 tors. eta vs tors. theta energy: -139.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1758.368521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.368521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.368521 (E_RNA) where: Base-Base interactions energy: -1217.608 where: short stacking energy: -525.650 Base-Backbone interact. energy: -0.808 local terms energy: -539.952493 where: bonds (distance) C4'-P energy: -102.263 bonds (distance) P-C4' energy: -120.784 flat angles C4'-P-C4' energy: -118.241 flat angles P-C4'-P energy: -72.435 tors. eta vs tors. theta energy: -126.229 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: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1606.497319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.497319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.497319 (E_RNA) where: Base-Base interactions energy: -1095.265 where: short stacking energy: -462.208 Base-Backbone interact. energy: -2.124 local terms energy: -509.108035 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -118.770 flat angles C4'-P-C4' energy: -115.406 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -112.121 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -958.111299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.111299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.111299 (E_RNA) where: Base-Base interactions energy: -569.313 where: short stacking energy: -288.045 Base-Backbone interact. energy: -1.795 local terms energy: -387.003279 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -116.817 flat angles C4'-P-C4' energy: -95.143 flat angles P-C4'-P energy: -58.527 tors. eta vs tors. theta energy: -23.271 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -692.297702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.297702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.297702 (E_RNA) where: Base-Base interactions energy: -350.190 where: short stacking energy: -205.450 Base-Backbone interact. energy: 6.749 local terms energy: -348.856108 where: bonds (distance) C4'-P energy: -111.583 bonds (distance) P-C4' energy: -97.015 flat angles C4'-P-C4' energy: -90.667 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: 6.689 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: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2380.840200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.840200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.840200 (E_RNA) where: Base-Base interactions energy: -1664.273 where: short stacking energy: -690.083 Base-Backbone interact. energy: -0.661 local terms energy: -715.906142 where: bonds (distance) C4'-P energy: -133.870 bonds (distance) P-C4' energy: -131.048 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -102.861 tors. eta vs tors. theta energy: -197.596 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: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2346.645949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.645949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.645949 (E_RNA) where: Base-Base interactions energy: -1653.919 where: short stacking energy: -683.939 Base-Backbone interact. energy: -2.185 local terms energy: -690.542311 where: bonds (distance) C4'-P energy: -127.911 bonds (distance) P-C4' energy: -117.935 flat angles C4'-P-C4' energy: -151.521 flat angles P-C4'-P energy: -106.960 tors. eta vs tors. theta energy: -186.216 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: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2246.385496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.385496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.385496 (E_RNA) where: Base-Base interactions energy: -1589.263 where: short stacking energy: -669.628 Base-Backbone interact. energy: 1.436 local terms energy: -658.558272 where: bonds (distance) C4'-P energy: -115.718 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -149.428 flat angles P-C4'-P energy: -92.370 tors. eta vs tors. theta energy: -186.264 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: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2118.364269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.364269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.364269 (E_RNA) where: Base-Base interactions energy: -1497.843 where: short stacking energy: -622.417 Base-Backbone interact. energy: -1.061 local terms energy: -619.459751 where: bonds (distance) C4'-P energy: -107.350 bonds (distance) P-C4' energy: -120.459 flat angles C4'-P-C4' energy: -145.602 flat angles P-C4'-P energy: -73.193 tors. eta vs tors. theta energy: -172.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2070.488480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.488480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.488480 (E_RNA) where: Base-Base interactions energy: -1452.105 where: short stacking energy: -628.602 Base-Backbone interact. energy: -0.805 local terms energy: -617.579248 where: bonds (distance) C4'-P energy: -115.074 bonds (distance) P-C4' energy: -125.406 flat angles C4'-P-C4' energy: -127.446 flat angles P-C4'-P energy: -94.261 tors. eta vs tors. theta energy: -155.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1928.205973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.205973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.205973 (E_RNA) where: Base-Base interactions energy: -1355.138 where: short stacking energy: -587.330 Base-Backbone interact. energy: -1.429 local terms energy: -571.638983 where: bonds (distance) C4'-P energy: -104.266 bonds (distance) P-C4' energy: -113.186 flat angles C4'-P-C4' energy: -132.010 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -155.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1777.661753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.661753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.661753 (E_RNA) where: Base-Base interactions energy: -1222.930 where: short stacking energy: -529.671 Base-Backbone interact. energy: -2.051 local terms energy: -552.681098 where: bonds (distance) C4'-P energy: -96.384 bonds (distance) P-C4' energy: -113.195 flat angles C4'-P-C4' energy: -129.758 flat angles P-C4'-P energy: -82.834 tors. eta vs tors. theta energy: -130.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1699.492261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.492261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.492261 (E_RNA) where: Base-Base interactions energy: -1180.084 where: short stacking energy: -502.264 Base-Backbone interact. energy: 6.484 local terms energy: -525.892614 where: bonds (distance) C4'-P energy: -94.559 bonds (distance) P-C4' energy: -104.657 flat angles C4'-P-C4' energy: -121.672 flat angles P-C4'-P energy: -72.981 tors. eta vs tors. theta energy: -132.024 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: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -970.028096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.028096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.028096 (E_RNA) where: Base-Base interactions energy: -584.959 where: short stacking energy: -285.113 Base-Backbone interact. energy: -0.209 local terms energy: -384.860138 where: bonds (distance) C4'-P energy: -102.502 bonds (distance) P-C4' energy: -111.605 flat angles C4'-P-C4' energy: -111.781 flat angles P-C4'-P energy: -43.088 tors. eta vs tors. theta energy: -15.884 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: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -697.561978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.561978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.561978 (E_RNA) where: Base-Base interactions energy: -340.154 where: short stacking energy: -226.115 Base-Backbone interact. energy: 0.350 local terms energy: -357.758149 where: bonds (distance) C4'-P energy: -95.279 bonds (distance) P-C4' energy: -100.964 flat angles C4'-P-C4' energy: -87.694 flat angles P-C4'-P energy: -76.038 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: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2381.500849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.500849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.500849 (E_RNA) where: Base-Base interactions energy: -1678.443 where: short stacking energy: -701.520 Base-Backbone interact. energy: -5.888 local terms energy: -697.169427 where: bonds (distance) C4'-P energy: -130.402 bonds (distance) P-C4' energy: -129.976 flat angles C4'-P-C4' energy: -149.555 flat angles P-C4'-P energy: -87.514 tors. eta vs tors. theta energy: -199.724 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: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2313.808164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.808164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.808164 (E_RNA) where: Base-Base interactions energy: -1644.907 where: short stacking energy: -690.463 Base-Backbone interact. energy: -2.478 local terms energy: -666.423453 where: bonds (distance) C4'-P energy: -122.217 bonds (distance) P-C4' energy: -117.506 flat angles C4'-P-C4' energy: -139.862 flat angles P-C4'-P energy: -101.658 tors. eta vs tors. theta energy: -185.181 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: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2231.845451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.845451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.845451 (E_RNA) where: Base-Base interactions energy: -1566.220 where: short stacking energy: -651.768 Base-Backbone interact. energy: -1.758 local terms energy: -663.867444 where: bonds (distance) C4'-P energy: -113.000 bonds (distance) P-C4' energy: -127.860 flat angles C4'-P-C4' energy: -141.564 flat angles P-C4'-P energy: -98.313 tors. eta vs tors. theta energy: -183.132 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: 353 Temperature: 1.050000 Total energy: -2117.954753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.954753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.954753 (E_RNA) where: Base-Base interactions energy: -1476.925 where: short stacking energy: -599.317 Base-Backbone interact. energy: -1.557 local terms energy: -639.472348 where: bonds (distance) C4'-P energy: -125.511 bonds (distance) P-C4' energy: -130.619 flat angles C4'-P-C4' energy: -138.505 flat angles P-C4'-P energy: -88.272 tors. eta vs tors. theta energy: -156.566 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: 5, replica: 8 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2040.127826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.127826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.127826 (E_RNA) where: Base-Base interactions energy: -1430.967 where: short stacking energy: -603.181 Base-Backbone interact. energy: -3.318 local terms energy: -605.843418 where: bonds (distance) C4'-P energy: -111.833 bonds (distance) P-C4' energy: -119.489 flat angles C4'-P-C4' energy: -127.147 flat angles P-C4'-P energy: -85.348 tors. eta vs tors. theta energy: -162.026 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: 353 Temperature: 1.150000 Total energy: -1898.980349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.980349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.980349 (E_RNA) where: Base-Base interactions energy: -1306.734 where: short stacking energy: -548.789 Base-Backbone interact. energy: -0.621 local terms energy: -591.625816 where: bonds (distance) C4'-P energy: -117.675 bonds (distance) P-C4' energy: -125.548 flat angles C4'-P-C4' energy: -144.751 flat angles P-C4'-P energy: -57.230 tors. eta vs tors. theta energy: -146.421 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: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1777.903910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.903910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.903910 (E_RNA) where: Base-Base interactions energy: -1221.556 where: short stacking energy: -523.276 Base-Backbone interact. energy: -3.589 local terms energy: -552.758941 where: bonds (distance) C4'-P energy: -97.916 bonds (distance) P-C4' energy: -121.686 flat angles C4'-P-C4' energy: -127.438 flat angles P-C4'-P energy: -83.895 tors. eta vs tors. theta energy: -121.824 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: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1668.416439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.416439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.416439 (E_RNA) where: Base-Base interactions energy: -1160.698 where: short stacking energy: -473.894 Base-Backbone interact. energy: 4.133 local terms energy: -511.851722 where: bonds (distance) C4'-P energy: -105.498 bonds (distance) P-C4' energy: -112.651 flat angles C4'-P-C4' energy: -108.188 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -108.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -962.206844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.206844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.206844 (E_RNA) where: Base-Base interactions energy: -562.609 where: short stacking energy: -276.018 Base-Backbone interact. energy: 2.736 local terms energy: -402.334356 where: bonds (distance) C4'-P energy: -107.940 bonds (distance) P-C4' energy: -105.260 flat angles C4'-P-C4' energy: -100.352 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -29.112 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: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -683.636621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.636621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.636621 (E_RNA) where: Base-Base interactions energy: -338.184 where: short stacking energy: -176.172 Base-Backbone interact. energy: -1.656 local terms energy: -343.796138 where: bonds (distance) C4'-P energy: -80.510 bonds (distance) P-C4' energy: -112.065 flat angles C4'-P-C4' energy: -95.590 flat angles P-C4'-P energy: -67.938 tors. eta vs tors. theta energy: 12.307 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: 1, replica: 5 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2386.399329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.399329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.399329 (E_RNA) where: Base-Base interactions energy: -1656.978 where: short stacking energy: -714.596 Base-Backbone interact. energy: -2.503 local terms energy: -726.917623 where: bonds (distance) C4'-P energy: -136.535 bonds (distance) P-C4' energy: -136.644 flat angles C4'-P-C4' energy: -147.076 flat angles P-C4'-P energy: -108.116 tors. eta vs tors. theta energy: -198.547 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: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2287.057918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.057918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.057918 (E_RNA) where: Base-Base interactions energy: -1597.882 where: short stacking energy: -648.431 Base-Backbone interact. energy: -3.897 local terms energy: -685.279196 where: bonds (distance) C4'-P energy: -125.405 bonds (distance) P-C4' energy: -130.922 flat angles C4'-P-C4' energy: -152.839 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -171.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2287.938891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.938891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.938891 (E_RNA) where: Base-Base interactions energy: -1613.640 where: short stacking energy: -681.971 Base-Backbone interact. energy: 0.894 local terms energy: -675.193355 where: bonds (distance) C4'-P energy: -116.670 bonds (distance) P-C4' energy: -122.735 flat angles C4'-P-C4' energy: -150.912 flat angles P-C4'-P energy: -87.454 tors. eta vs tors. theta energy: -197.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2095.522337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.522337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.522337 (E_RNA) where: Base-Base interactions energy: -1467.788 where: short stacking energy: -600.399 Base-Backbone interact. energy: 1.725 local terms energy: -629.459309 where: bonds (distance) C4'-P energy: -120.894 bonds (distance) P-C4' energy: -116.422 flat angles C4'-P-C4' energy: -137.791 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -159.380 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: 354 Temperature: 1.100000 Total energy: -2038.068310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.068310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.068310 (E_RNA) where: Base-Base interactions energy: -1456.802 where: short stacking energy: -618.650 Base-Backbone interact. energy: -1.198 local terms energy: -580.068351 where: bonds (distance) C4'-P energy: -113.510 bonds (distance) P-C4' energy: -113.133 flat angles C4'-P-C4' energy: -127.626 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: -157.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1864.569471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.569471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.569471 (E_RNA) where: Base-Base interactions energy: -1288.937 where: short stacking energy: -569.587 Base-Backbone interact. energy: -1.336 local terms energy: -574.296481 where: bonds (distance) C4'-P energy: -113.414 bonds (distance) P-C4' energy: -107.438 flat angles C4'-P-C4' energy: -120.963 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -151.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1756.657105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.657105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.657105 (E_RNA) where: Base-Base interactions energy: -1223.013 where: short stacking energy: -516.047 Base-Backbone interact. energy: 0.444 local terms energy: -534.087618 where: bonds (distance) C4'-P energy: -90.477 bonds (distance) P-C4' energy: -112.760 flat angles C4'-P-C4' energy: -108.863 flat angles P-C4'-P energy: -85.187 tors. eta vs tors. theta energy: -136.800 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1662.893099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.893099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.893099 (E_RNA) where: Base-Base interactions energy: -1151.425 where: short stacking energy: -470.473 Base-Backbone interact. energy: -0.081 local terms energy: -511.386232 where: bonds (distance) C4'-P energy: -107.297 bonds (distance) P-C4' energy: -93.722 flat angles C4'-P-C4' energy: -111.473 flat angles P-C4'-P energy: -77.134 tors. eta vs tors. theta energy: -121.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -928.746561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.746561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.746561 (E_RNA) where: Base-Base interactions energy: -534.871 where: short stacking energy: -265.293 Base-Backbone interact. energy: -1.143 local terms energy: -392.732821 where: bonds (distance) C4'-P energy: -101.409 bonds (distance) P-C4' energy: -102.685 flat angles C4'-P-C4' energy: -98.960 flat angles P-C4'-P energy: -62.209 tors. eta vs tors. theta energy: -27.469 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: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -670.972725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.972725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.972725 (E_RNA) where: Base-Base interactions energy: -314.690 where: short stacking energy: -171.541 Base-Backbone interact. energy: -3.508 local terms energy: -352.775283 where: bonds (distance) C4'-P energy: -108.648 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -88.757 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: 12.563 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: 1, replica: 5 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2347.249655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.249655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.249655 (E_RNA) where: Base-Base interactions energy: -1625.850 where: short stacking energy: -680.848 Base-Backbone interact. energy: -1.309 local terms energy: -720.090897 where: bonds (distance) C4'-P energy: -137.208 bonds (distance) P-C4' energy: -140.754 flat angles C4'-P-C4' energy: -147.769 flat angles P-C4'-P energy: -107.747 tors. eta vs tors. theta energy: -186.612 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: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2356.433313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.433313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.433313 (E_RNA) where: Base-Base interactions energy: -1662.975 where: short stacking energy: -698.300 Base-Backbone interact. energy: 0.089 local terms energy: -693.547740 where: bonds (distance) C4'-P energy: -115.175 bonds (distance) P-C4' energy: -132.633 flat angles C4'-P-C4' energy: -148.144 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -189.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2251.463058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.463058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.463058 (E_RNA) where: Base-Base interactions energy: -1578.187 where: short stacking energy: -642.210 Base-Backbone interact. energy: -1.360 local terms energy: -671.915514 where: bonds (distance) C4'-P energy: -127.978 bonds (distance) P-C4' energy: -126.704 flat angles C4'-P-C4' energy: -146.777 flat angles P-C4'-P energy: -99.458 tors. eta vs tors. theta energy: -170.997 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: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2132.121778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.121778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.121778 (E_RNA) where: Base-Base interactions energy: -1488.875 where: short stacking energy: -609.257 Base-Backbone interact. energy: -4.276 local terms energy: -638.970299 where: bonds (distance) C4'-P energy: -122.507 bonds (distance) P-C4' energy: -115.454 flat angles C4'-P-C4' energy: -147.252 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -163.549 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: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2090.593790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.593790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.593790 (E_RNA) where: Base-Base interactions energy: -1475.057 where: short stacking energy: -640.645 Base-Backbone interact. energy: -0.077 local terms energy: -615.460571 where: bonds (distance) C4'-P energy: -122.832 bonds (distance) P-C4' energy: -99.151 flat angles C4'-P-C4' energy: -138.488 flat angles P-C4'-P energy: -88.485 tors. eta vs tors. theta energy: -166.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1893.218581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.218581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.218581 (E_RNA) where: Base-Base interactions energy: -1300.504 where: short stacking energy: -559.587 Base-Backbone interact. energy: -2.187 local terms energy: -590.528458 where: bonds (distance) C4'-P energy: -117.528 bonds (distance) P-C4' energy: -119.281 flat angles C4'-P-C4' energy: -120.428 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -158.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1753.881596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.881596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.881596 (E_RNA) where: Base-Base interactions energy: -1210.644 where: short stacking energy: -509.171 Base-Backbone interact. energy: -0.288 local terms energy: -542.949105 where: bonds (distance) C4'-P energy: -103.778 bonds (distance) P-C4' energy: -119.855 flat angles C4'-P-C4' energy: -114.662 flat angles P-C4'-P energy: -85.111 tors. eta vs tors. theta energy: -119.543 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: 8, replica: 10 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1699.876362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.876362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.876362 (E_RNA) where: Base-Base interactions energy: -1157.005 where: short stacking energy: -491.745 Base-Backbone interact. energy: 1.430 local terms energy: -544.301613 where: bonds (distance) C4'-P energy: -128.964 bonds (distance) P-C4' energy: -105.447 flat angles C4'-P-C4' energy: -122.167 flat angles P-C4'-P energy: -73.399 tors. eta vs tors. theta energy: -114.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1013.933023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.933023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.933023 (E_RNA) where: Base-Base interactions energy: -625.199 where: short stacking energy: -325.469 Base-Backbone interact. energy: 9.071 local terms energy: -397.805336 where: bonds (distance) C4'-P energy: -79.339 bonds (distance) P-C4' energy: -115.504 flat angles C4'-P-C4' energy: -103.780 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -38.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -708.932845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.932845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.932845 (E_RNA) where: Base-Base interactions energy: -378.541 where: short stacking energy: -202.269 Base-Backbone interact. energy: 0.112 local terms energy: -330.504029 where: bonds (distance) C4'-P energy: -109.394 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -89.735 flat angles P-C4'-P energy: -49.999 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2409.004941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.004941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.004941 (E_RNA) where: Base-Base interactions energy: -1697.351 where: short stacking energy: -699.817 Base-Backbone interact. energy: 0.941 local terms energy: -712.595103 where: bonds (distance) C4'-P energy: -135.808 bonds (distance) P-C4' energy: -116.835 flat angles C4'-P-C4' energy: -152.316 flat angles P-C4'-P energy: -110.044 tors. eta vs tors. theta energy: -197.592 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: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2289.087065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.087065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.087065 (E_RNA) where: Base-Base interactions energy: -1615.089 where: short stacking energy: -691.169 Base-Backbone interact. energy: 0.038 local terms energy: -674.036159 where: bonds (distance) C4'-P energy: -113.399 bonds (distance) P-C4' energy: -122.526 flat angles C4'-P-C4' energy: -146.430 flat angles P-C4'-P energy: -100.935 tors. eta vs tors. theta energy: -190.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2255.667324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.667324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.667324 (E_RNA) where: Base-Base interactions energy: -1612.913 where: short stacking energy: -644.435 Base-Backbone interact. energy: 0.441 local terms energy: -643.195216 where: bonds (distance) C4'-P energy: -118.851 bonds (distance) P-C4' energy: -121.555 flat angles C4'-P-C4' energy: -138.068 flat angles P-C4'-P energy: -88.539 tors. eta vs tors. theta energy: -176.182 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: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2117.907842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.907842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.907842 (E_RNA) where: Base-Base interactions energy: -1487.928 where: short stacking energy: -625.800 Base-Backbone interact. energy: -3.927 local terms energy: -626.052966 where: bonds (distance) C4'-P energy: -127.730 bonds (distance) P-C4' energy: -106.760 flat angles C4'-P-C4' energy: -137.955 flat angles P-C4'-P energy: -76.091 tors. eta vs tors. theta energy: -177.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2052.174974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.174974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.174974 (E_RNA) where: Base-Base interactions energy: -1443.173 where: short stacking energy: -587.512 Base-Backbone interact. energy: -0.360 local terms energy: -608.642208 where: bonds (distance) C4'-P energy: -121.531 bonds (distance) P-C4' energy: -118.800 flat angles C4'-P-C4' energy: -136.580 flat angles P-C4'-P energy: -90.326 tors. eta vs tors. theta energy: -141.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1918.393739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.393739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.393739 (E_RNA) where: Base-Base interactions energy: -1342.219 where: short stacking energy: -548.511 Base-Backbone interact. energy: -3.910 local terms energy: -572.265192 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -114.952 flat angles C4'-P-C4' energy: -133.408 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -143.620 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: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1777.681758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.681758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.681758 (E_RNA) where: Base-Base interactions energy: -1250.164 where: short stacking energy: -513.436 Base-Backbone interact. energy: -2.711 local terms energy: -524.806787 where: bonds (distance) C4'-P energy: -95.151 bonds (distance) P-C4' energy: -122.827 flat angles C4'-P-C4' energy: -119.450 flat angles P-C4'-P energy: -62.846 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: 8, replica: 10 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1704.437736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.437736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.437736 (E_RNA) where: Base-Base interactions energy: -1177.687 where: short stacking energy: -499.395 Base-Backbone interact. energy: -0.398 local terms energy: -526.353216 where: bonds (distance) C4'-P energy: -110.628 bonds (distance) P-C4' energy: -107.746 flat angles C4'-P-C4' energy: -101.097 flat angles P-C4'-P energy: -69.684 tors. eta vs tors. theta energy: -137.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -993.327366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.327366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.327366 (E_RNA) where: Base-Base interactions energy: -583.889 where: short stacking energy: -289.491 Base-Backbone interact. energy: 0.621 local terms energy: -410.059308 where: bonds (distance) C4'-P energy: -106.269 bonds (distance) P-C4' energy: -106.202 flat angles C4'-P-C4' energy: -115.924 flat angles P-C4'-P energy: -54.571 tors. eta vs tors. theta energy: -27.094 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: 10, replica: 2 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -758.083049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.083049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.083049 (E_RNA) where: Base-Base interactions energy: -394.286 where: short stacking energy: -229.285 Base-Backbone interact. energy: 0.316 local terms energy: -364.113055 where: bonds (distance) C4'-P energy: -99.291 bonds (distance) P-C4' energy: -105.378 flat angles C4'-P-C4' energy: -94.774 flat angles P-C4'-P energy: -61.386 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2407.984918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.984918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.984918 (E_RNA) where: Base-Base interactions energy: -1680.467 where: short stacking energy: -680.829 Base-Backbone interact. energy: -1.368 local terms energy: -726.149690 where: bonds (distance) C4'-P energy: -133.319 bonds (distance) P-C4' energy: -142.945 flat angles C4'-P-C4' energy: -148.777 flat angles P-C4'-P energy: -106.259 tors. eta vs tors. theta energy: -194.850 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2332.363595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.363595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.363595 (E_RNA) where: Base-Base interactions energy: -1637.748 where: short stacking energy: -685.447 Base-Backbone interact. energy: -4.579 local terms energy: -690.036599 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -128.773 flat angles C4'-P-C4' energy: -151.436 flat angles P-C4'-P energy: -91.099 tors. eta vs tors. theta energy: -188.898 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: 6 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2254.987387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.987387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.987387 (E_RNA) where: Base-Base interactions energy: -1611.369 where: short stacking energy: -634.618 Base-Backbone interact. energy: -4.070 local terms energy: -639.548022 where: bonds (distance) C4'-P energy: -103.658 bonds (distance) P-C4' energy: -122.660 flat angles C4'-P-C4' energy: -150.150 flat angles P-C4'-P energy: -94.428 tors. eta vs tors. theta energy: -168.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2155.164280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.164280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.164280 (E_RNA) where: Base-Base interactions energy: -1528.644 where: short stacking energy: -655.393 Base-Backbone interact. energy: -6.357 local terms energy: -620.162617 where: bonds (distance) C4'-P energy: -106.192 bonds (distance) P-C4' energy: -119.916 flat angles C4'-P-C4' energy: -141.348 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -173.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2112.354925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.354925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.354925 (E_RNA) where: Base-Base interactions energy: -1501.797 where: short stacking energy: -626.745 Base-Backbone interact. energy: -1.661 local terms energy: -608.897368 where: bonds (distance) C4'-P energy: -118.460 bonds (distance) P-C4' energy: -103.162 flat angles C4'-P-C4' energy: -146.321 flat angles P-C4'-P energy: -87.396 tors. eta vs tors. theta energy: -153.557 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: 1 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1939.258745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.258745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.258745 (E_RNA) where: Base-Base interactions energy: -1356.284 where: short stacking energy: -590.702 Base-Backbone interact. energy: 0.248 local terms energy: -583.221897 where: bonds (distance) C4'-P energy: -116.057 bonds (distance) P-C4' energy: -111.292 flat angles C4'-P-C4' energy: -135.536 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -139.383 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: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1760.440990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.440990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.440990 (E_RNA) where: Base-Base interactions energy: -1204.578 where: short stacking energy: -495.554 Base-Backbone interact. energy: 1.271 local terms energy: -557.134360 where: bonds (distance) C4'-P energy: -117.103 bonds (distance) P-C4' energy: -122.222 flat angles C4'-P-C4' energy: -111.298 flat angles P-C4'-P energy: -80.085 tors. eta vs tors. theta energy: -126.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1621.136596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.136596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.136596 (E_RNA) where: Base-Base interactions energy: -1105.425 where: short stacking energy: -475.816 Base-Backbone interact. energy: -3.464 local terms energy: -512.248356 where: bonds (distance) C4'-P energy: -107.090 bonds (distance) P-C4' energy: -96.163 flat angles C4'-P-C4' energy: -128.286 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -103.529 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: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -987.173149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.173149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.173149 (E_RNA) where: Base-Base interactions energy: -596.270 where: short stacking energy: -303.524 Base-Backbone interact. energy: -1.916 local terms energy: -388.986208 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -97.591 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -52.361 tors. eta vs tors. theta energy: -36.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -776.959584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.959584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.959584 (E_RNA) where: Base-Base interactions energy: -436.489 where: short stacking energy: -242.497 Base-Backbone interact. energy: -1.611 local terms energy: -338.859248 where: bonds (distance) C4'-P energy: -100.361 bonds (distance) P-C4' energy: -84.779 flat angles C4'-P-C4' energy: -94.052 flat angles P-C4'-P energy: -51.190 tors. eta vs tors. theta energy: -8.478 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: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2398.047213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.047213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.047213 (E_RNA) where: Base-Base interactions energy: -1707.247 where: short stacking energy: -713.874 Base-Backbone interact. energy: -1.556 local terms energy: -689.243403 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -137.038 flat angles C4'-P-C4' energy: -141.002 flat angles P-C4'-P energy: -95.729 tors. eta vs tors. theta energy: -191.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2311.841685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.841685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.841685 (E_RNA) where: Base-Base interactions energy: -1614.170 where: short stacking energy: -673.084 Base-Backbone interact. energy: 4.223 local terms energy: -701.894297 where: bonds (distance) C4'-P energy: -131.896 bonds (distance) P-C4' energy: -130.538 flat angles C4'-P-C4' energy: -148.089 flat angles P-C4'-P energy: -101.028 tors. eta vs tors. theta energy: -190.343 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: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2254.162176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.162176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.162176 (E_RNA) where: Base-Base interactions energy: -1594.235 where: short stacking energy: -643.229 Base-Backbone interact. energy: -3.282 local terms energy: -656.645165 where: bonds (distance) C4'-P energy: -127.369 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -148.855 flat angles P-C4'-P energy: -95.941 tors. eta vs tors. theta energy: -164.166 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: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2152.785540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.785540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.785540 (E_RNA) where: Base-Base interactions energy: -1544.913 where: short stacking energy: -641.773 Base-Backbone interact. energy: -2.363 local terms energy: -605.509141 where: bonds (distance) C4'-P energy: -98.799 bonds (distance) P-C4' energy: -105.800 flat angles C4'-P-C4' energy: -132.433 flat angles P-C4'-P energy: -92.495 tors. eta vs tors. theta energy: -175.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2101.583053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.583053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.583053 (E_RNA) where: Base-Base interactions energy: -1459.454 where: short stacking energy: -624.433 Base-Backbone interact. energy: 1.997 local terms energy: -644.126334 where: bonds (distance) C4'-P energy: -123.074 bonds (distance) P-C4' energy: -130.374 flat angles C4'-P-C4' energy: -137.201 flat angles P-C4'-P energy: -98.932 tors. eta vs tors. theta energy: -154.544 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: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1959.744597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.744597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.744597 (E_RNA) where: Base-Base interactions energy: -1360.607 where: short stacking energy: -575.448 Base-Backbone interact. energy: -1.917 local terms energy: -597.220960 where: bonds (distance) C4'-P energy: -102.630 bonds (distance) P-C4' energy: -110.836 flat angles C4'-P-C4' energy: -129.448 flat angles P-C4'-P energy: -91.239 tors. eta vs tors. theta energy: -163.068 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: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1734.568369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.568369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.568369 (E_RNA) where: Base-Base interactions energy: -1199.669 where: short stacking energy: -469.122 Base-Backbone interact. energy: -0.956 local terms energy: -533.943876 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -114.531 flat angles C4'-P-C4' energy: -121.255 flat angles P-C4'-P energy: -81.906 tors. eta vs tors. theta energy: -99.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1673.030921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.030921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.030921 (E_RNA) where: Base-Base interactions energy: -1149.190 where: short stacking energy: -499.634 Base-Backbone interact. energy: -1.047 local terms energy: -522.793348 where: bonds (distance) C4'-P energy: -113.862 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -117.817 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -117.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1016.664245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.664245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.664245 (E_RNA) where: Base-Base interactions energy: -609.072 where: short stacking energy: -300.559 Base-Backbone interact. energy: 1.377 local terms energy: -408.968958 where: bonds (distance) C4'-P energy: -103.314 bonds (distance) P-C4' energy: -97.714 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -46.819 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: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -723.327788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.327788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.327788 (E_RNA) where: Base-Base interactions energy: -382.859 where: short stacking energy: -241.469 Base-Backbone interact. energy: 2.898 local terms energy: -343.367187 where: bonds (distance) C4'-P energy: -97.364 bonds (distance) P-C4' energy: -123.399 flat angles C4'-P-C4' energy: -82.563 flat angles P-C4'-P energy: -33.158 tors. eta vs tors. theta energy: -6.883 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: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2406.830366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.830366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.830366 (E_RNA) where: Base-Base interactions energy: -1703.624 where: short stacking energy: -708.568 Base-Backbone interact. energy: -1.876 local terms energy: -701.330502 where: bonds (distance) C4'-P energy: -118.486 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -152.618 flat angles P-C4'-P energy: -104.377 tors. eta vs tors. theta energy: -191.305 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: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2312.485051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.485051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.485051 (E_RNA) where: Base-Base interactions energy: -1623.078 where: short stacking energy: -678.945 Base-Backbone interact. energy: 0.678 local terms energy: -690.085534 where: bonds (distance) C4'-P energy: -120.672 bonds (distance) P-C4' energy: -131.794 flat angles C4'-P-C4' energy: -153.582 flat angles P-C4'-P energy: -98.520 tors. eta vs tors. theta energy: -185.518 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: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2245.479988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.479988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.479988 (E_RNA) where: Base-Base interactions energy: -1576.839 where: short stacking energy: -639.543 Base-Backbone interact. energy: -1.644 local terms energy: -666.996566 where: bonds (distance) C4'-P energy: -123.532 bonds (distance) P-C4' energy: -129.396 flat angles C4'-P-C4' energy: -152.568 flat angles P-C4'-P energy: -92.519 tors. eta vs tors. theta energy: -168.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2182.505541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.505541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.505541 (E_RNA) where: Base-Base interactions energy: -1528.271 where: short stacking energy: -605.797 Base-Backbone interact. energy: -2.226 local terms energy: -652.008915 where: bonds (distance) C4'-P energy: -118.768 bonds (distance) P-C4' energy: -130.460 flat angles C4'-P-C4' energy: -144.516 flat angles P-C4'-P energy: -87.446 tors. eta vs tors. theta energy: -170.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2118.432074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.432074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.432074 (E_RNA) where: Base-Base interactions energy: -1516.553 where: short stacking energy: -605.824 Base-Backbone interact. energy: -2.056 local terms energy: -599.823108 where: bonds (distance) C4'-P energy: -119.569 bonds (distance) P-C4' energy: -108.319 flat angles C4'-P-C4' energy: -141.967 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -156.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1954.714089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.714089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.714089 (E_RNA) where: Base-Base interactions energy: -1360.710 where: short stacking energy: -576.026 Base-Backbone interact. energy: -1.926 local terms energy: -592.078060 where: bonds (distance) C4'-P energy: -103.196 bonds (distance) P-C4' energy: -118.260 flat angles C4'-P-C4' energy: -131.544 flat angles P-C4'-P energy: -80.668 tors. eta vs tors. theta energy: -158.409 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: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1748.561682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.561682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.561682 (E_RNA) where: Base-Base interactions energy: -1213.805 where: short stacking energy: -497.945 Base-Backbone interact. energy: -1.255 local terms energy: -533.502386 where: bonds (distance) C4'-P energy: -101.637 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -134.459 flat angles P-C4'-P energy: -89.237 tors. eta vs tors. theta energy: -106.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1647.044760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.044760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.044760 (E_RNA) where: Base-Base interactions energy: -1140.292 where: short stacking energy: -470.533 Base-Backbone interact. energy: 0.001 local terms energy: -506.753606 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -115.699 flat angles C4'-P-C4' energy: -115.870 flat angles P-C4'-P energy: -57.562 tors. eta vs tors. theta energy: -111.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -991.988168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.988168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.988168 (E_RNA) where: Base-Base interactions energy: -596.384 where: short stacking energy: -267.071 Base-Backbone interact. energy: 1.523 local terms energy: -397.127203 where: bonds (distance) C4'-P energy: -105.722 bonds (distance) P-C4' energy: -105.739 flat angles C4'-P-C4' energy: -104.631 flat angles P-C4'-P energy: -54.008 tors. eta vs tors. theta energy: -27.027 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: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -712.758449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.758449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.758449 (E_RNA) where: Base-Base interactions energy: -325.300 where: short stacking energy: -193.879 Base-Backbone interact. energy: 2.329 local terms energy: -389.786661 where: bonds (distance) C4'-P energy: -104.063 bonds (distance) P-C4' energy: -125.952 flat angles C4'-P-C4' energy: -99.000 flat angles P-C4'-P energy: -56.760 tors. eta vs tors. theta energy: -4.011 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: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2398.748170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.748170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.748170 (E_RNA) where: Base-Base interactions energy: -1670.281 where: short stacking energy: -696.712 Base-Backbone interact. energy: -2.091 local terms energy: -726.376399 where: bonds (distance) C4'-P energy: -136.542 bonds (distance) P-C4' energy: -142.578 flat angles C4'-P-C4' energy: -154.434 flat angles P-C4'-P energy: -103.043 tors. eta vs tors. theta energy: -189.779 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: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2355.659128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.659128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.659128 (E_RNA) where: Base-Base interactions energy: -1632.831 where: short stacking energy: -701.728 Base-Backbone interact. energy: -2.484 local terms energy: -720.344610 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -140.517 flat angles C4'-P-C4' energy: -150.606 flat angles P-C4'-P energy: -86.145 tors. eta vs tors. theta energy: -201.950 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: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2233.075204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.075204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.075204 (E_RNA) where: Base-Base interactions energy: -1586.208 where: short stacking energy: -662.493 Base-Backbone interact. energy: -0.065 local terms energy: -646.802296 where: bonds (distance) C4'-P energy: -119.478 bonds (distance) P-C4' energy: -125.965 flat angles C4'-P-C4' energy: -135.751 flat angles P-C4'-P energy: -94.602 tors. eta vs tors. theta energy: -171.006 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: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2136.479968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.479968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.479968 (E_RNA) where: Base-Base interactions energy: -1493.779 where: short stacking energy: -636.974 Base-Backbone interact. energy: -2.624 local terms energy: -640.076917 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -128.133 flat angles C4'-P-C4' energy: -144.039 flat angles P-C4'-P energy: -97.817 tors. eta vs tors. theta energy: -174.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2103.898186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.898186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.898186 (E_RNA) where: Base-Base interactions energy: -1473.485 where: short stacking energy: -613.290 Base-Backbone interact. energy: -1.386 local terms energy: -629.027381 where: bonds (distance) C4'-P energy: -100.887 bonds (distance) P-C4' energy: -124.957 flat angles C4'-P-C4' energy: -142.514 flat angles P-C4'-P energy: -88.064 tors. eta vs tors. theta energy: -172.605 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: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1992.201333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.201333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.201333 (E_RNA) where: Base-Base interactions energy: -1401.932 where: short stacking energy: -579.461 Base-Backbone interact. energy: -4.012 local terms energy: -586.257923 where: bonds (distance) C4'-P energy: -103.138 bonds (distance) P-C4' energy: -106.255 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -97.148 tors. eta vs tors. theta energy: -155.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1777.342792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.342792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.342792 (E_RNA) where: Base-Base interactions energy: -1240.165 where: short stacking energy: -525.594 Base-Backbone interact. energy: -2.847 local terms energy: -534.331497 where: bonds (distance) C4'-P energy: -92.692 bonds (distance) P-C4' energy: -110.820 flat angles C4'-P-C4' energy: -126.922 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: -122.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1591.405148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.405148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.405148 (E_RNA) where: Base-Base interactions energy: -1078.489 where: short stacking energy: -467.004 Base-Backbone interact. energy: -3.245 local terms energy: -509.670825 where: bonds (distance) C4'-P energy: -96.452 bonds (distance) P-C4' energy: -112.818 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -70.698 tors. eta vs tors. theta energy: -107.573 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: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1055.419246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.419246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.419246 (E_RNA) where: Base-Base interactions energy: -623.524 where: short stacking energy: -345.048 Base-Backbone interact. energy: -3.230 local terms energy: -428.664961 where: bonds (distance) C4'-P energy: -97.980 bonds (distance) P-C4' energy: -103.378 flat angles C4'-P-C4' energy: -113.668 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -57.081 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: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -715.001568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.001568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.001568 (E_RNA) where: Base-Base interactions energy: -364.653 where: short stacking energy: -206.833 Base-Backbone interact. energy: 1.512 local terms energy: -351.860129 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -117.411 flat angles P-C4'-P energy: -39.019 tors. eta vs tors. theta energy: 3.866 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2400.576327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.576327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.576327 (E_RNA) where: Base-Base interactions energy: -1701.503 where: short stacking energy: -702.368 Base-Backbone interact. energy: -4.767 local terms energy: -694.306803 where: bonds (distance) C4'-P energy: -135.446 bonds (distance) P-C4' energy: -120.747 flat angles C4'-P-C4' energy: -146.950 flat angles P-C4'-P energy: -99.336 tors. eta vs tors. theta energy: -191.828 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: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2335.446049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.446049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.446049 (E_RNA) where: Base-Base interactions energy: -1644.961 where: short stacking energy: -693.615 Base-Backbone interact. energy: -3.986 local terms energy: -686.498451 where: bonds (distance) C4'-P energy: -118.656 bonds (distance) P-C4' energy: -138.949 flat angles C4'-P-C4' energy: -151.444 flat angles P-C4'-P energy: -85.953 tors. eta vs tors. theta energy: -191.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2231.769011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.769011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.769011 (E_RNA) where: Base-Base interactions energy: -1596.926 where: short stacking energy: -641.137 Base-Backbone interact. energy: -2.578 local terms energy: -632.265217 where: bonds (distance) C4'-P energy: -118.288 bonds (distance) P-C4' energy: -111.364 flat angles C4'-P-C4' energy: -139.317 flat angles P-C4'-P energy: -93.714 tors. eta vs tors. theta energy: -169.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2159.682703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.682703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.682703 (E_RNA) where: Base-Base interactions energy: -1529.560 where: short stacking energy: -629.645 Base-Backbone interact. energy: -2.113 local terms energy: -628.009848 where: bonds (distance) C4'-P energy: -115.777 bonds (distance) P-C4' energy: -124.470 flat angles C4'-P-C4' energy: -145.841 flat angles P-C4'-P energy: -85.670 tors. eta vs tors. theta energy: -156.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2105.565317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.565317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.565317 (E_RNA) where: Base-Base interactions energy: -1482.485 where: short stacking energy: -631.200 Base-Backbone interact. energy: -2.827 local terms energy: -620.252819 where: bonds (distance) C4'-P energy: -122.246 bonds (distance) P-C4' energy: -126.759 flat angles C4'-P-C4' energy: -141.167 flat angles P-C4'-P energy: -66.648 tors. eta vs tors. theta energy: -163.434 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: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1957.540590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.540590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.540590 (E_RNA) where: Base-Base interactions energy: -1379.320 where: short stacking energy: -575.620 Base-Backbone interact. energy: 2.504 local terms energy: -580.724789 where: bonds (distance) C4'-P energy: -118.605 bonds (distance) P-C4' energy: -104.897 flat angles C4'-P-C4' energy: -121.188 flat angles P-C4'-P energy: -81.683 tors. eta vs tors. theta energy: -154.352 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: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1753.871883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.871883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.871883 (E_RNA) where: Base-Base interactions energy: -1207.131 where: short stacking energy: -530.246 Base-Backbone interact. energy: 3.101 local terms energy: -549.842027 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -105.136 flat angles C4'-P-C4' energy: -131.908 flat angles P-C4'-P energy: -72.108 tors. eta vs tors. theta energy: -143.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1586.116934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.116934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.116934 (E_RNA) where: Base-Base interactions energy: -1070.642 where: short stacking energy: -461.240 Base-Backbone interact. energy: 6.172 local terms energy: -521.646191 where: bonds (distance) C4'-P energy: -112.019 bonds (distance) P-C4' energy: -118.643 flat angles C4'-P-C4' energy: -125.560 flat angles P-C4'-P energy: -70.032 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: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -999.821214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.821214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.821214 (E_RNA) where: Base-Base interactions energy: -604.848 where: short stacking energy: -307.270 Base-Backbone interact. energy: 1.072 local terms energy: -396.045056 where: bonds (distance) C4'-P energy: -107.486 bonds (distance) P-C4' energy: -103.293 flat angles C4'-P-C4' energy: -99.691 flat angles P-C4'-P energy: -50.008 tors. eta vs tors. theta energy: -35.566 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: 10, replica: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -686.644397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.644397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.644397 (E_RNA) where: Base-Base interactions energy: -345.360 where: short stacking energy: -201.807 Base-Backbone interact. energy: 3.916 local terms energy: -345.200433 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -100.927 flat angles C4'-P-C4' energy: -104.931 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2399.989134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.989134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.989134 (E_RNA) where: Base-Base interactions energy: -1678.311 where: short stacking energy: -704.346 Base-Backbone interact. energy: -4.770 local terms energy: -716.908278 where: bonds (distance) C4'-P energy: -133.711 bonds (distance) P-C4' energy: -132.944 flat angles C4'-P-C4' energy: -152.080 flat angles P-C4'-P energy: -101.566 tors. eta vs tors. theta energy: -196.607 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: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2341.242944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.242944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.242944 (E_RNA) where: Base-Base interactions energy: -1622.300 where: short stacking energy: -669.333 Base-Backbone interact. energy: -1.296 local terms energy: -717.647605 where: bonds (distance) C4'-P energy: -130.624 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -154.212 flat angles P-C4'-P energy: -104.971 tors. eta vs tors. theta energy: -192.155 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: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2188.016561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.016561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.016561 (E_RNA) where: Base-Base interactions energy: -1532.497 where: short stacking energy: -626.693 Base-Backbone interact. energy: -3.141 local terms energy: -652.378487 where: bonds (distance) C4'-P energy: -133.801 bonds (distance) P-C4' energy: -131.435 flat angles C4'-P-C4' energy: -127.174 flat angles P-C4'-P energy: -87.761 tors. eta vs tors. theta energy: -172.207 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: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2188.956063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.956063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.956063 (E_RNA) where: Base-Base interactions energy: -1553.473 where: short stacking energy: -636.152 Base-Backbone interact. energy: -2.281 local terms energy: -633.202212 where: bonds (distance) C4'-P energy: -113.512 bonds (distance) P-C4' energy: -123.958 flat angles C4'-P-C4' energy: -139.468 flat angles P-C4'-P energy: -86.279 tors. eta vs tors. theta energy: -169.986 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: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2002.901457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.901457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.901457 (E_RNA) where: Base-Base interactions energy: -1392.395 where: short stacking energy: -582.293 Base-Backbone interact. energy: -1.184 local terms energy: -609.321996 where: bonds (distance) C4'-P energy: -118.727 bonds (distance) P-C4' energy: -124.009 flat angles C4'-P-C4' energy: -120.304 flat angles P-C4'-P energy: -87.500 tors. eta vs tors. theta energy: -158.781 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: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2015.710163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.710163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.710163 (E_RNA) where: Base-Base interactions energy: -1414.473 where: short stacking energy: -586.136 Base-Backbone interact. energy: -1.590 local terms energy: -599.646937 where: bonds (distance) C4'-P energy: -100.903 bonds (distance) P-C4' energy: -117.488 flat angles C4'-P-C4' energy: -135.461 flat angles P-C4'-P energy: -85.140 tors. eta vs tors. theta energy: -160.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1741.775204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.775204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.775204 (E_RNA) where: Base-Base interactions energy: -1176.623 where: short stacking energy: -515.832 Base-Backbone interact. energy: -4.833 local terms energy: -560.318970 where: bonds (distance) C4'-P energy: -106.422 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -138.452 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -123.178 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: 10 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1571.361504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.361504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.361504 (E_RNA) where: Base-Base interactions energy: -1093.941 where: short stacking energy: -466.987 Base-Backbone interact. energy: 7.738 local terms energy: -485.159009 where: bonds (distance) C4'-P energy: -107.034 bonds (distance) P-C4' energy: -92.603 flat angles C4'-P-C4' energy: -91.013 flat angles P-C4'-P energy: -86.368 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: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -981.713647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.713647 (E_RNA) where: Base-Base interactions energy: -561.086 where: short stacking energy: -290.211 Base-Backbone interact. energy: -0.400 local terms energy: -420.226886 where: bonds (distance) C4'-P energy: -99.818 bonds (distance) P-C4' energy: -111.450 flat angles C4'-P-C4' energy: -107.731 flat angles P-C4'-P energy: -77.253 tors. eta vs tors. theta energy: -23.975 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: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -713.155891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.155891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.155891 (E_RNA) where: Base-Base interactions energy: -373.537 where: short stacking energy: -215.229 Base-Backbone interact. energy: 4.998 local terms energy: -344.617387 where: bonds (distance) C4'-P energy: -82.538 bonds (distance) P-C4' energy: -109.809 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -11.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2401.791206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.791206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.791206 (E_RNA) where: Base-Base interactions energy: -1691.214 where: short stacking energy: -707.871 Base-Backbone interact. energy: -1.584 local terms energy: -708.992930 where: bonds (distance) C4'-P energy: -114.666 bonds (distance) P-C4' energy: -135.448 flat angles C4'-P-C4' energy: -148.278 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -204.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2357.063386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.063386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.063386 (E_RNA) where: Base-Base interactions energy: -1657.135 where: short stacking energy: -679.366 Base-Backbone interact. energy: -0.159 local terms energy: -699.769930 where: bonds (distance) C4'-P energy: -128.528 bonds (distance) P-C4' energy: -135.674 flat angles C4'-P-C4' energy: -147.603 flat angles P-C4'-P energy: -99.826 tors. eta vs tors. theta energy: -188.139 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: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2235.004983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.004983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.004983 (E_RNA) where: Base-Base interactions energy: -1585.570 where: short stacking energy: -639.400 Base-Backbone interact. energy: -3.374 local terms energy: -646.061665 where: bonds (distance) C4'-P energy: -107.579 bonds (distance) P-C4' energy: -117.607 flat angles C4'-P-C4' energy: -148.299 flat angles P-C4'-P energy: -103.693 tors. eta vs tors. theta energy: -168.885 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: 4, replica: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2207.371099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.371099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.371099 (E_RNA) where: Base-Base interactions energy: -1549.742 where: short stacking energy: -646.498 Base-Backbone interact. energy: -3.273 local terms energy: -654.356294 where: bonds (distance) C4'-P energy: -128.933 bonds (distance) P-C4' energy: -107.532 flat angles C4'-P-C4' energy: -145.500 flat angles P-C4'-P energy: -96.901 tors. eta vs tors. theta energy: -175.491 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: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1991.828724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.828724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.828724 (E_RNA) where: Base-Base interactions energy: -1375.712 where: short stacking energy: -574.011 Base-Backbone interact. energy: 0.442 local terms energy: -616.558852 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -121.130 flat angles C4'-P-C4' energy: -127.999 flat angles P-C4'-P energy: -90.681 tors. eta vs tors. theta energy: -149.243 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: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1963.773352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.773352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.773352 (E_RNA) where: Base-Base interactions energy: -1367.936 where: short stacking energy: -558.113 Base-Backbone interact. energy: -0.773 local terms energy: -595.064774 where: bonds (distance) C4'-P energy: -100.867 bonds (distance) P-C4' energy: -121.860 flat angles C4'-P-C4' energy: -132.873 flat angles P-C4'-P energy: -87.993 tors. eta vs tors. theta energy: -151.471 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: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1729.841988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.841988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.841988 (E_RNA) where: Base-Base interactions energy: -1179.069 where: short stacking energy: -489.641 Base-Backbone interact. energy: -2.106 local terms energy: -548.666920 where: bonds (distance) C4'-P energy: -105.772 bonds (distance) P-C4' energy: -115.997 flat angles C4'-P-C4' energy: -126.155 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -121.674 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: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1547.429806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.429806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.429806 (E_RNA) where: Base-Base interactions energy: -1043.544 where: short stacking energy: -453.608 Base-Backbone interact. energy: 7.510 local terms energy: -511.395575 where: bonds (distance) C4'-P energy: -97.269 bonds (distance) P-C4' energy: -118.966 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -85.535 tors. eta vs tors. theta energy: -97.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -919.085462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.085462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.085462 (E_RNA) where: Base-Base interactions energy: -518.739 where: short stacking energy: -275.473 Base-Backbone interact. energy: -0.502 local terms energy: -399.845029 where: bonds (distance) C4'-P energy: -106.278 bonds (distance) P-C4' energy: -113.301 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -59.485 tors. eta vs tors. theta energy: -31.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -771.432267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.432267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.432267 (E_RNA) where: Base-Base interactions energy: -416.035 where: short stacking energy: -234.704 Base-Backbone interact. energy: 4.831 local terms energy: -360.228288 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -100.126 flat angles C4'-P-C4' energy: -103.689 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -24.061 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: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2414.802641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.802641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.802641 (E_RNA) where: Base-Base interactions energy: -1718.501 where: short stacking energy: -700.778 Base-Backbone interact. energy: -1.547 local terms energy: -694.754752 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -122.559 flat angles C4'-P-C4' energy: -144.985 flat angles P-C4'-P energy: -99.742 tors. eta vs tors. theta energy: -195.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2320.054369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.054369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.054369 (E_RNA) where: Base-Base interactions energy: -1630.904 where: short stacking energy: -681.840 Base-Backbone interact. energy: -1.764 local terms energy: -687.386458 where: bonds (distance) C4'-P energy: -122.480 bonds (distance) P-C4' energy: -127.624 flat angles C4'-P-C4' energy: -144.051 flat angles P-C4'-P energy: -98.125 tors. eta vs tors. theta energy: -195.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2247.459121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.459121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.459121 (E_RNA) where: Base-Base interactions energy: -1599.386 where: short stacking energy: -628.172 Base-Backbone interact. energy: -3.290 local terms energy: -644.783415 where: bonds (distance) C4'-P energy: -125.586 bonds (distance) P-C4' energy: -129.084 flat angles C4'-P-C4' energy: -139.890 flat angles P-C4'-P energy: -86.924 tors. eta vs tors. theta energy: -163.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2184.716601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.716601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.716601 (E_RNA) where: Base-Base interactions energy: -1523.589 where: short stacking energy: -631.674 Base-Backbone interact. energy: -0.961 local terms energy: -660.166864 where: bonds (distance) C4'-P energy: -127.281 bonds (distance) P-C4' energy: -126.526 flat angles C4'-P-C4' energy: -137.898 flat angles P-C4'-P energy: -100.491 tors. eta vs tors. theta energy: -167.971 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: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1934.204560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.204560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.204560 (E_RNA) where: Base-Base interactions energy: -1359.593 where: short stacking energy: -551.552 Base-Backbone interact. energy: -0.694 local terms energy: -573.917535 where: bonds (distance) C4'-P energy: -113.731 bonds (distance) P-C4' energy: -125.605 flat angles C4'-P-C4' energy: -125.764 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -137.027 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: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1958.654778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.654778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.654778 (E_RNA) where: Base-Base interactions energy: -1358.317 where: short stacking energy: -561.701 Base-Backbone interact. energy: 1.304 local terms energy: -601.641586 where: bonds (distance) C4'-P energy: -117.725 bonds (distance) P-C4' energy: -111.669 flat angles C4'-P-C4' energy: -138.997 flat angles P-C4'-P energy: -80.264 tors. eta vs tors. theta energy: -152.987 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: 364 Temperature: 1.200000 Total energy: -1767.793997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.793997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.793997 (E_RNA) where: Base-Base interactions energy: -1192.275 where: short stacking energy: -508.711 Base-Backbone interact. energy: -1.854 local terms energy: -573.664485 where: bonds (distance) C4'-P energy: -110.503 bonds (distance) P-C4' energy: -113.352 flat angles C4'-P-C4' energy: -118.930 flat angles P-C4'-P energy: -87.862 tors. eta vs tors. theta energy: -143.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1551.797781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.797781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.797781 (E_RNA) where: Base-Base interactions energy: -1011.420 where: short stacking energy: -440.269 Base-Backbone interact. energy: -0.544 local terms energy: -539.833864 where: bonds (distance) C4'-P energy: -104.140 bonds (distance) P-C4' energy: -125.203 flat angles C4'-P-C4' energy: -127.103 flat angles P-C4'-P energy: -80.232 tors. eta vs tors. theta energy: -103.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -945.805826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.805826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.805826 (E_RNA) where: Base-Base interactions energy: -532.301 where: short stacking energy: -245.144 Base-Backbone interact. energy: -2.975 local terms energy: -410.530657 where: bonds (distance) C4'-P energy: -110.554 bonds (distance) P-C4' energy: -102.014 flat angles C4'-P-C4' energy: -105.513 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -21.189 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: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -790.548025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.548025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.548025 (E_RNA) where: Base-Base interactions energy: -392.315 where: short stacking energy: -217.423 Base-Backbone interact. energy: 4.541 local terms energy: -402.773141 where: bonds (distance) C4'-P energy: -100.711 bonds (distance) P-C4' energy: -107.707 flat angles C4'-P-C4' energy: -106.736 flat angles P-C4'-P energy: -66.953 tors. eta vs tors. theta energy: -20.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2388.137641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.137641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.137641 (E_RNA) where: Base-Base interactions energy: -1696.821 where: short stacking energy: -697.252 Base-Backbone interact. energy: -1.259 local terms energy: -690.058276 where: bonds (distance) C4'-P energy: -119.482 bonds (distance) P-C4' energy: -124.432 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -99.874 tors. eta vs tors. theta energy: -194.692 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: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2297.945905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.945905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.945905 (E_RNA) where: Base-Base interactions energy: -1603.087 where: short stacking energy: -667.076 Base-Backbone interact. energy: -2.035 local terms energy: -692.824114 where: bonds (distance) C4'-P energy: -143.865 bonds (distance) P-C4' energy: -127.463 flat angles C4'-P-C4' energy: -144.654 flat angles P-C4'-P energy: -106.492 tors. eta vs tors. theta energy: -170.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2316.774542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.774542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.774542 (E_RNA) where: Base-Base interactions energy: -1618.801 where: short stacking energy: -695.031 Base-Backbone interact. energy: -1.408 local terms energy: -696.566241 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -118.292 flat angles C4'-P-C4' energy: -147.464 flat angles P-C4'-P energy: -114.034 tors. eta vs tors. theta energy: -192.930 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: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2176.602691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.602691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.602691 (E_RNA) where: Base-Base interactions energy: -1545.970 where: short stacking energy: -639.968 Base-Backbone interact. energy: -2.755 local terms energy: -627.877936 where: bonds (distance) C4'-P energy: -112.058 bonds (distance) P-C4' energy: -118.295 flat angles C4'-P-C4' energy: -143.591 flat angles P-C4'-P energy: -87.723 tors. eta vs tors. theta energy: -166.211 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: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1937.876109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.876109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.876109 (E_RNA) where: Base-Base interactions energy: -1337.002 where: short stacking energy: -573.805 Base-Backbone interact. energy: -4.043 local terms energy: -596.831046 where: bonds (distance) C4'-P energy: -131.773 bonds (distance) P-C4' energy: -118.356 flat angles C4'-P-C4' energy: -127.270 flat angles P-C4'-P energy: -76.760 tors. eta vs tors. theta energy: -142.672 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: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1967.743422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.743422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.743422 (E_RNA) where: Base-Base interactions energy: -1354.571 where: short stacking energy: -568.407 Base-Backbone interact. energy: 2.920 local terms energy: -616.092551 where: bonds (distance) C4'-P energy: -120.720 bonds (distance) P-C4' energy: -116.295 flat angles C4'-P-C4' energy: -145.800 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -150.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1771.713150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.713150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.713150 (E_RNA) where: Base-Base interactions energy: -1226.631 where: short stacking energy: -503.324 Base-Backbone interact. energy: 4.182 local terms energy: -549.264639 where: bonds (distance) C4'-P energy: -100.406 bonds (distance) P-C4' energy: -116.060 flat angles C4'-P-C4' energy: -122.255 flat angles P-C4'-P energy: -77.533 tors. eta vs tors. theta energy: -133.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1613.837956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.837956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.837956 (E_RNA) where: Base-Base interactions energy: -1118.582 where: short stacking energy: -466.995 Base-Backbone interact. energy: 1.658 local terms energy: -496.913862 where: bonds (distance) C4'-P energy: -85.968 bonds (distance) P-C4' energy: -115.045 flat angles C4'-P-C4' energy: -112.596 flat angles P-C4'-P energy: -71.261 tors. eta vs tors. theta energy: -112.044 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: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -967.177452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.177452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.177452 (E_RNA) where: Base-Base interactions energy: -554.202 where: short stacking energy: -289.301 Base-Backbone interact. energy: -1.056 local terms energy: -411.919622 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -119.266 flat angles C4'-P-C4' energy: -102.226 flat angles P-C4'-P energy: -58.041 tors. eta vs tors. theta energy: -28.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -760.906566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.906566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.906566 (E_RNA) where: Base-Base interactions energy: -408.085 where: short stacking energy: -194.172 Base-Backbone interact. energy: 1.607 local terms energy: -354.428941 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -104.064 flat angles C4'-P-C4' energy: -100.802 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: 15.448 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: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2421.734836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.734836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.734836 (E_RNA) where: Base-Base interactions energy: -1689.710 where: short stacking energy: -711.843 Base-Backbone interact. energy: -1.147 local terms energy: -730.877655 where: bonds (distance) C4'-P energy: -140.147 bonds (distance) P-C4' energy: -132.814 flat angles C4'-P-C4' energy: -157.216 flat angles P-C4'-P energy: -106.164 tors. eta vs tors. theta energy: -194.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2298.757860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.757860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.757860 (E_RNA) where: Base-Base interactions energy: -1649.895 where: short stacking energy: -699.193 Base-Backbone interact. energy: 2.014 local terms energy: -650.877032 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -118.892 flat angles C4'-P-C4' energy: -149.443 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -170.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2331.152451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.152451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.152451 (E_RNA) where: Base-Base interactions energy: -1644.985 where: short stacking energy: -686.335 Base-Backbone interact. energy: -0.903 local terms energy: -685.264388 where: bonds (distance) C4'-P energy: -115.110 bonds (distance) P-C4' energy: -129.499 flat angles C4'-P-C4' energy: -146.259 flat angles P-C4'-P energy: -102.757 tors. eta vs tors. theta energy: -191.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2130.415669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.415669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.415669 (E_RNA) where: Base-Base interactions energy: -1515.000 where: short stacking energy: -603.820 Base-Backbone interact. energy: 3.064 local terms energy: -618.480182 where: bonds (distance) C4'-P energy: -127.839 bonds (distance) P-C4' energy: -110.023 flat angles C4'-P-C4' energy: -131.829 flat angles P-C4'-P energy: -100.344 tors. eta vs tors. theta energy: -148.445 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: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2022.768011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.768011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.768011 (E_RNA) where: Base-Base interactions energy: -1424.182 where: short stacking energy: -619.460 Base-Backbone interact. energy: -3.277 local terms energy: -595.309285 where: bonds (distance) C4'-P energy: -110.845 bonds (distance) P-C4' energy: -122.760 flat angles C4'-P-C4' energy: -125.456 flat angles P-C4'-P energy: -80.165 tors. eta vs tors. theta energy: -156.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1862.670879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.670879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.670879 (E_RNA) where: Base-Base interactions energy: -1282.288 where: short stacking energy: -535.639 Base-Backbone interact. energy: -0.280 local terms energy: -580.102829 where: bonds (distance) C4'-P energy: -107.720 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -131.478 flat angles P-C4'-P energy: -69.001 tors. eta vs tors. theta energy: -148.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1816.107199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.107199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.107199 (E_RNA) where: Base-Base interactions energy: -1253.293 where: short stacking energy: -523.929 Base-Backbone interact. energy: 0.617 local terms energy: -563.431460 where: bonds (distance) C4'-P energy: -105.851 bonds (distance) P-C4' energy: -112.418 flat angles C4'-P-C4' energy: -138.571 flat angles P-C4'-P energy: -81.640 tors. eta vs tors. theta energy: -124.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1563.085796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.085796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.085796 (E_RNA) where: Base-Base interactions energy: -1059.809 where: short stacking energy: -462.542 Base-Backbone interact. energy: -5.229 local terms energy: -498.048378 where: bonds (distance) C4'-P energy: -97.155 bonds (distance) P-C4' energy: -96.835 flat angles C4'-P-C4' energy: -120.322 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: -108.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -907.623672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.623672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.623672 (E_RNA) where: Base-Base interactions energy: -529.681 where: short stacking energy: -268.740 Base-Backbone interact. energy: 0.935 local terms energy: -378.878170 where: bonds (distance) C4'-P energy: -99.872 bonds (distance) P-C4' energy: -112.572 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -727.279322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.279322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.279322 (E_RNA) where: Base-Base interactions energy: -385.784 where: short stacking energy: -212.976 Base-Backbone interact. energy: -1.345 local terms energy: -340.149767 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -117.166 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -42.540 tors. eta vs tors. theta energy: 4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2384.011308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.011308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.011308 (E_RNA) where: Base-Base interactions energy: -1663.169 where: short stacking energy: -710.695 Base-Backbone interact. energy: -5.506 local terms energy: -715.336644 where: bonds (distance) C4'-P energy: -126.902 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -150.610 flat angles P-C4'-P energy: -111.021 tors. eta vs tors. theta energy: -195.442 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: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2364.279586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.279586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.279586 (E_RNA) where: Base-Base interactions energy: -1660.549 where: short stacking energy: -689.485 Base-Backbone interact. energy: -2.073 local terms energy: -701.657536 where: bonds (distance) C4'-P energy: -119.530 bonds (distance) P-C4' energy: -133.013 flat angles C4'-P-C4' energy: -146.723 flat angles P-C4'-P energy: -101.705 tors. eta vs tors. theta energy: -200.687 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: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2270.401353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.401353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.401353 (E_RNA) where: Base-Base interactions energy: -1606.782 where: short stacking energy: -661.745 Base-Backbone interact. energy: -2.299 local terms energy: -661.320308 where: bonds (distance) C4'-P energy: -114.914 bonds (distance) P-C4' energy: -124.181 flat angles C4'-P-C4' energy: -153.208 flat angles P-C4'-P energy: -89.427 tors. eta vs tors. theta energy: -179.590 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: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2134.283164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.283164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.283164 (E_RNA) where: Base-Base interactions energy: -1520.220 where: short stacking energy: -614.159 Base-Backbone interact. energy: 2.556 local terms energy: -616.618632 where: bonds (distance) C4'-P energy: -109.282 bonds (distance) P-C4' energy: -126.336 flat angles C4'-P-C4' energy: -130.161 flat angles P-C4'-P energy: -88.311 tors. eta vs tors. theta energy: -162.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2049.801519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.801519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.801519 (E_RNA) where: Base-Base interactions energy: -1427.485 where: short stacking energy: -616.345 Base-Backbone interact. energy: 2.726 local terms energy: -625.042773 where: bonds (distance) C4'-P energy: -120.079 bonds (distance) P-C4' energy: -105.346 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -90.411 tors. eta vs tors. theta energy: -169.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1953.248018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.248018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.248018 (E_RNA) where: Base-Base interactions energy: -1347.968 where: short stacking energy: -576.500 Base-Backbone interact. energy: -2.178 local terms energy: -603.102013 where: bonds (distance) C4'-P energy: -114.318 bonds (distance) P-C4' energy: -109.542 flat angles C4'-P-C4' energy: -139.765 flat angles P-C4'-P energy: -92.943 tors. eta vs tors. theta energy: -146.534 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: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1813.456813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.456813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.456813 (E_RNA) where: Base-Base interactions energy: -1237.667 where: short stacking energy: -547.718 Base-Backbone interact. energy: -1.634 local terms energy: -574.155045 where: bonds (distance) C4'-P energy: -107.826 bonds (distance) P-C4' energy: -119.620 flat angles C4'-P-C4' energy: -116.439 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -139.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1563.967459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.967459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.967459 (E_RNA) where: Base-Base interactions energy: -1072.842 where: short stacking energy: -431.435 Base-Backbone interact. energy: -0.443 local terms energy: -490.683011 where: bonds (distance) C4'-P energy: -98.438 bonds (distance) P-C4' energy: -114.666 flat angles C4'-P-C4' energy: -117.068 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -92.635 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: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -901.408842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.408842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.408842 (E_RNA) where: Base-Base interactions energy: -509.084 where: short stacking energy: -266.607 Base-Backbone interact. energy: 2.366 local terms energy: -394.690996 where: bonds (distance) C4'-P energy: -103.387 bonds (distance) P-C4' energy: -106.593 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -24.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -746.920914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.920914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.920914 (E_RNA) where: Base-Base interactions energy: -387.627 where: short stacking energy: -214.157 Base-Backbone interact. energy: 0.229 local terms energy: -359.522783 where: bonds (distance) C4'-P energy: -101.072 bonds (distance) P-C4' energy: -110.427 flat angles C4'-P-C4' energy: -98.861 flat angles P-C4'-P energy: -55.406 tors. eta vs tors. theta energy: 6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2390.164455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.164455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.164455 (E_RNA) where: Base-Base interactions energy: -1700.021 where: short stacking energy: -712.589 Base-Backbone interact. energy: 0.673 local terms energy: -690.816624 where: bonds (distance) C4'-P energy: -128.703 bonds (distance) P-C4' energy: -121.483 flat angles C4'-P-C4' energy: -148.022 flat angles P-C4'-P energy: -101.367 tors. eta vs tors. theta energy: -191.241 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: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2356.560223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.560223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.560223 (E_RNA) where: Base-Base interactions energy: -1674.646 where: short stacking energy: -692.207 Base-Backbone interact. energy: -0.948 local terms energy: -680.966018 where: bonds (distance) C4'-P energy: -115.038 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -137.275 flat angles P-C4'-P energy: -100.473 tors. eta vs tors. theta energy: -193.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2274.804692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.804692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.804692 (E_RNA) where: Base-Base interactions energy: -1607.811 where: short stacking energy: -691.904 Base-Backbone interact. energy: -4.124 local terms energy: -662.869242 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -115.650 flat angles C4'-P-C4' energy: -148.404 flat angles P-C4'-P energy: -94.344 tors. eta vs tors. theta energy: -181.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2129.852103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.852103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.852103 (E_RNA) where: Base-Base interactions energy: -1490.831 where: short stacking energy: -645.665 Base-Backbone interact. energy: 4.204 local terms energy: -643.225501 where: bonds (distance) C4'-P energy: -125.322 bonds (distance) P-C4' energy: -122.668 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -86.229 tors. eta vs tors. theta energy: -162.566 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: 5, replica: 4 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2045.039780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.039780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.039780 (E_RNA) where: Base-Base interactions energy: -1433.661 where: short stacking energy: -624.450 Base-Backbone interact. energy: -1.907 local terms energy: -609.472476 where: bonds (distance) C4'-P energy: -115.360 bonds (distance) P-C4' energy: -121.719 flat angles C4'-P-C4' energy: -124.056 flat angles P-C4'-P energy: -84.847 tors. eta vs tors. theta energy: -163.490 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: 1 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1912.021294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.021294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.021294 (E_RNA) where: Base-Base interactions energy: -1319.570 where: short stacking energy: -565.378 Base-Backbone interact. energy: 1.294 local terms energy: -593.746252 where: bonds (distance) C4'-P energy: -108.041 bonds (distance) P-C4' energy: -124.153 flat angles C4'-P-C4' energy: -111.106 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -162.918 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: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1862.222615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.222615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.222615 (E_RNA) where: Base-Base interactions energy: -1275.790 where: short stacking energy: -563.201 Base-Backbone interact. energy: -0.980 local terms energy: -585.452923 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -121.421 flat angles C4'-P-C4' energy: -129.164 flat angles P-C4'-P energy: -86.881 tors. eta vs tors. theta energy: -160.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1570.288802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.288802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.288802 (E_RNA) where: Base-Base interactions energy: -1045.116 where: short stacking energy: -434.549 Base-Backbone interact. energy: -0.887 local terms energy: -524.285643 where: bonds (distance) C4'-P energy: -98.790 bonds (distance) P-C4' energy: -120.288 flat angles C4'-P-C4' energy: -104.139 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -112.604 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: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -932.016935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.016935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.016935 (E_RNA) where: Base-Base interactions energy: -523.497 where: short stacking energy: -257.651 Base-Backbone interact. energy: -0.488 local terms energy: -408.031525 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -121.338 flat angles C4'-P-C4' energy: -104.549 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -24.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -756.461886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.461886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.461886 (E_RNA) where: Base-Base interactions energy: -400.317 where: short stacking energy: -229.565 Base-Backbone interact. energy: 5.787 local terms energy: -361.932319 where: bonds (distance) C4'-P energy: -103.567 bonds (distance) P-C4' energy: -120.833 flat angles C4'-P-C4' energy: -90.711 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: 5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2401.868004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.868004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.868004 (E_RNA) where: Base-Base interactions energy: -1685.765 where: short stacking energy: -712.618 Base-Backbone interact. energy: -3.390 local terms energy: -712.712855 where: bonds (distance) C4'-P energy: -116.461 bonds (distance) P-C4' energy: -138.175 flat angles C4'-P-C4' energy: -152.867 flat angles P-C4'-P energy: -107.548 tors. eta vs tors. theta energy: -197.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2378.028283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.028283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.028283 (E_RNA) where: Base-Base interactions energy: -1681.183 where: short stacking energy: -701.677 Base-Backbone interact. energy: 2.273 local terms energy: -699.117960 where: bonds (distance) C4'-P energy: -119.852 bonds (distance) P-C4' energy: -135.364 flat angles C4'-P-C4' energy: -148.703 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -202.342 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: 369 Temperature: 1.000000 Total energy: -2290.419477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.419477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.419477 (E_RNA) where: Base-Base interactions energy: -1618.206 where: short stacking energy: -697.687 Base-Backbone interact. energy: -3.412 local terms energy: -668.801377 where: bonds (distance) C4'-P energy: -124.721 bonds (distance) P-C4' energy: -117.508 flat angles C4'-P-C4' energy: -143.519 flat angles P-C4'-P energy: -96.750 tors. eta vs tors. theta energy: -186.303 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: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2113.422018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.422018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.422018 (E_RNA) where: Base-Base interactions energy: -1493.269 where: short stacking energy: -623.862 Base-Backbone interact. energy: 1.550 local terms energy: -621.702925 where: bonds (distance) C4'-P energy: -135.947 bonds (distance) P-C4' energy: -115.199 flat angles C4'-P-C4' energy: -115.806 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -159.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2054.405125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.405125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.405125 (E_RNA) where: Base-Base interactions energy: -1431.542 where: short stacking energy: -612.531 Base-Backbone interact. energy: 5.442 local terms energy: -628.305142 where: bonds (distance) C4'-P energy: -117.745 bonds (distance) P-C4' energy: -113.860 flat angles C4'-P-C4' energy: -142.302 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -163.136 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: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1914.062179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.062179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.062179 (E_RNA) where: Base-Base interactions energy: -1348.716 where: short stacking energy: -606.518 Base-Backbone interact. energy: -2.171 local terms energy: -563.175508 where: bonds (distance) C4'-P energy: -96.572 bonds (distance) P-C4' energy: -104.588 flat angles C4'-P-C4' energy: -141.359 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -165.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1802.204954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.204954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.204954 (E_RNA) where: Base-Base interactions energy: -1217.438 where: short stacking energy: -517.473 Base-Backbone interact. energy: -2.709 local terms energy: -582.058016 where: bonds (distance) C4'-P energy: -102.864 bonds (distance) P-C4' energy: -133.435 flat angles C4'-P-C4' energy: -132.679 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -128.640 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: 8, replica: 10 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1615.122939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.122939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.122939 (E_RNA) where: Base-Base interactions energy: -1104.550 where: short stacking energy: -460.434 Base-Backbone interact. energy: -4.004 local terms energy: -506.569117 where: bonds (distance) C4'-P energy: -88.933 bonds (distance) P-C4' energy: -119.237 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -76.653 tors. eta vs tors. theta energy: -100.065 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: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -956.073064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.073064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.073064 (E_RNA) where: Base-Base interactions energy: -542.577 where: short stacking energy: -254.978 Base-Backbone interact. energy: -2.448 local terms energy: -411.048116 where: bonds (distance) C4'-P energy: -115.734 bonds (distance) P-C4' energy: -113.072 flat angles C4'-P-C4' energy: -84.988 flat angles P-C4'-P energy: -72.176 tors. eta vs tors. theta energy: -25.078 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: 2 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -764.379536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.379536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.379536 (E_RNA) where: Base-Base interactions energy: -410.692 where: short stacking energy: -198.224 Base-Backbone interact. energy: -1.819 local terms energy: -351.868589 where: bonds (distance) C4'-P energy: -102.377 bonds (distance) P-C4' energy: -104.391 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: 16.512 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: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2423.790866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.790866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.790866 (E_RNA) where: Base-Base interactions energy: -1707.077 where: short stacking energy: -719.952 Base-Backbone interact. energy: 3.911 local terms energy: -720.624153 where: bonds (distance) C4'-P energy: -135.104 bonds (distance) P-C4' energy: -132.489 flat angles C4'-P-C4' energy: -153.797 flat angles P-C4'-P energy: -94.468 tors. eta vs tors. theta energy: -204.767 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: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2351.071350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.071350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.071350 (E_RNA) where: Base-Base interactions energy: -1676.834 where: short stacking energy: -706.741 Base-Backbone interact. energy: -3.211 local terms energy: -671.026645 where: bonds (distance) C4'-P energy: -106.408 bonds (distance) P-C4' energy: -113.264 flat angles C4'-P-C4' energy: -146.048 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -196.957 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: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2269.752042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.752042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.752042 (E_RNA) where: Base-Base interactions energy: -1595.788 where: short stacking energy: -689.297 Base-Backbone interact. energy: -1.813 local terms energy: -672.151351 where: bonds (distance) C4'-P energy: -112.815 bonds (distance) P-C4' energy: -135.685 flat angles C4'-P-C4' energy: -143.170 flat angles P-C4'-P energy: -99.843 tors. eta vs tors. theta energy: -180.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2172.176569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.176569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.176569 (E_RNA) where: Base-Base interactions energy: -1550.768 where: short stacking energy: -642.581 Base-Backbone interact. energy: 1.547 local terms energy: -622.955109 where: bonds (distance) C4'-P energy: -98.854 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -147.256 flat angles P-C4'-P energy: -73.921 tors. eta vs tors. theta energy: -169.046 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: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1993.548683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.548683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.548683 (E_RNA) where: Base-Base interactions energy: -1401.367 where: short stacking energy: -575.813 Base-Backbone interact. energy: -3.716 local terms energy: -588.465576 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -131.702 flat angles C4'-P-C4' energy: -141.910 flat angles P-C4'-P energy: -79.462 tors. eta vs tors. theta energy: -147.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1936.274360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.274360 (E_RNA) where: Base-Base interactions energy: -1360.858 where: short stacking energy: -582.715 Base-Backbone interact. energy: -0.553 local terms energy: -574.863864 where: bonds (distance) C4'-P energy: -97.145 bonds (distance) P-C4' energy: -107.227 flat angles C4'-P-C4' energy: -138.222 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -157.443 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: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1745.907013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.907013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.907013 (E_RNA) where: Base-Base interactions energy: -1204.036 where: short stacking energy: -507.527 Base-Backbone interact. energy: -1.672 local terms energy: -540.199674 where: bonds (distance) C4'-P energy: -102.124 bonds (distance) P-C4' energy: -106.620 flat angles C4'-P-C4' energy: -135.694 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: -124.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1585.554745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.554745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.554745 (E_RNA) where: Base-Base interactions energy: -1108.093 where: short stacking energy: -494.909 Base-Backbone interact. energy: 0.983 local terms energy: -478.445336 where: bonds (distance) C4'-P energy: -97.686 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -123.480 flat angles P-C4'-P energy: -67.820 tors. eta vs tors. theta energy: -110.898 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: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1011.272083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.272083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.272083 (E_RNA) where: Base-Base interactions energy: -595.677 where: short stacking energy: -293.985 Base-Backbone interact. energy: -1.247 local terms energy: -414.347799 where: bonds (distance) C4'-P energy: -115.532 bonds (distance) P-C4' energy: -111.346 flat angles C4'-P-C4' energy: -120.283 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -854.527508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.527508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.527508 (E_RNA) where: Base-Base interactions energy: -492.738 where: short stacking energy: -268.098 Base-Backbone interact. energy: -1.991 local terms energy: -359.798430 where: bonds (distance) C4'-P energy: -108.249 bonds (distance) P-C4' energy: -91.786 flat angles C4'-P-C4' energy: -97.029 flat angles P-C4'-P energy: -62.741 tors. eta vs tors. theta energy: 0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2444.140117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.140117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.140117 (E_RNA) where: Base-Base interactions energy: -1710.225 where: short stacking energy: -705.928 Base-Backbone interact. energy: -1.347 local terms energy: -732.567950 where: bonds (distance) C4'-P energy: -138.038 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -160.940 flat angles P-C4'-P energy: -98.999 tors. eta vs tors. theta energy: -203.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2347.606301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.606301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.606301 (E_RNA) where: Base-Base interactions energy: -1658.641 where: short stacking energy: -703.466 Base-Backbone interact. energy: 2.381 local terms energy: -691.346894 where: bonds (distance) C4'-P energy: -128.544 bonds (distance) P-C4' energy: -130.133 flat angles C4'-P-C4' energy: -146.656 flat angles P-C4'-P energy: -104.492 tors. eta vs tors. theta energy: -181.522 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: 371 Temperature: 1.000000 Total energy: -2308.108470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.108470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.108470 (E_RNA) where: Base-Base interactions energy: -1654.434 where: short stacking energy: -651.118 Base-Backbone interact. energy: -4.534 local terms energy: -649.140646 where: bonds (distance) C4'-P energy: -118.174 bonds (distance) P-C4' energy: -120.661 flat angles C4'-P-C4' energy: -137.983 flat angles P-C4'-P energy: -97.149 tors. eta vs tors. theta energy: -175.173 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: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2091.471128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.471128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.471128 (E_RNA) where: Base-Base interactions energy: -1466.666 where: short stacking energy: -590.218 Base-Backbone interact. energy: 2.416 local terms energy: -627.221060 where: bonds (distance) C4'-P energy: -113.729 bonds (distance) P-C4' energy: -139.452 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -144.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2067.944925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.944925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.944925 (E_RNA) where: Base-Base interactions energy: -1449.967 where: short stacking energy: -609.872 Base-Backbone interact. energy: 3.155 local terms energy: -621.133227 where: bonds (distance) C4'-P energy: -103.060 bonds (distance) P-C4' energy: -135.995 flat angles C4'-P-C4' energy: -137.936 flat angles P-C4'-P energy: -85.477 tors. eta vs tors. theta energy: -158.665 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1942.341267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.341267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.341267 (E_RNA) where: Base-Base interactions energy: -1356.093 where: short stacking energy: -573.121 Base-Backbone interact. energy: -4.128 local terms energy: -582.119984 where: bonds (distance) C4'-P energy: -101.443 bonds (distance) P-C4' energy: -118.747 flat angles C4'-P-C4' energy: -138.296 flat angles P-C4'-P energy: -79.338 tors. eta vs tors. theta energy: -144.297 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1725.404142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.404142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.404142 (E_RNA) where: Base-Base interactions energy: -1136.064 where: short stacking energy: -503.744 Base-Backbone interact. energy: -2.408 local terms energy: -586.932014 where: bonds (distance) C4'-P energy: -125.605 bonds (distance) P-C4' energy: -120.585 flat angles C4'-P-C4' energy: -134.000 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -139.864 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1613.823242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.823242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.823242 (E_RNA) where: Base-Base interactions energy: -1102.439 where: short stacking energy: -491.727 Base-Backbone interact. energy: 9.485 local terms energy: -520.868323 where: bonds (distance) C4'-P energy: -101.738 bonds (distance) P-C4' energy: -118.114 flat angles C4'-P-C4' energy: -121.627 flat angles P-C4'-P energy: -60.595 tors. eta vs tors. theta energy: -118.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1066.860621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.860621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.860621 (E_RNA) where: Base-Base interactions energy: -633.422 where: short stacking energy: -317.932 Base-Backbone interact. energy: -4.017 local terms energy: -429.421806 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -119.824 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -58.385 tors. eta vs tors. theta energy: -47.003 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: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -927.521224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.521224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.521224 (E_RNA) where: Base-Base interactions energy: -510.661 where: short stacking energy: -242.519 Base-Backbone interact. energy: -0.721 local terms energy: -416.140072 where: bonds (distance) C4'-P energy: -106.095 bonds (distance) P-C4' energy: -103.793 flat angles C4'-P-C4' energy: -102.350 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -33.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2389.929984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.929984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.929984 (E_RNA) where: Base-Base interactions energy: -1679.153 where: short stacking energy: -705.238 Base-Backbone interact. energy: -1.297 local terms energy: -709.480275 where: bonds (distance) C4'-P energy: -123.277 bonds (distance) P-C4' energy: -133.915 flat angles C4'-P-C4' energy: -155.105 flat angles P-C4'-P energy: -100.623 tors. eta vs tors. theta energy: -196.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2326.271114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.271114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.271114 (E_RNA) where: Base-Base interactions energy: -1618.340 where: short stacking energy: -698.701 Base-Backbone interact. energy: -2.817 local terms energy: -705.114666 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -142.876 flat angles P-C4'-P energy: -98.777 tors. eta vs tors. theta energy: -185.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2301.802638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.802638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.802638 (E_RNA) where: Base-Base interactions energy: -1633.642 where: short stacking energy: -699.168 Base-Backbone interact. energy: -4.505 local terms energy: -663.655961 where: bonds (distance) C4'-P energy: -117.314 bonds (distance) P-C4' energy: -122.485 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -95.914 tors. eta vs tors. theta energy: -178.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2127.119331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.119331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.119331 (E_RNA) where: Base-Base interactions energy: -1524.690 where: short stacking energy: -623.365 Base-Backbone interact. energy: 1.965 local terms energy: -604.394435 where: bonds (distance) C4'-P energy: -114.386 bonds (distance) P-C4' energy: -118.910 flat angles C4'-P-C4' energy: -129.588 flat angles P-C4'-P energy: -82.556 tors. eta vs tors. theta energy: -158.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2034.077844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.077844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.077844 (E_RNA) where: Base-Base interactions energy: -1400.271 where: short stacking energy: -602.546 Base-Backbone interact. energy: -1.308 local terms energy: -632.499413 where: bonds (distance) C4'-P energy: -114.341 bonds (distance) P-C4' energy: -123.592 flat angles C4'-P-C4' energy: -139.010 flat angles P-C4'-P energy: -85.347 tors. eta vs tors. theta energy: -170.210 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: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1924.697988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.697988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.697988 (E_RNA) where: Base-Base interactions energy: -1319.856 where: short stacking energy: -545.175 Base-Backbone interact. energy: 1.450 local terms energy: -606.292662 where: bonds (distance) C4'-P energy: -117.314 bonds (distance) P-C4' energy: -111.928 flat angles C4'-P-C4' energy: -136.426 flat angles P-C4'-P energy: -94.625 tors. eta vs tors. theta energy: -145.999 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: 7, replica: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1763.337503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.337503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.337503 (E_RNA) where: Base-Base interactions energy: -1167.569 where: short stacking energy: -510.578 Base-Backbone interact. energy: 4.877 local terms energy: -600.645550 where: bonds (distance) C4'-P energy: -121.054 bonds (distance) P-C4' energy: -122.563 flat angles C4'-P-C4' energy: -128.980 flat angles P-C4'-P energy: -72.493 tors. eta vs tors. theta energy: -155.555 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: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1597.278826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.278826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.278826 (E_RNA) where: Base-Base interactions energy: -1091.336 where: short stacking energy: -449.963 Base-Backbone interact. energy: -0.606 local terms energy: -505.335927 where: bonds (distance) C4'-P energy: -88.411 bonds (distance) P-C4' energy: -116.380 flat angles C4'-P-C4' energy: -128.814 flat angles P-C4'-P energy: -74.462 tors. eta vs tors. theta energy: -97.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1007.520083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.520083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.520083 (E_RNA) where: Base-Base interactions energy: -565.077 where: short stacking energy: -303.278 Base-Backbone interact. energy: -0.473 local terms energy: -441.970209 where: bonds (distance) C4'-P energy: -117.249 bonds (distance) P-C4' energy: -106.453 flat angles C4'-P-C4' energy: -121.570 flat angles P-C4'-P energy: -51.481 tors. eta vs tors. theta energy: -45.217 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: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -902.492598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.492598 (E_RNA) where: Base-Base interactions energy: -505.458 where: short stacking energy: -266.647 Base-Backbone interact. energy: 7.543 local terms energy: -404.577750 where: bonds (distance) C4'-P energy: -99.899 bonds (distance) P-C4' energy: -124.079 flat angles C4'-P-C4' energy: -110.437 flat angles P-C4'-P energy: -48.806 tors. eta vs tors. theta energy: -21.356 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: 373 Temperature: 0.900000 Total energy: -2409.362115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.362115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.362115 (E_RNA) where: Base-Base interactions energy: -1676.065 where: short stacking energy: -697.415 Base-Backbone interact. energy: -2.123 local terms energy: -731.173906 where: bonds (distance) C4'-P energy: -140.593 bonds (distance) P-C4' energy: -135.778 flat angles C4'-P-C4' energy: -141.370 flat angles P-C4'-P energy: -114.406 tors. eta vs tors. theta energy: -199.026 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: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2362.846742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.846742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.846742 (E_RNA) where: Base-Base interactions energy: -1661.971 where: short stacking energy: -684.016 Base-Backbone interact. energy: -2.757 local terms energy: -698.119163 where: bonds (distance) C4'-P energy: -119.966 bonds (distance) P-C4' energy: -141.312 flat angles C4'-P-C4' energy: -148.156 flat angles P-C4'-P energy: -101.118 tors. eta vs tors. theta energy: -187.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2254.024847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.024847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.024847 (E_RNA) where: Base-Base interactions energy: -1601.459 where: short stacking energy: -687.312 Base-Backbone interact. energy: -3.430 local terms energy: -649.136222 where: bonds (distance) C4'-P energy: -119.603 bonds (distance) P-C4' energy: -113.922 flat angles C4'-P-C4' energy: -150.917 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -176.436 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: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2134.219793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.219793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.219793 (E_RNA) where: Base-Base interactions energy: -1472.954 where: short stacking energy: -610.816 Base-Backbone interact. energy: -2.102 local terms energy: -659.164050 where: bonds (distance) C4'-P energy: -111.711 bonds (distance) P-C4' energy: -136.291 flat angles C4'-P-C4' energy: -148.290 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: -165.959 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: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2038.211396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.211396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.211396 (E_RNA) where: Base-Base interactions energy: -1411.232 where: short stacking energy: -616.576 Base-Backbone interact. energy: -0.753 local terms energy: -626.227025 where: bonds (distance) C4'-P energy: -128.499 bonds (distance) P-C4' energy: -95.390 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -185.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1928.175333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.175333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.175333 (E_RNA) where: Base-Base interactions energy: -1310.402 where: short stacking energy: -556.065 Base-Backbone interact. energy: -0.775 local terms energy: -616.998042 where: bonds (distance) C4'-P energy: -118.808 bonds (distance) P-C4' energy: -127.489 flat angles C4'-P-C4' energy: -126.279 flat angles P-C4'-P energy: -89.615 tors. eta vs tors. theta energy: -154.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1757.843668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.843668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.843668 (E_RNA) where: Base-Base interactions energy: -1203.202 where: short stacking energy: -508.183 Base-Backbone interact. energy: -1.954 local terms energy: -552.687030 where: bonds (distance) C4'-P energy: -102.080 bonds (distance) P-C4' energy: -118.306 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -67.198 tors. eta vs tors. theta energy: -126.212 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: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1579.380616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.380616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.380616 (E_RNA) where: Base-Base interactions energy: -1077.300 where: short stacking energy: -478.861 Base-Backbone interact. energy: -0.645 local terms energy: -501.436268 where: bonds (distance) C4'-P energy: -99.995 bonds (distance) P-C4' energy: -89.778 flat angles C4'-P-C4' energy: -133.620 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -105.835 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: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1003.299064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.299064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.299064 (E_RNA) where: Base-Base interactions energy: -590.856 where: short stacking energy: -310.921 Base-Backbone interact. energy: -3.183 local terms energy: -409.260437 where: bonds (distance) C4'-P energy: -98.809 bonds (distance) P-C4' energy: -113.195 flat angles C4'-P-C4' energy: -91.992 flat angles P-C4'-P energy: -53.204 tors. eta vs tors. theta energy: -52.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -925.486119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.486119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.486119 (E_RNA) where: Base-Base interactions energy: -547.248 where: short stacking energy: -269.811 Base-Backbone interact. energy: 1.091 local terms energy: -379.329018 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -96.000 flat angles C4'-P-C4' energy: -100.948 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -35.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2402.440740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.440740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.440740 (E_RNA) where: Base-Base interactions energy: -1701.306 where: short stacking energy: -723.524 Base-Backbone interact. energy: -2.309 local terms energy: -698.825486 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -127.921 flat angles C4'-P-C4' energy: -140.347 flat angles P-C4'-P energy: -90.183 tors. eta vs tors. theta energy: -203.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2378.172028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.172028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.172028 (E_RNA) where: Base-Base interactions energy: -1695.708 where: short stacking energy: -670.202 Base-Backbone interact. energy: 2.834 local terms energy: -685.297891 where: bonds (distance) C4'-P energy: -126.350 bonds (distance) P-C4' energy: -129.371 flat angles C4'-P-C4' energy: -146.741 flat angles P-C4'-P energy: -98.137 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: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2273.425989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.425989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.425989 (E_RNA) where: Base-Base interactions energy: -1582.115 where: short stacking energy: -675.808 Base-Backbone interact. energy: -0.363 local terms energy: -690.947704 where: bonds (distance) C4'-P energy: -115.187 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -143.662 flat angles P-C4'-P energy: -100.118 tors. eta vs tors. theta energy: -188.621 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: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2137.137407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.137407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.137407 (E_RNA) where: Base-Base interactions energy: -1507.480 where: short stacking energy: -640.425 Base-Backbone interact. energy: -2.784 local terms energy: -626.874136 where: bonds (distance) C4'-P energy: -110.653 bonds (distance) P-C4' energy: -129.258 flat angles C4'-P-C4' energy: -130.444 flat angles P-C4'-P energy: -97.316 tors. eta vs tors. theta energy: -159.203 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: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2015.229204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.229204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.229204 (E_RNA) where: Base-Base interactions energy: -1407.081 where: short stacking energy: -585.696 Base-Backbone interact. energy: -2.765 local terms energy: -605.383242 where: bonds (distance) C4'-P energy: -109.601 bonds (distance) P-C4' energy: -120.988 flat angles C4'-P-C4' energy: -134.735 flat angles P-C4'-P energy: -87.766 tors. eta vs tors. theta energy: -152.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1959.885605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.885605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.885605 (E_RNA) where: Base-Base interactions energy: -1377.959 where: short stacking energy: -553.457 Base-Backbone interact. energy: -0.529 local terms energy: -581.397371 where: bonds (distance) C4'-P energy: -108.078 bonds (distance) P-C4' energy: -101.440 flat angles C4'-P-C4' energy: -136.156 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -147.611 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: 3 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1771.666280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.666280 (E_RNA) where: Base-Base interactions energy: -1200.220 where: short stacking energy: -528.886 Base-Backbone interact. energy: -2.624 local terms energy: -568.821446 where: bonds (distance) C4'-P energy: -119.434 bonds (distance) P-C4' energy: -115.464 flat angles C4'-P-C4' energy: -130.575 flat angles P-C4'-P energy: -65.918 tors. eta vs tors. theta energy: -137.431 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: 10 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1525.550674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.550674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.550674 (E_RNA) where: Base-Base interactions energy: -1032.464 where: short stacking energy: -435.117 Base-Backbone interact. energy: -4.049 local terms energy: -489.036919 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -105.694 flat angles C4'-P-C4' energy: -115.817 flat angles P-C4'-P energy: -65.607 tors. eta vs tors. theta energy: -107.612 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: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -973.441809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.441809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.441809 (E_RNA) where: Base-Base interactions energy: -586.425 where: short stacking energy: -288.782 Base-Backbone interact. energy: -1.506 local terms energy: -385.510418 where: bonds (distance) C4'-P energy: -98.497 bonds (distance) P-C4' energy: -93.217 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -48.026 tors. eta vs tors. theta energy: -40.748 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: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -899.522082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.522082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.522082 (E_RNA) where: Base-Base interactions energy: -520.601 where: short stacking energy: -259.899 Base-Backbone interact. energy: -0.606 local terms energy: -378.314786 where: bonds (distance) C4'-P energy: -107.314 bonds (distance) P-C4' energy: -106.725 flat angles C4'-P-C4' energy: -71.792 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -22.031 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: 1, replica: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2407.890502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.890502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.890502 (E_RNA) where: Base-Base interactions energy: -1678.734 where: short stacking energy: -691.919 Base-Backbone interact. energy: -1.810 local terms energy: -727.345917 where: bonds (distance) C4'-P energy: -130.277 bonds (distance) P-C4' energy: -129.533 flat angles C4'-P-C4' energy: -155.308 flat angles P-C4'-P energy: -115.035 tors. eta vs tors. theta energy: -197.193 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: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2359.971497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.971497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.971497 (E_RNA) where: Base-Base interactions energy: -1692.044 where: short stacking energy: -689.387 Base-Backbone interact. energy: -1.769 local terms energy: -666.158364 where: bonds (distance) C4'-P energy: -131.892 bonds (distance) P-C4' energy: -105.118 flat angles C4'-P-C4' energy: -141.997 flat angles P-C4'-P energy: -99.766 tors. eta vs tors. theta energy: -187.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2251.586140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.586140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.586140 (E_RNA) where: Base-Base interactions energy: -1578.080 where: short stacking energy: -674.441 Base-Backbone interact. energy: 1.688 local terms energy: -675.194206 where: bonds (distance) C4'-P energy: -113.793 bonds (distance) P-C4' energy: -129.401 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -99.916 tors. eta vs tors. theta energy: -186.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2111.310477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.310477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.310477 (E_RNA) where: Base-Base interactions energy: -1495.400 where: short stacking energy: -613.254 Base-Backbone interact. energy: 2.107 local terms energy: -618.017836 where: bonds (distance) C4'-P energy: -113.118 bonds (distance) P-C4' energy: -118.364 flat angles C4'-P-C4' energy: -145.173 flat angles P-C4'-P energy: -86.049 tors. eta vs tors. theta energy: -155.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2051.683774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.683774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.683774 (E_RNA) where: Base-Base interactions energy: -1432.929 where: short stacking energy: -572.880 Base-Backbone interact. energy: 0.885 local terms energy: -619.639905 where: bonds (distance) C4'-P energy: -126.202 bonds (distance) P-C4' energy: -122.051 flat angles C4'-P-C4' energy: -130.224 flat angles P-C4'-P energy: -77.424 tors. eta vs tors. theta energy: -163.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1940.977152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.977152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.977152 (E_RNA) where: Base-Base interactions energy: -1320.877 where: short stacking energy: -558.000 Base-Backbone interact. energy: -3.422 local terms energy: -616.678895 where: bonds (distance) C4'-P energy: -119.452 bonds (distance) P-C4' energy: -140.708 flat angles C4'-P-C4' energy: -126.327 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -149.744 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: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1762.089906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.089906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.089906 (E_RNA) where: Base-Base interactions energy: -1207.885 where: short stacking energy: -530.509 Base-Backbone interact. energy: -1.767 local terms energy: -552.437980 where: bonds (distance) C4'-P energy: -110.373 bonds (distance) P-C4' energy: -107.912 flat angles C4'-P-C4' energy: -127.861 flat angles P-C4'-P energy: -77.997 tors. eta vs tors. theta energy: -128.296 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: 375 Temperature: 1.250000 Total energy: -1566.630441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.630441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.630441 (E_RNA) where: Base-Base interactions energy: -1051.317 where: short stacking energy: -442.190 Base-Backbone interact. energy: -2.347 local terms energy: -512.965728 where: bonds (distance) C4'-P energy: -115.122 bonds (distance) P-C4' energy: -112.811 flat angles C4'-P-C4' energy: -108.640 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -101.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -962.453991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.453991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.453991 (E_RNA) where: Base-Base interactions energy: -537.585 where: short stacking energy: -278.801 Base-Backbone interact. energy: -2.407 local terms energy: -422.462587 where: bonds (distance) C4'-P energy: -106.679 bonds (distance) P-C4' energy: -115.087 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -53.405 tors. eta vs tors. theta energy: -47.488 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: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -915.754225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.754225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.754225 (E_RNA) where: Base-Base interactions energy: -551.081 where: short stacking energy: -271.162 Base-Backbone interact. energy: 2.558 local terms energy: -367.231098 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -104.635 flat angles C4'-P-C4' energy: -99.982 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -17.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2438.335377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.335377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.335377 (E_RNA) where: Base-Base interactions energy: -1723.207 where: short stacking energy: -712.808 Base-Backbone interact. energy: -0.956 local terms energy: -714.172326 where: bonds (distance) C4'-P energy: -137.953 bonds (distance) P-C4' energy: -144.895 flat angles C4'-P-C4' energy: -152.130 flat angles P-C4'-P energy: -80.909 tors. eta vs tors. theta energy: -198.286 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: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2367.956776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.956776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.956776 (E_RNA) where: Base-Base interactions energy: -1675.874 where: short stacking energy: -692.270 Base-Backbone interact. energy: 0.768 local terms energy: -692.851249 where: bonds (distance) C4'-P energy: -120.025 bonds (distance) P-C4' energy: -139.214 flat angles C4'-P-C4' energy: -144.384 flat angles P-C4'-P energy: -101.891 tors. eta vs tors. theta energy: -187.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2270.666128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.666128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.666128 (E_RNA) where: Base-Base interactions energy: -1587.398 where: short stacking energy: -674.394 Base-Backbone interact. energy: -4.001 local terms energy: -679.266898 where: bonds (distance) C4'-P energy: -131.362 bonds (distance) P-C4' energy: -118.155 flat angles C4'-P-C4' energy: -154.542 flat angles P-C4'-P energy: -94.947 tors. eta vs tors. theta energy: -180.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2088.063382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.063382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.063382 (E_RNA) where: Base-Base interactions energy: -1468.125 where: short stacking energy: -608.836 Base-Backbone interact. energy: -0.181 local terms energy: -619.757537 where: bonds (distance) C4'-P energy: -126.176 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -141.738 flat angles P-C4'-P energy: -92.006 tors. eta vs tors. theta energy: -142.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2054.119056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.119056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.119056 (E_RNA) where: Base-Base interactions energy: -1447.882 where: short stacking energy: -604.184 Base-Backbone interact. energy: 4.079 local terms energy: -610.315674 where: bonds (distance) C4'-P energy: -94.624 bonds (distance) P-C4' energy: -132.769 flat angles C4'-P-C4' energy: -139.938 flat angles P-C4'-P energy: -81.718 tors. eta vs tors. theta energy: -161.267 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: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1972.405040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.405040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.405040 (E_RNA) where: Base-Base interactions energy: -1383.015 where: short stacking energy: -603.455 Base-Backbone interact. energy: -0.619 local terms energy: -588.770514 where: bonds (distance) C4'-P energy: -107.802 bonds (distance) P-C4' energy: -121.164 flat angles C4'-P-C4' energy: -123.996 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -154.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1718.098442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.098442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.098442 (E_RNA) where: Base-Base interactions energy: -1186.741 where: short stacking energy: -517.382 Base-Backbone interact. energy: -2.131 local terms energy: -529.226823 where: bonds (distance) C4'-P energy: -94.477 bonds (distance) P-C4' energy: -102.113 flat angles C4'-P-C4' energy: -125.791 flat angles P-C4'-P energy: -74.347 tors. eta vs tors. theta energy: -132.500 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: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1608.023694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.023694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.023694 (E_RNA) where: Base-Base interactions energy: -1089.778 where: short stacking energy: -464.677 Base-Backbone interact. energy: 3.235 local terms energy: -521.480526 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -96.968 flat angles C4'-P-C4' energy: -126.591 flat angles P-C4'-P energy: -65.888 tors. eta vs tors. theta energy: -132.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -944.603459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.603459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.603459 (E_RNA) where: Base-Base interactions energy: -559.537 where: short stacking energy: -280.746 Base-Backbone interact. energy: 12.079 local terms energy: -397.145424 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -119.580 flat angles C4'-P-C4' energy: -109.958 flat angles P-C4'-P energy: -45.755 tors. eta vs tors. theta energy: -31.656 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: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -920.323774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.323774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.323774 (E_RNA) where: Base-Base interactions energy: -554.027 where: short stacking energy: -270.711 Base-Backbone interact. energy: 6.660 local terms energy: -372.956831 where: bonds (distance) C4'-P energy: -99.546 bonds (distance) P-C4' energy: -120.305 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -15.826 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: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2417.533896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.533896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.533896 (E_RNA) where: Base-Base interactions energy: -1732.585 where: short stacking energy: -710.517 Base-Backbone interact. energy: 2.194 local terms energy: -687.142778 where: bonds (distance) C4'-P energy: -117.013 bonds (distance) P-C4' energy: -122.032 flat angles C4'-P-C4' energy: -147.062 flat angles P-C4'-P energy: -101.643 tors. eta vs tors. theta energy: -199.394 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: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2358.634638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.634638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.634638 (E_RNA) where: Base-Base interactions energy: -1685.701 where: short stacking energy: -692.098 Base-Backbone interact. energy: -1.859 local terms energy: -671.074218 where: bonds (distance) C4'-P energy: -125.380 bonds (distance) P-C4' energy: -120.049 flat angles C4'-P-C4' energy: -150.127 flat angles P-C4'-P energy: -96.103 tors. eta vs tors. theta energy: -179.414 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: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2298.016022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.016022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.016022 (E_RNA) where: Base-Base interactions energy: -1615.462 where: short stacking energy: -666.083 Base-Backbone interact. energy: -2.444 local terms energy: -680.109484 where: bonds (distance) C4'-P energy: -117.427 bonds (distance) P-C4' energy: -130.973 flat angles C4'-P-C4' energy: -135.086 flat angles P-C4'-P energy: -103.301 tors. eta vs tors. theta energy: -193.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2209.670488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.670488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.670488 (E_RNA) where: Base-Base interactions energy: -1553.062 where: short stacking energy: -650.661 Base-Backbone interact. energy: -2.820 local terms energy: -653.788735 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -137.149 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -100.488 tors. eta vs tors. theta energy: -165.045 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: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2007.658951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.658951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.658951 (E_RNA) where: Base-Base interactions energy: -1404.140 where: short stacking energy: -584.381 Base-Backbone interact. energy: -0.656 local terms energy: -602.863825 where: bonds (distance) C4'-P energy: -113.198 bonds (distance) P-C4' energy: -109.711 flat angles C4'-P-C4' energy: -127.072 flat angles P-C4'-P energy: -85.653 tors. eta vs tors. theta energy: -167.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1971.691373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.691373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.691373 (E_RNA) where: Base-Base interactions energy: -1379.507 where: short stacking energy: -569.708 Base-Backbone interact. energy: 0.673 local terms energy: -592.857119 where: bonds (distance) C4'-P energy: -117.785 bonds (distance) P-C4' energy: -116.787 flat angles C4'-P-C4' energy: -127.862 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -154.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1754.665266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.665266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.665266 (E_RNA) where: Base-Base interactions energy: -1184.884 where: short stacking energy: -509.996 Base-Backbone interact. energy: 0.724 local terms energy: -570.505380 where: bonds (distance) C4'-P energy: -110.802 bonds (distance) P-C4' energy: -113.893 flat angles C4'-P-C4' energy: -122.556 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -130.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1570.001799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.001799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.001799 (E_RNA) where: Base-Base interactions energy: -1035.297 where: short stacking energy: -447.997 Base-Backbone interact. energy: 0.001 local terms energy: -534.706091 where: bonds (distance) C4'-P energy: -111.178 bonds (distance) P-C4' energy: -121.600 flat angles C4'-P-C4' energy: -114.532 flat angles P-C4'-P energy: -74.393 tors. eta vs tors. theta energy: -113.004 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: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -979.527478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.527478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.527478 (E_RNA) where: Base-Base interactions energy: -545.809 where: short stacking energy: -276.235 Base-Backbone interact. energy: -0.874 local terms energy: -432.843817 where: bonds (distance) C4'-P energy: -114.407 bonds (distance) P-C4' energy: -115.457 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -72.092 tors. eta vs tors. theta energy: -32.099 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: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -954.527954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.527954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.527954 (E_RNA) where: Base-Base interactions energy: -588.051 where: short stacking energy: -269.963 Base-Backbone interact. energy: -3.348 local terms energy: -363.129019 where: bonds (distance) C4'-P energy: -93.783 bonds (distance) P-C4' energy: -102.102 flat angles C4'-P-C4' energy: -87.744 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -17.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2411.999136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.999136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.999136 (E_RNA) where: Base-Base interactions energy: -1703.618 where: short stacking energy: -718.315 Base-Backbone interact. energy: -1.885 local terms energy: -706.495971 where: bonds (distance) C4'-P energy: -143.475 bonds (distance) P-C4' energy: -118.012 flat angles C4'-P-C4' energy: -158.282 flat angles P-C4'-P energy: -100.478 tors. eta vs tors. theta energy: -186.250 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: 378 Temperature: 0.950000 Total energy: -2379.319437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.319437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.319437 (E_RNA) where: Base-Base interactions energy: -1667.129 where: short stacking energy: -682.134 Base-Backbone interact. energy: -4.357 local terms energy: -707.833834 where: bonds (distance) C4'-P energy: -132.165 bonds (distance) P-C4' energy: -134.665 flat angles C4'-P-C4' energy: -148.565 flat angles P-C4'-P energy: -96.361 tors. eta vs tors. theta energy: -196.077 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: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2292.385447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.385447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.385447 (E_RNA) where: Base-Base interactions energy: -1662.637 where: short stacking energy: -662.339 Base-Backbone interact. energy: 1.506 local terms energy: -631.255240 where: bonds (distance) C4'-P energy: -105.788 bonds (distance) P-C4' energy: -132.788 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -72.739 tors. eta vs tors. theta energy: -177.424 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: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2151.561940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.561940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.561940 (E_RNA) where: Base-Base interactions energy: -1531.263 where: short stacking energy: -630.518 Base-Backbone interact. energy: -0.955 local terms energy: -619.343393 where: bonds (distance) C4'-P energy: -117.854 bonds (distance) P-C4' energy: -124.422 flat angles C4'-P-C4' energy: -121.770 flat angles P-C4'-P energy: -93.553 tors. eta vs tors. theta energy: -161.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1990.479712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.479712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.479712 (E_RNA) where: Base-Base interactions energy: -1366.209 where: short stacking energy: -595.835 Base-Backbone interact. energy: -2.167 local terms energy: -622.103747 where: bonds (distance) C4'-P energy: -119.325 bonds (distance) P-C4' energy: -118.742 flat angles C4'-P-C4' energy: -146.634 flat angles P-C4'-P energy: -80.868 tors. eta vs tors. theta energy: -156.535 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: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1965.542807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.542807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.542807 (E_RNA) where: Base-Base interactions energy: -1337.796 where: short stacking energy: -586.149 Base-Backbone interact. energy: 0.629 local terms energy: -628.376504 where: bonds (distance) C4'-P energy: -110.874 bonds (distance) P-C4' energy: -132.525 flat angles C4'-P-C4' energy: -129.253 flat angles P-C4'-P energy: -95.258 tors. eta vs tors. theta energy: -160.466 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: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1714.548897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.548897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.548897 (E_RNA) where: Base-Base interactions energy: -1136.954 where: short stacking energy: -507.867 Base-Backbone interact. energy: -3.247 local terms energy: -574.348114 where: bonds (distance) C4'-P energy: -98.930 bonds (distance) P-C4' energy: -126.297 flat angles C4'-P-C4' energy: -140.814 flat angles P-C4'-P energy: -75.928 tors. eta vs tors. theta energy: -132.380 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: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1605.092032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.092032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.092032 (E_RNA) where: Base-Base interactions energy: -1102.662 where: short stacking energy: -474.934 Base-Backbone interact. energy: -1.666 local terms energy: -500.764041 where: bonds (distance) C4'-P energy: -112.797 bonds (distance) P-C4' energy: -106.044 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: -113.679 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: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -946.466513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.466513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.466513 (E_RNA) where: Base-Base interactions energy: -559.915 where: short stacking energy: -294.622 Base-Backbone interact. energy: -1.652 local terms energy: -384.899370 where: bonds (distance) C4'-P energy: -101.557 bonds (distance) P-C4' energy: -102.214 flat angles C4'-P-C4' energy: -95.964 flat angles P-C4'-P energy: -64.532 tors. eta vs tors. theta energy: -20.632 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: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -954.426978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.426978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.426978 (E_RNA) where: Base-Base interactions energy: -554.570 where: short stacking energy: -267.306 Base-Backbone interact. energy: -1.975 local terms energy: -397.881401 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -118.592 flat angles C4'-P-C4' energy: -116.314 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -16.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2372.178427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.178427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.178427 (E_RNA) where: Base-Base interactions energy: -1665.315 where: short stacking energy: -702.389 Base-Backbone interact. energy: -4.333 local terms energy: -702.530024 where: bonds (distance) C4'-P energy: -136.080 bonds (distance) P-C4' energy: -119.422 flat angles C4'-P-C4' energy: -155.453 flat angles P-C4'-P energy: -105.356 tors. eta vs tors. theta energy: -186.218 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: 379 Temperature: 0.950000 Total energy: -2357.014349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.014349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.014349 (E_RNA) where: Base-Base interactions energy: -1676.691 where: short stacking energy: -668.804 Base-Backbone interact. energy: -2.194 local terms energy: -678.129987 where: bonds (distance) C4'-P energy: -137.148 bonds (distance) P-C4' energy: -129.154 flat angles C4'-P-C4' energy: -137.406 flat angles P-C4'-P energy: -97.855 tors. eta vs tors. theta energy: -176.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2289.857333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.857333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.857333 (E_RNA) where: Base-Base interactions energy: -1637.936 where: short stacking energy: -688.261 Base-Backbone interact. energy: 1.418 local terms energy: -653.339247 where: bonds (distance) C4'-P energy: -117.108 bonds (distance) P-C4' energy: -114.688 flat angles C4'-P-C4' energy: -151.266 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -184.264 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: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2186.914454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.914454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.914454 (E_RNA) where: Base-Base interactions energy: -1545.705 where: short stacking energy: -659.555 Base-Backbone interact. energy: -0.411 local terms energy: -640.798975 where: bonds (distance) C4'-P energy: -115.810 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -140.270 flat angles P-C4'-P energy: -86.017 tors. eta vs tors. theta energy: -173.624 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: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2003.606287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.606287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.606287 (E_RNA) where: Base-Base interactions energy: -1383.873 where: short stacking energy: -595.177 Base-Backbone interact. energy: -2.193 local terms energy: -617.539713 where: bonds (distance) C4'-P energy: -116.456 bonds (distance) P-C4' energy: -119.623 flat angles C4'-P-C4' energy: -134.567 flat angles P-C4'-P energy: -78.685 tors. eta vs tors. theta energy: -168.209 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: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1862.551347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.551347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.551347 (E_RNA) where: Base-Base interactions energy: -1280.844 where: short stacking energy: -558.741 Base-Backbone interact. energy: 1.279 local terms energy: -582.986091 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -129.681 flat angles C4'-P-C4' energy: -121.505 flat angles P-C4'-P energy: -75.363 tors. eta vs tors. theta energy: -143.183 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: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1716.934716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.934716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.934716 (E_RNA) where: Base-Base interactions energy: -1183.628 where: short stacking energy: -533.779 Base-Backbone interact. energy: 2.913 local terms energy: -536.219576 where: bonds (distance) C4'-P energy: -100.549 bonds (distance) P-C4' energy: -116.749 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -67.861 tors. eta vs tors. theta energy: -137.455 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: 10 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1594.916160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.916160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.916160 (E_RNA) where: Base-Base interactions energy: -1062.053 where: short stacking energy: -462.391 Base-Backbone interact. energy: 5.361 local terms energy: -538.223932 where: bonds (distance) C4'-P energy: -112.891 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -114.149 flat angles P-C4'-P energy: -91.381 tors. eta vs tors. theta energy: -120.434 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: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -964.355368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.355368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.355368 (E_RNA) where: Base-Base interactions energy: -601.557 where: short stacking energy: -293.665 Base-Backbone interact. energy: -1.660 local terms energy: -361.137990 where: bonds (distance) C4'-P energy: -103.146 bonds (distance) P-C4' energy: -96.914 flat angles C4'-P-C4' energy: -97.376 flat angles P-C4'-P energy: -41.056 tors. eta vs tors. theta energy: -22.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -879.361899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.361899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.361899 (E_RNA) where: Base-Base interactions energy: -503.817 where: short stacking energy: -263.490 Base-Backbone interact. energy: 5.194 local terms energy: -380.738400 where: bonds (distance) C4'-P energy: -114.070 bonds (distance) P-C4' energy: -88.652 flat angles C4'-P-C4' energy: -97.580 flat angles P-C4'-P energy: -56.696 tors. eta vs tors. theta energy: -23.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2398.218070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.218070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.218070 (E_RNA) where: Base-Base interactions energy: -1678.094 where: short stacking energy: -702.205 Base-Backbone interact. energy: -8.828 local terms energy: -711.296368 where: bonds (distance) C4'-P energy: -115.014 bonds (distance) P-C4' energy: -146.221 flat angles C4'-P-C4' energy: -152.925 flat angles P-C4'-P energy: -107.751 tors. eta vs tors. theta energy: -189.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2361.573281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.573281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.573281 (E_RNA) where: Base-Base interactions energy: -1694.414 where: short stacking energy: -707.291 Base-Backbone interact. energy: -1.861 local terms energy: -665.298188 where: bonds (distance) C4'-P energy: -120.221 bonds (distance) P-C4' energy: -118.743 flat angles C4'-P-C4' energy: -149.136 flat angles P-C4'-P energy: -85.678 tors. eta vs tors. theta energy: -191.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2310.857671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.857671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.857671 (E_RNA) where: Base-Base interactions energy: -1629.617 where: short stacking energy: -674.968 Base-Backbone interact. energy: 0.719 local terms energy: -681.959537 where: bonds (distance) C4'-P energy: -134.297 bonds (distance) P-C4' energy: -116.993 flat angles C4'-P-C4' energy: -137.459 flat angles P-C4'-P energy: -101.719 tors. eta vs tors. theta energy: -191.491 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: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2185.753097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.753097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.753097 (E_RNA) where: Base-Base interactions energy: -1536.215 where: short stacking energy: -631.451 Base-Backbone interact. energy: 3.277 local terms energy: -652.815710 where: bonds (distance) C4'-P energy: -122.918 bonds (distance) P-C4' energy: -128.798 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -91.929 tors. eta vs tors. theta energy: -177.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2003.388395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.388395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.388395 (E_RNA) where: Base-Base interactions energy: -1392.232 where: short stacking energy: -566.114 Base-Backbone interact. energy: -0.035 local terms energy: -611.122115 where: bonds (distance) C4'-P energy: -115.087 bonds (distance) P-C4' energy: -121.035 flat angles C4'-P-C4' energy: -127.936 flat angles P-C4'-P energy: -88.538 tors. eta vs tors. theta energy: -158.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1955.259669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.259669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.259669 (E_RNA) where: Base-Base interactions energy: -1384.878 where: short stacking energy: -573.458 Base-Backbone interact. energy: -2.383 local terms energy: -567.998556 where: bonds (distance) C4'-P energy: -99.442 bonds (distance) P-C4' energy: -107.530 flat angles C4'-P-C4' energy: -134.218 flat angles P-C4'-P energy: -70.008 tors. eta vs tors. theta energy: -156.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1785.316192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.316192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.316192 (E_RNA) where: Base-Base interactions energy: -1207.783 where: short stacking energy: -533.443 Base-Backbone interact. energy: -0.101 local terms energy: -577.432974 where: bonds (distance) C4'-P energy: -119.934 bonds (distance) P-C4' energy: -105.534 flat angles C4'-P-C4' energy: -133.380 flat angles P-C4'-P energy: -77.734 tors. eta vs tors. theta energy: -140.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1553.006127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.006127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.006127 (E_RNA) where: Base-Base interactions energy: -1057.943 where: short stacking energy: -433.305 Base-Backbone interact. energy: -0.281 local terms energy: -494.782788 where: bonds (distance) C4'-P energy: -107.153 bonds (distance) P-C4' energy: -106.431 flat angles C4'-P-C4' energy: -107.213 flat angles P-C4'-P energy: -80.994 tors. eta vs tors. theta energy: -92.992 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: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -986.684158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.684158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.684158 (E_RNA) where: Base-Base interactions energy: -588.379 where: short stacking energy: -293.549 Base-Backbone interact. energy: -2.670 local terms energy: -395.634670 where: bonds (distance) C4'-P energy: -102.634 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -99.382 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -41.249 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: 2 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -803.054785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.054785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.054785 (E_RNA) where: Base-Base interactions energy: -454.958 where: short stacking energy: -227.482 Base-Backbone interact. energy: -1.919 local terms energy: -346.176969 where: bonds (distance) C4'-P energy: -75.557 bonds (distance) P-C4' energy: -102.084 flat angles C4'-P-C4' energy: -102.994 flat angles P-C4'-P energy: -44.218 tors. eta vs tors. theta energy: -21.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2390.370869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.370869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.370869 (E_RNA) where: Base-Base interactions energy: -1660.377 where: short stacking energy: -716.539 Base-Backbone interact. energy: -1.005 local terms energy: -728.988986 where: bonds (distance) C4'-P energy: -130.925 bonds (distance) P-C4' energy: -131.242 flat angles C4'-P-C4' energy: -160.649 flat angles P-C4'-P energy: -108.502 tors. eta vs tors. theta energy: -197.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2370.382166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.382166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.382166 (E_RNA) where: Base-Base interactions energy: -1685.195 where: short stacking energy: -690.088 Base-Backbone interact. energy: -0.829 local terms energy: -684.358421 where: bonds (distance) C4'-P energy: -119.352 bonds (distance) P-C4' energy: -137.481 flat angles C4'-P-C4' energy: -145.626 flat angles P-C4'-P energy: -88.229 tors. eta vs tors. theta energy: -193.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2290.998608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.998608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.998608 (E_RNA) where: Base-Base interactions energy: -1656.465 where: short stacking energy: -677.419 Base-Backbone interact. energy: -2.439 local terms energy: -632.094566 where: bonds (distance) C4'-P energy: -108.025 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -137.107 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: -195.403 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: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2072.135125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.135125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.135125 (E_RNA) where: Base-Base interactions energy: -1450.352 where: short stacking energy: -632.019 Base-Backbone interact. energy: -1.750 local terms energy: -620.032938 where: bonds (distance) C4'-P energy: -106.900 bonds (distance) P-C4' energy: -114.242 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -91.374 tors. eta vs tors. theta energy: -163.653 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: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2105.813587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.813587 (E_RNA) where: Base-Base interactions energy: -1485.094 where: short stacking energy: -598.446 Base-Backbone interact. energy: -2.666 local terms energy: -618.053878 where: bonds (distance) C4'-P energy: -115.888 bonds (distance) P-C4' energy: -118.846 flat angles C4'-P-C4' energy: -135.387 flat angles P-C4'-P energy: -93.807 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: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1921.586573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.586573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.586573 (E_RNA) where: Base-Base interactions energy: -1342.008 where: short stacking energy: -531.827 Base-Backbone interact. energy: -0.303 local terms energy: -579.275666 where: bonds (distance) C4'-P energy: -124.486 bonds (distance) P-C4' energy: -116.176 flat angles C4'-P-C4' energy: -122.235 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -135.696 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: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1725.476449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.476449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.476449 (E_RNA) where: Base-Base interactions energy: -1164.874 where: short stacking energy: -543.079 Base-Backbone interact. energy: 2.490 local terms energy: -563.092833 where: bonds (distance) C4'-P energy: -121.891 bonds (distance) P-C4' energy: -117.987 flat angles C4'-P-C4' energy: -120.310 flat angles P-C4'-P energy: -63.919 tors. eta vs tors. theta energy: -138.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1586.359961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.359961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.359961 (E_RNA) where: Base-Base interactions energy: -1058.033 where: short stacking energy: -453.061 Base-Backbone interact. energy: 0.530 local terms energy: -528.856963 where: bonds (distance) C4'-P energy: -112.638 bonds (distance) P-C4' energy: -113.991 flat angles C4'-P-C4' energy: -119.656 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -103.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1006.763561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.763561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.763561 (E_RNA) where: Base-Base interactions energy: -625.787 where: short stacking energy: -313.830 Base-Backbone interact. energy: 0.852 local terms energy: -381.828819 where: bonds (distance) C4'-P energy: -80.951 bonds (distance) P-C4' energy: -117.252 flat angles C4'-P-C4' energy: -103.631 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -28.091 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: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -881.184972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.184972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.184972 (E_RNA) where: Base-Base interactions energy: -511.249 where: short stacking energy: -254.229 Base-Backbone interact. energy: 2.914 local terms energy: -372.849650 where: bonds (distance) C4'-P energy: -99.241 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -87.328 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: -15.630 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: 1, replica: 5 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2430.044714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.044714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.044714 (E_RNA) where: Base-Base interactions energy: -1721.784 where: short stacking energy: -710.504 Base-Backbone interact. energy: -3.739 local terms energy: -704.521687 where: bonds (distance) C4'-P energy: -119.000 bonds (distance) P-C4' energy: -128.703 flat angles C4'-P-C4' energy: -143.375 flat angles P-C4'-P energy: -110.588 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: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2363.735338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.735338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.735338 (E_RNA) where: Base-Base interactions energy: -1677.373 where: short stacking energy: -700.774 Base-Backbone interact. energy: -2.246 local terms energy: -684.116438 where: bonds (distance) C4'-P energy: -134.761 bonds (distance) P-C4' energy: -123.249 flat angles C4'-P-C4' energy: -142.739 flat angles P-C4'-P energy: -99.457 tors. eta vs tors. theta energy: -183.911 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: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2298.843331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.843331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.843331 (E_RNA) where: Base-Base interactions energy: -1646.711 where: short stacking energy: -682.859 Base-Backbone interact. energy: -0.909 local terms energy: -651.223762 where: bonds (distance) C4'-P energy: -107.584 bonds (distance) P-C4' energy: -118.568 flat angles C4'-P-C4' energy: -143.408 flat angles P-C4'-P energy: -92.694 tors. eta vs tors. theta energy: -188.970 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: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2054.870139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.870139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.870139 (E_RNA) where: Base-Base interactions energy: -1424.108 where: short stacking energy: -628.055 Base-Backbone interact. energy: -2.152 local terms energy: -628.610170 where: bonds (distance) C4'-P energy: -110.518 bonds (distance) P-C4' energy: -111.964 flat angles C4'-P-C4' energy: -145.868 flat angles P-C4'-P energy: -87.568 tors. eta vs tors. theta energy: -172.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2072.249568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.249568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.249568 (E_RNA) where: Base-Base interactions energy: -1460.723 where: short stacking energy: -572.692 Base-Backbone interact. energy: 2.316 local terms energy: -613.842950 where: bonds (distance) C4'-P energy: -108.368 bonds (distance) P-C4' energy: -124.947 flat angles C4'-P-C4' energy: -139.129 flat angles P-C4'-P energy: -92.801 tors. eta vs tors. theta energy: -148.598 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: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1966.626425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.626425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.626425 (E_RNA) where: Base-Base interactions energy: -1360.347 where: short stacking energy: -567.933 Base-Backbone interact. energy: -0.627 local terms energy: -605.652448 where: bonds (distance) C4'-P energy: -108.291 bonds (distance) P-C4' energy: -123.307 flat angles C4'-P-C4' energy: -128.146 flat angles P-C4'-P energy: -104.697 tors. eta vs tors. theta energy: -141.212 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: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1708.840032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.840032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.840032 (E_RNA) where: Base-Base interactions energy: -1122.659 where: short stacking energy: -504.562 Base-Backbone interact. energy: -3.097 local terms energy: -583.083871 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -109.808 flat angles C4'-P-C4' energy: -135.371 flat angles P-C4'-P energy: -96.529 tors. eta vs tors. theta energy: -127.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1548.488172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.488172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.488172 (E_RNA) where: Base-Base interactions energy: -1057.332 where: short stacking energy: -441.544 Base-Backbone interact. energy: -1.506 local terms energy: -489.650153 where: bonds (distance) C4'-P energy: -92.121 bonds (distance) P-C4' energy: -105.608 flat angles C4'-P-C4' energy: -111.913 flat angles P-C4'-P energy: -65.705 tors. eta vs tors. theta energy: -114.303 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: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1022.418434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.418434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.418434 (E_RNA) where: Base-Base interactions energy: -646.362 where: short stacking energy: -334.688 Base-Backbone interact. energy: 3.739 local terms energy: -379.795181 where: bonds (distance) C4'-P energy: -93.123 bonds (distance) P-C4' energy: -102.493 flat angles C4'-P-C4' energy: -103.318 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -30.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -870.382938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.382938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.382938 (E_RNA) where: Base-Base interactions energy: -488.453 where: short stacking energy: -251.499 Base-Backbone interact. energy: 2.924 local terms energy: -384.853761 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -119.863 flat angles C4'-P-C4' energy: -102.423 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -23.033 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: 383 Temperature: 0.900000 Total energy: -2435.718006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.718006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.718006 (E_RNA) where: Base-Base interactions energy: -1725.155 where: short stacking energy: -719.567 Base-Backbone interact. energy: -3.188 local terms energy: -707.375239 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -131.212 flat angles C4'-P-C4' energy: -150.783 flat angles P-C4'-P energy: -102.814 tors. eta vs tors. theta energy: -197.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2367.444704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.444704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.444704 (E_RNA) where: Base-Base interactions energy: -1670.571 where: short stacking energy: -704.704 Base-Backbone interact. energy: -3.792 local terms energy: -693.081170 where: bonds (distance) C4'-P energy: -138.000 bonds (distance) P-C4' energy: -124.644 flat angles C4'-P-C4' energy: -152.279 flat angles P-C4'-P energy: -89.605 tors. eta vs tors. theta energy: -188.554 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: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2298.727786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.727786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.727786 (E_RNA) where: Base-Base interactions energy: -1630.006 where: short stacking energy: -667.220 Base-Backbone interact. energy: -1.552 local terms energy: -667.170055 where: bonds (distance) C4'-P energy: -123.392 bonds (distance) P-C4' energy: -118.944 flat angles C4'-P-C4' energy: -145.929 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -188.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2131.411115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.411115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.411115 (E_RNA) where: Base-Base interactions energy: -1533.813 where: short stacking energy: -626.217 Base-Backbone interact. energy: -0.221 local terms energy: -597.377324 where: bonds (distance) C4'-P energy: -112.150 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -131.478 flat angles P-C4'-P energy: -90.620 tors. eta vs tors. theta energy: -152.686 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: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2002.558863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.558863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.558863 (E_RNA) where: Base-Base interactions energy: -1385.376 where: short stacking energy: -600.028 Base-Backbone interact. energy: -6.882 local terms energy: -610.301006 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -117.837 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -163.595 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: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1984.949881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.949881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.949881 (E_RNA) where: Base-Base interactions energy: -1381.514 where: short stacking energy: -587.397 Base-Backbone interact. energy: -5.348 local terms energy: -598.088349 where: bonds (distance) C4'-P energy: -110.820 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -122.824 flat angles P-C4'-P energy: -92.495 tors. eta vs tors. theta energy: -159.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1712.673477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.673477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.673477 (E_RNA) where: Base-Base interactions energy: -1163.041 where: short stacking energy: -494.565 Base-Backbone interact. energy: -2.315 local terms energy: -547.318033 where: bonds (distance) C4'-P energy: -96.818 bonds (distance) P-C4' energy: -101.704 flat angles C4'-P-C4' energy: -126.038 flat angles P-C4'-P energy: -89.624 tors. eta vs tors. theta energy: -133.134 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: 383 Temperature: 1.250000 Total energy: -1484.665654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.665654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.665654 (E_RNA) where: Base-Base interactions energy: -977.786 where: short stacking energy: -443.458 Base-Backbone interact. energy: -1.992 local terms energy: -504.887456 where: bonds (distance) C4'-P energy: -115.375 bonds (distance) P-C4' energy: -109.530 flat angles C4'-P-C4' energy: -122.319 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -92.870 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: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1012.128718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.128718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.128718 (E_RNA) where: Base-Base interactions energy: -593.759 where: short stacking energy: -295.800 Base-Backbone interact. energy: -2.630 local terms energy: -415.739748 where: bonds (distance) C4'-P energy: -106.727 bonds (distance) P-C4' energy: -115.599 flat angles C4'-P-C4' energy: -101.425 flat angles P-C4'-P energy: -61.257 tors. eta vs tors. theta energy: -30.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -890.141468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.141468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.141468 (E_RNA) where: Base-Base interactions energy: -527.116 where: short stacking energy: -256.489 Base-Backbone interact. energy: 4.321 local terms energy: -367.346580 where: bonds (distance) C4'-P energy: -78.281 bonds (distance) P-C4' energy: -107.646 flat angles C4'-P-C4' energy: -83.155 flat angles P-C4'-P energy: -74.735 tors. eta vs tors. theta energy: -23.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2431.927690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.927690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.927690 (E_RNA) where: Base-Base interactions energy: -1731.571 where: short stacking energy: -720.075 Base-Backbone interact. energy: -2.649 local terms energy: -697.708642 where: bonds (distance) C4'-P energy: -131.719 bonds (distance) P-C4' energy: -133.618 flat angles C4'-P-C4' energy: -148.789 flat angles P-C4'-P energy: -81.262 tors. eta vs tors. theta energy: -202.320 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2348.975807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.975807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.975807 (E_RNA) where: Base-Base interactions energy: -1688.467 where: short stacking energy: -710.202 Base-Backbone interact. energy: -4.195 local terms energy: -656.313250 where: bonds (distance) C4'-P energy: -112.782 bonds (distance) P-C4' energy: -123.297 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -188.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2252.204786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.204786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.204786 (E_RNA) where: Base-Base interactions energy: -1587.599 where: short stacking energy: -649.423 Base-Backbone interact. energy: -2.427 local terms energy: -662.178954 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -109.364 flat angles C4'-P-C4' energy: -148.422 flat angles P-C4'-P energy: -97.489 tors. eta vs tors. theta energy: -187.274 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: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2132.076584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.076584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.076584 (E_RNA) where: Base-Base interactions energy: -1508.869 where: short stacking energy: -622.010 Base-Backbone interact. energy: -3.461 local terms energy: -619.746476 where: bonds (distance) C4'-P energy: -116.619 bonds (distance) P-C4' energy: -129.709 flat angles C4'-P-C4' energy: -128.283 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -143.700 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: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2039.106573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.106573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.106573 (E_RNA) where: Base-Base interactions energy: -1427.490 where: short stacking energy: -606.856 Base-Backbone interact. energy: -4.919 local terms energy: -606.697416 where: bonds (distance) C4'-P energy: -105.597 bonds (distance) P-C4' energy: -113.330 flat angles C4'-P-C4' energy: -129.420 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -167.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1957.852907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.852907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.852907 (E_RNA) where: Base-Base interactions energy: -1361.271 where: short stacking energy: -591.076 Base-Backbone interact. energy: -3.036 local terms energy: -593.545390 where: bonds (distance) C4'-P energy: -119.901 bonds (distance) P-C4' energy: -103.363 flat angles C4'-P-C4' energy: -136.539 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -160.747 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: 7, replica: 3 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1734.370991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.370991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.370991 (E_RNA) where: Base-Base interactions energy: -1166.484 where: short stacking energy: -497.687 Base-Backbone interact. energy: -0.093 local terms energy: -567.793976 where: bonds (distance) C4'-P energy: -108.530 bonds (distance) P-C4' energy: -122.995 flat angles C4'-P-C4' energy: -134.519 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -128.157 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: 8, replica: 10 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1486.114838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.114838 (E_RNA) where: Base-Base interactions energy: -987.154 where: short stacking energy: -452.978 Base-Backbone interact. energy: 3.238 local terms energy: -502.199174 where: bonds (distance) C4'-P energy: -87.337 bonds (distance) P-C4' energy: -101.392 flat angles C4'-P-C4' energy: -131.918 flat angles P-C4'-P energy: -61.885 tors. eta vs tors. theta energy: -119.667 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: 9, replica: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -984.622787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.622787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.622787 (E_RNA) where: Base-Base interactions energy: -594.446 where: short stacking energy: -276.986 Base-Backbone interact. energy: 1.953 local terms energy: -392.129355 where: bonds (distance) C4'-P energy: -98.965 bonds (distance) P-C4' energy: -119.779 flat angles C4'-P-C4' energy: -94.324 flat angles P-C4'-P energy: -39.982 tors. eta vs tors. theta energy: -39.080 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: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -905.795101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.795101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.795101 (E_RNA) where: Base-Base interactions energy: -524.766 where: short stacking energy: -252.850 Base-Backbone interact. energy: 4.149 local terms energy: -385.178532 where: bonds (distance) C4'-P energy: -110.478 bonds (distance) P-C4' energy: -107.586 flat angles C4'-P-C4' energy: -96.899 flat angles P-C4'-P energy: -47.832 tors. eta vs tors. theta energy: -22.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2433.680740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.680740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.680740 (E_RNA) where: Base-Base interactions energy: -1707.351 where: short stacking energy: -702.787 Base-Backbone interact. energy: -2.626 local terms energy: -723.703319 where: bonds (distance) C4'-P energy: -143.433 bonds (distance) P-C4' energy: -129.639 flat angles C4'-P-C4' energy: -148.471 flat angles P-C4'-P energy: -103.795 tors. eta vs tors. theta energy: -198.366 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: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2325.258602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.258602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.258602 (E_RNA) where: Base-Base interactions energy: -1642.160 where: short stacking energy: -675.835 Base-Backbone interact. energy: -2.835 local terms energy: -680.263569 where: bonds (distance) C4'-P energy: -123.956 bonds (distance) P-C4' energy: -129.073 flat angles C4'-P-C4' energy: -143.451 flat angles P-C4'-P energy: -105.242 tors. eta vs tors. theta energy: -178.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2272.253811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.253811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.253811 (E_RNA) where: Base-Base interactions energy: -1598.298 where: short stacking energy: -667.582 Base-Backbone interact. energy: -1.647 local terms energy: -672.309188 where: bonds (distance) C4'-P energy: -124.857 bonds (distance) P-C4' energy: -118.469 flat angles C4'-P-C4' energy: -148.059 flat angles P-C4'-P energy: -98.456 tors. eta vs tors. theta energy: -182.468 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: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2173.113630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.113630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.113630 (E_RNA) where: Base-Base interactions energy: -1546.100 where: short stacking energy: -606.962 Base-Backbone interact. energy: -1.692 local terms energy: -625.321744 where: bonds (distance) C4'-P energy: -116.389 bonds (distance) P-C4' energy: -117.919 flat angles C4'-P-C4' energy: -140.274 flat angles P-C4'-P energy: -96.004 tors. eta vs tors. theta energy: -154.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2058.836011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.836011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.836011 (E_RNA) where: Base-Base interactions energy: -1445.892 where: short stacking energy: -596.457 Base-Backbone interact. energy: -6.768 local terms energy: -606.175301 where: bonds (distance) C4'-P energy: -123.135 bonds (distance) P-C4' energy: -110.306 flat angles C4'-P-C4' energy: -134.865 flat angles P-C4'-P energy: -77.485 tors. eta vs tors. theta energy: -160.385 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: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1908.555839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.555839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.555839 (E_RNA) where: Base-Base interactions energy: -1334.131 where: short stacking energy: -569.390 Base-Backbone interact. energy: 1.826 local terms energy: -576.251164 where: bonds (distance) C4'-P energy: -102.868 bonds (distance) P-C4' energy: -125.516 flat angles C4'-P-C4' energy: -135.426 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: -144.530 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: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1740.439818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.439818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.439818 (E_RNA) where: Base-Base interactions energy: -1192.981 where: short stacking energy: -524.471 Base-Backbone interact. energy: 4.998 local terms energy: -552.456763 where: bonds (distance) C4'-P energy: -97.798 bonds (distance) P-C4' energy: -115.564 flat angles C4'-P-C4' energy: -120.389 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: -137.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1508.486109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.486109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.486109 (E_RNA) where: Base-Base interactions energy: -1006.793 where: short stacking energy: -445.499 Base-Backbone interact. energy: 3.209 local terms energy: -504.902470 where: bonds (distance) C4'-P energy: -111.794 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -66.521 tors. eta vs tors. theta energy: -110.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1043.204760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.204760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.204760 (E_RNA) where: Base-Base interactions energy: -618.039 where: short stacking energy: -313.609 Base-Backbone interact. energy: 2.600 local terms energy: -427.765915 where: bonds (distance) C4'-P energy: -106.740 bonds (distance) P-C4' energy: -108.794 flat angles C4'-P-C4' energy: -87.415 flat angles P-C4'-P energy: -85.101 tors. eta vs tors. theta energy: -39.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -864.962731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.962731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.962731 (E_RNA) where: Base-Base interactions energy: -493.349 where: short stacking energy: -251.492 Base-Backbone interact. energy: 6.136 local terms energy: -377.750384 where: bonds (distance) C4'-P energy: -107.855 bonds (distance) P-C4' energy: -92.757 flat angles C4'-P-C4' energy: -91.301 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: -22.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2445.688469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.688469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.688469 (E_RNA) where: Base-Base interactions energy: -1727.703 where: short stacking energy: -719.890 Base-Backbone interact. energy: 5.104 local terms energy: -723.089627 where: bonds (distance) C4'-P energy: -127.300 bonds (distance) P-C4' energy: -141.446 flat angles C4'-P-C4' energy: -157.578 flat angles P-C4'-P energy: -98.339 tors. eta vs tors. theta energy: -198.426 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: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2336.777007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.777007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.777007 (E_RNA) where: Base-Base interactions energy: -1668.914 where: short stacking energy: -712.044 Base-Backbone interact. energy: 0.760 local terms energy: -668.623917 where: bonds (distance) C4'-P energy: -119.924 bonds (distance) P-C4' energy: -122.956 flat angles C4'-P-C4' energy: -144.541 flat angles P-C4'-P energy: -97.145 tors. eta vs tors. theta energy: -184.059 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: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2276.582768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.582768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.582768 (E_RNA) where: Base-Base interactions energy: -1596.382 where: short stacking energy: -655.563 Base-Backbone interact. energy: -3.998 local terms energy: -676.202905 where: bonds (distance) C4'-P energy: -111.907 bonds (distance) P-C4' energy: -136.140 flat angles C4'-P-C4' energy: -143.711 flat angles P-C4'-P energy: -98.004 tors. eta vs tors. theta energy: -186.441 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: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2192.352043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.352043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.352043 (E_RNA) where: Base-Base interactions energy: -1564.758 where: short stacking energy: -611.726 Base-Backbone interact. energy: -2.481 local terms energy: -625.112917 where: bonds (distance) C4'-P energy: -115.676 bonds (distance) P-C4' energy: -126.594 flat angles C4'-P-C4' energy: -140.311 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: -155.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2064.189477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.189477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.189477 (E_RNA) where: Base-Base interactions energy: -1452.870 where: short stacking energy: -616.519 Base-Backbone interact. energy: -1.770 local terms energy: -609.549680 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -116.801 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -165.801 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: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1938.125356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.125356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.125356 (E_RNA) where: Base-Base interactions energy: -1365.082 where: short stacking energy: -574.545 Base-Backbone interact. energy: 2.455 local terms energy: -575.498799 where: bonds (distance) C4'-P energy: -113.948 bonds (distance) P-C4' energy: -105.009 flat angles C4'-P-C4' energy: -121.422 flat angles P-C4'-P energy: -76.677 tors. eta vs tors. theta energy: -158.442 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: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1727.927704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.927704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.927704 (E_RNA) where: Base-Base interactions energy: -1163.798 where: short stacking energy: -521.931 Base-Backbone interact. energy: -0.861 local terms energy: -563.268650 where: bonds (distance) C4'-P energy: -107.603 bonds (distance) P-C4' energy: -126.470 flat angles C4'-P-C4' energy: -134.130 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -117.250 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1484.115339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.115339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.115339 (E_RNA) where: Base-Base interactions energy: -973.100 where: short stacking energy: -415.248 Base-Backbone interact. energy: -2.668 local terms energy: -508.347114 where: bonds (distance) C4'-P energy: -102.707 bonds (distance) P-C4' energy: -114.668 flat angles C4'-P-C4' energy: -131.180 flat angles P-C4'-P energy: -69.424 tors. eta vs tors. theta energy: -90.368 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: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1136.859613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.859613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.859613 (E_RNA) where: Base-Base interactions energy: -738.998 where: short stacking energy: -329.496 Base-Backbone interact. energy: 0.114 local terms energy: -397.975349 where: bonds (distance) C4'-P energy: -94.848 bonds (distance) P-C4' energy: -92.733 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -56.905 tors. eta vs tors. theta energy: -44.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -848.037385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.037385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.037385 (E_RNA) where: Base-Base interactions energy: -477.359 where: short stacking energy: -244.557 Base-Backbone interact. energy: -2.124 local terms energy: -368.554468 where: bonds (distance) C4'-P energy: -103.940 bonds (distance) P-C4' energy: -107.454 flat angles C4'-P-C4' energy: -81.288 flat angles P-C4'-P energy: -59.100 tors. eta vs tors. theta energy: -16.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2447.717524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.717524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.717524 (E_RNA) where: Base-Base interactions energy: -1735.768 where: short stacking energy: -691.182 Base-Backbone interact. energy: -1.791 local terms energy: -710.158536 where: bonds (distance) C4'-P energy: -131.068 bonds (distance) P-C4' energy: -128.765 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -99.220 tors. eta vs tors. theta energy: -196.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2380.986149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.986149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.986149 (E_RNA) where: Base-Base interactions energy: -1683.737 where: short stacking energy: -687.581 Base-Backbone interact. energy: -1.413 local terms energy: -695.835837 where: bonds (distance) C4'-P energy: -117.751 bonds (distance) P-C4' energy: -138.267 flat angles C4'-P-C4' energy: -148.903 flat angles P-C4'-P energy: -105.167 tors. eta vs tors. theta energy: -185.747 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: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2293.751710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.751710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.751710 (E_RNA) where: Base-Base interactions energy: -1625.608 where: short stacking energy: -684.158 Base-Backbone interact. energy: -3.319 local terms energy: -664.824539 where: bonds (distance) C4'-P energy: -113.238 bonds (distance) P-C4' energy: -127.273 flat angles C4'-P-C4' energy: -136.218 flat angles P-C4'-P energy: -88.745 tors. eta vs tors. theta energy: -199.351 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: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2170.253578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.253578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.253578 (E_RNA) where: Base-Base interactions energy: -1521.122 where: short stacking energy: -619.330 Base-Backbone interact. energy: -3.106 local terms energy: -646.025600 where: bonds (distance) C4'-P energy: -125.542 bonds (distance) P-C4' energy: -122.316 flat angles C4'-P-C4' energy: -137.286 flat angles P-C4'-P energy: -100.009 tors. eta vs tors. theta energy: -160.872 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: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2010.155366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.155366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.155366 (E_RNA) where: Base-Base interactions energy: -1449.889 where: short stacking energy: -568.746 Base-Backbone interact. energy: -1.760 local terms energy: -558.506564 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -103.968 flat angles C4'-P-C4' energy: -141.892 flat angles P-C4'-P energy: -90.726 tors. eta vs tors. theta energy: -145.105 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: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1959.984023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.984023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.984023 (E_RNA) where: Base-Base interactions energy: -1405.129 where: short stacking energy: -568.244 Base-Backbone interact. energy: -4.437 local terms energy: -550.417512 where: bonds (distance) C4'-P energy: -103.468 bonds (distance) P-C4' energy: -99.472 flat angles C4'-P-C4' energy: -133.602 flat angles P-C4'-P energy: -73.131 tors. eta vs tors. theta energy: -140.744 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: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1728.678306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.678306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.678306 (E_RNA) where: Base-Base interactions energy: -1160.878 where: short stacking energy: -493.310 Base-Backbone interact. energy: -3.010 local terms energy: -564.789969 where: bonds (distance) C4'-P energy: -100.290 bonds (distance) P-C4' energy: -113.730 flat angles C4'-P-C4' energy: -142.360 flat angles P-C4'-P energy: -86.545 tors. eta vs tors. theta energy: -121.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1563.445050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.445050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.445050 (E_RNA) where: Base-Base interactions energy: -1080.057 where: short stacking energy: -456.339 Base-Backbone interact. energy: 0.613 local terms energy: -484.000662 where: bonds (distance) C4'-P energy: -103.227 bonds (distance) P-C4' energy: -102.431 flat angles C4'-P-C4' energy: -109.233 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -93.594 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: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1171.458000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.458000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.458000 (E_RNA) where: Base-Base interactions energy: -744.302 where: short stacking energy: -345.448 Base-Backbone interact. energy: 0.348 local terms energy: -427.503755 where: bonds (distance) C4'-P energy: -102.079 bonds (distance) P-C4' energy: -114.858 flat angles C4'-P-C4' energy: -108.629 flat angles P-C4'-P energy: -62.923 tors. eta vs tors. theta energy: -39.015 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: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -887.851714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.851714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.851714 (E_RNA) where: Base-Base interactions energy: -460.932 where: short stacking energy: -239.862 Base-Backbone interact. energy: -1.324 local terms energy: -425.595287 where: bonds (distance) C4'-P energy: -102.853 bonds (distance) P-C4' energy: -103.718 flat angles C4'-P-C4' energy: -109.781 flat angles P-C4'-P energy: -70.865 tors. eta vs tors. theta energy: -38.379 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: 388 Temperature: 0.900000 Total energy: -2454.469751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.469751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.469751 (E_RNA) where: Base-Base interactions energy: -1742.548 where: short stacking energy: -705.864 Base-Backbone interact. energy: 0.377 local terms energy: -712.298764 where: bonds (distance) C4'-P energy: -124.510 bonds (distance) P-C4' energy: -136.559 flat angles C4'-P-C4' energy: -157.673 flat angles P-C4'-P energy: -90.001 tors. eta vs tors. theta energy: -203.556 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: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2341.066934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.066934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.066934 (E_RNA) where: Base-Base interactions energy: -1654.272 where: short stacking energy: -691.268 Base-Backbone interact. energy: -4.874 local terms energy: -681.921450 where: bonds (distance) C4'-P energy: -120.537 bonds (distance) P-C4' energy: -128.516 flat angles C4'-P-C4' energy: -148.340 flat angles P-C4'-P energy: -93.640 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: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2266.295958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.295958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.295958 (E_RNA) where: Base-Base interactions energy: -1590.382 where: short stacking energy: -645.652 Base-Backbone interact. energy: -4.062 local terms energy: -671.851336 where: bonds (distance) C4'-P energy: -132.051 bonds (distance) P-C4' energy: -123.139 flat angles C4'-P-C4' energy: -145.416 flat angles P-C4'-P energy: -93.048 tors. eta vs tors. theta energy: -178.197 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: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2109.940079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.940079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.940079 (E_RNA) where: Base-Base interactions energy: -1493.861 where: short stacking energy: -625.527 Base-Backbone interact. energy: -1.999 local terms energy: -614.079569 where: bonds (distance) C4'-P energy: -109.273 bonds (distance) P-C4' energy: -128.020 flat angles C4'-P-C4' energy: -141.570 flat angles P-C4'-P energy: -80.567 tors. eta vs tors. theta energy: -154.650 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: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2067.524330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.524330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.524330 (E_RNA) where: Base-Base interactions energy: -1448.496 where: short stacking energy: -621.218 Base-Backbone interact. energy: 1.893 local terms energy: -620.920782 where: bonds (distance) C4'-P energy: -118.696 bonds (distance) P-C4' energy: -118.288 flat angles C4'-P-C4' energy: -124.121 flat angles P-C4'-P energy: -93.207 tors. eta vs tors. theta energy: -166.609 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: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1901.743260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.743260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.743260 (E_RNA) where: Base-Base interactions energy: -1309.187 where: short stacking energy: -549.864 Base-Backbone interact. energy: -1.190 local terms energy: -591.366268 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -110.308 flat angles C4'-P-C4' energy: -117.454 flat angles P-C4'-P energy: -98.135 tors. eta vs tors. theta energy: -142.866 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: 7, replica: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1715.165006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.165006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.165006 (E_RNA) where: Base-Base interactions energy: -1167.478 where: short stacking energy: -517.757 Base-Backbone interact. energy: -0.702 local terms energy: -546.985044 where: bonds (distance) C4'-P energy: -84.955 bonds (distance) P-C4' energy: -120.060 flat angles C4'-P-C4' energy: -125.674 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -133.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1628.264021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.264021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.264021 (E_RNA) where: Base-Base interactions energy: -1112.098 where: short stacking energy: -484.891 Base-Backbone interact. energy: 2.118 local terms energy: -518.284310 where: bonds (distance) C4'-P energy: -109.011 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -117.075 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -104.350 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: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1102.225198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.225198 (E_RNA) where: Base-Base interactions energy: -662.516 where: short stacking energy: -308.687 Base-Backbone interact. energy: -3.047 local terms energy: -436.662201 where: bonds (distance) C4'-P energy: -100.676 bonds (distance) P-C4' energy: -111.791 flat angles C4'-P-C4' energy: -100.417 flat angles P-C4'-P energy: -66.796 tors. eta vs tors. theta energy: -56.981 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: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -892.719803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.719803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.719803 (E_RNA) where: Base-Base interactions energy: -513.588 where: short stacking energy: -268.408 Base-Backbone interact. energy: 3.755 local terms energy: -382.886611 where: bonds (distance) C4'-P energy: -89.042 bonds (distance) P-C4' energy: -126.912 flat angles C4'-P-C4' energy: -93.688 flat angles P-C4'-P energy: -50.927 tors. eta vs tors. theta energy: -22.318 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: 5 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2426.108564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.108564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.108564 (E_RNA) where: Base-Base interactions energy: -1725.986 where: short stacking energy: -712.598 Base-Backbone interact. energy: 2.343 local terms energy: -702.465413 where: bonds (distance) C4'-P energy: -119.305 bonds (distance) P-C4' energy: -129.425 flat angles C4'-P-C4' energy: -149.076 flat angles P-C4'-P energy: -106.494 tors. eta vs tors. theta energy: -198.165 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: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2341.767021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.767021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.767021 (E_RNA) where: Base-Base interactions energy: -1655.265 where: short stacking energy: -699.149 Base-Backbone interact. energy: -3.197 local terms energy: -683.305260 where: bonds (distance) C4'-P energy: -130.793 bonds (distance) P-C4' energy: -145.264 flat angles C4'-P-C4' energy: -135.494 flat angles P-C4'-P energy: -85.807 tors. eta vs tors. theta energy: -185.948 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: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2300.575173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.575173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.575173 (E_RNA) where: Base-Base interactions energy: -1617.434 where: short stacking energy: -670.506 Base-Backbone interact. energy: -2.761 local terms energy: -680.380812 where: bonds (distance) C4'-P energy: -123.251 bonds (distance) P-C4' energy: -126.677 flat angles C4'-P-C4' energy: -136.975 flat angles P-C4'-P energy: -103.945 tors. eta vs tors. theta energy: -189.533 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: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2121.611363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.611363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.611363 (E_RNA) where: Base-Base interactions energy: -1476.604 where: short stacking energy: -620.951 Base-Backbone interact. energy: -1.380 local terms energy: -643.627417 where: bonds (distance) C4'-P energy: -122.122 bonds (distance) P-C4' energy: -121.976 flat angles C4'-P-C4' energy: -136.578 flat angles P-C4'-P energy: -102.718 tors. eta vs tors. theta energy: -160.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2057.006758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.006758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.006758 (E_RNA) where: Base-Base interactions energy: -1433.797 where: short stacking energy: -585.592 Base-Backbone interact. energy: -1.811 local terms energy: -621.399291 where: bonds (distance) C4'-P energy: -116.808 bonds (distance) P-C4' energy: -125.641 flat angles C4'-P-C4' energy: -127.331 flat angles P-C4'-P energy: -98.597 tors. eta vs tors. theta energy: -153.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1910.254303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.254303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.254303 (E_RNA) where: Base-Base interactions energy: -1323.546 where: short stacking energy: -564.441 Base-Backbone interact. energy: -2.714 local terms energy: -583.994494 where: bonds (distance) C4'-P energy: -120.917 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -136.794 flat angles P-C4'-P energy: -76.947 tors. eta vs tors. theta energy: -145.194 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: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1711.897305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.897305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.897305 (E_RNA) where: Base-Base interactions energy: -1143.288 where: short stacking energy: -513.072 Base-Backbone interact. energy: -3.913 local terms energy: -564.696775 where: bonds (distance) C4'-P energy: -111.092 bonds (distance) P-C4' energy: -112.538 flat angles C4'-P-C4' energy: -129.755 flat angles P-C4'-P energy: -77.271 tors. eta vs tors. theta energy: -134.041 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: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1494.665295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.665295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.665295 (E_RNA) where: Base-Base interactions energy: -1011.089 where: short stacking energy: -439.160 Base-Backbone interact. energy: 8.354 local terms energy: -491.929683 where: bonds (distance) C4'-P energy: -101.712 bonds (distance) P-C4' energy: -113.106 flat angles C4'-P-C4' energy: -127.827 flat angles P-C4'-P energy: -57.674 tors. eta vs tors. theta energy: -91.610 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: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1057.295992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.295992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.295992 (E_RNA) where: Base-Base interactions energy: -660.683 where: short stacking energy: -308.625 Base-Backbone interact. energy: -1.049 local terms energy: -395.564739 where: bonds (distance) C4'-P energy: -105.334 bonds (distance) P-C4' energy: -114.286 flat angles C4'-P-C4' energy: -95.110 flat angles P-C4'-P energy: -36.014 tors. eta vs tors. theta energy: -44.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -865.117137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.117137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.117137 (E_RNA) where: Base-Base interactions energy: -467.136 where: short stacking energy: -238.478 Base-Backbone interact. energy: -0.273 local terms energy: -397.708603 where: bonds (distance) C4'-P energy: -109.847 bonds (distance) P-C4' energy: -123.742 flat angles C4'-P-C4' energy: -94.769 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2439.627260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.627260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.627260 (E_RNA) where: Base-Base interactions energy: -1729.097 where: short stacking energy: -716.246 Base-Backbone interact. energy: -2.663 local terms energy: -707.866686 where: bonds (distance) C4'-P energy: -122.679 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -151.691 flat angles P-C4'-P energy: -100.411 tors. eta vs tors. theta energy: -203.935 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: 2, replica: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2373.745993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.745993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.745993 (E_RNA) where: Base-Base interactions energy: -1659.830 where: short stacking energy: -700.764 Base-Backbone interact. energy: -1.294 local terms energy: -712.621505 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -137.911 flat angles C4'-P-C4' energy: -151.154 flat angles P-C4'-P energy: -99.763 tors. eta vs tors. theta energy: -190.781 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: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2277.759335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.759335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.759335 (E_RNA) where: Base-Base interactions energy: -1616.785 where: short stacking energy: -677.859 Base-Backbone interact. energy: -4.157 local terms energy: -656.817769 where: bonds (distance) C4'-P energy: -116.162 bonds (distance) P-C4' energy: -113.163 flat angles C4'-P-C4' energy: -144.838 flat angles P-C4'-P energy: -92.937 tors. eta vs tors. theta energy: -189.717 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: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2171.929731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.929731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.929731 (E_RNA) where: Base-Base interactions energy: -1528.682 where: short stacking energy: -635.121 Base-Backbone interact. energy: 0.456 local terms energy: -643.703778 where: bonds (distance) C4'-P energy: -122.540 bonds (distance) P-C4' energy: -122.808 flat angles C4'-P-C4' energy: -144.442 flat angles P-C4'-P energy: -90.042 tors. eta vs tors. theta energy: -163.873 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: 390 Temperature: 1.100000 Total energy: -2069.526903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.526903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.526903 (E_RNA) where: Base-Base interactions energy: -1441.044 where: short stacking energy: -593.499 Base-Backbone interact. energy: -4.002 local terms energy: -624.480392 where: bonds (distance) C4'-P energy: -109.772 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -139.402 flat angles P-C4'-P energy: -87.752 tors. eta vs tors. theta energy: -156.417 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: 390 Temperature: 1.150000 Total energy: -1970.727501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.727501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.727501 (E_RNA) where: Base-Base interactions energy: -1367.067 where: short stacking energy: -576.764 Base-Backbone interact. energy: -3.380 local terms energy: -600.280490 where: bonds (distance) C4'-P energy: -115.699 bonds (distance) P-C4' energy: -104.697 flat angles C4'-P-C4' energy: -124.339 flat angles P-C4'-P energy: -86.408 tors. eta vs tors. theta energy: -169.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1731.150837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.150837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.150837 (E_RNA) where: Base-Base interactions energy: -1153.578 where: short stacking energy: -507.202 Base-Backbone interact. energy: 0.340 local terms energy: -577.912684 where: bonds (distance) C4'-P energy: -121.822 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -129.027 flat angles P-C4'-P energy: -77.230 tors. eta vs tors. theta energy: -132.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1572.720044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.720044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.720044 (E_RNA) where: Base-Base interactions energy: -1036.645 where: short stacking energy: -449.618 Base-Backbone interact. energy: -0.981 local terms energy: -535.093680 where: bonds (distance) C4'-P energy: -108.138 bonds (distance) P-C4' energy: -113.297 flat angles C4'-P-C4' energy: -118.800 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: -120.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1125.820664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.820664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.820664 (E_RNA) where: Base-Base interactions energy: -678.889 where: short stacking energy: -317.088 Base-Backbone interact. energy: -0.839 local terms energy: -446.092419 where: bonds (distance) C4'-P energy: -121.428 bonds (distance) P-C4' energy: -118.735 flat angles C4'-P-C4' energy: -90.660 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: -50.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -860.790629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.790629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.790629 (E_RNA) where: Base-Base interactions energy: -482.738 where: short stacking energy: -249.582 Base-Backbone interact. energy: -0.557 local terms energy: -377.495160 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -94.576 flat angles C4'-P-C4' energy: -123.210 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -21.467 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: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2443.570855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.570855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.570855 (E_RNA) where: Base-Base interactions energy: -1760.493 where: short stacking energy: -724.449 Base-Backbone interact. energy: 1.490 local terms energy: -684.567774 where: bonds (distance) C4'-P energy: -119.245 bonds (distance) P-C4' energy: -122.315 flat angles C4'-P-C4' energy: -142.572 flat angles P-C4'-P energy: -102.098 tors. eta vs tors. theta energy: -198.338 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: 2, replica: 8 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2360.924371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.924371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.924371 (E_RNA) where: Base-Base interactions energy: -1678.237 where: short stacking energy: -678.688 Base-Backbone interact. energy: -1.202 local terms energy: -681.485277 where: bonds (distance) C4'-P energy: -119.946 bonds (distance) P-C4' energy: -125.567 flat angles C4'-P-C4' energy: -152.769 flat angles P-C4'-P energy: -101.979 tors. eta vs tors. theta energy: -181.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2256.119815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.119815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.119815 (E_RNA) where: Base-Base interactions energy: -1598.508 where: short stacking energy: -660.733 Base-Backbone interact. energy: -0.309 local terms energy: -657.302636 where: bonds (distance) C4'-P energy: -120.011 bonds (distance) P-C4' energy: -119.177 flat angles C4'-P-C4' energy: -150.511 flat angles P-C4'-P energy: -91.798 tors. eta vs tors. theta energy: -175.806 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: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2114.014689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.014689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.014689 (E_RNA) where: Base-Base interactions energy: -1492.750 where: short stacking energy: -619.100 Base-Backbone interact. energy: 3.102 local terms energy: -624.366584 where: bonds (distance) C4'-P energy: -134.889 bonds (distance) P-C4' energy: -110.537 flat angles C4'-P-C4' energy: -133.216 flat angles P-C4'-P energy: -93.528 tors. eta vs tors. theta energy: -152.196 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: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2082.776265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.776265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.776265 (E_RNA) where: Base-Base interactions energy: -1455.654 where: short stacking energy: -613.798 Base-Backbone interact. energy: -2.431 local terms energy: -624.691900 where: bonds (distance) C4'-P energy: -121.042 bonds (distance) P-C4' energy: -118.518 flat angles C4'-P-C4' energy: -131.494 flat angles P-C4'-P energy: -90.219 tors. eta vs tors. theta energy: -163.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1888.749366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.749366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.749366 (E_RNA) where: Base-Base interactions energy: -1335.404 where: short stacking energy: -561.005 Base-Backbone interact. energy: 0.232 local terms energy: -553.577641 where: bonds (distance) C4'-P energy: -108.485 bonds (distance) P-C4' energy: -120.107 flat angles C4'-P-C4' energy: -110.971 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -139.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1749.117311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.117311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.117311 (E_RNA) where: Base-Base interactions energy: -1187.111 where: short stacking energy: -515.140 Base-Backbone interact. energy: 1.143 local terms energy: -563.149864 where: bonds (distance) C4'-P energy: -115.046 bonds (distance) P-C4' energy: -113.961 flat angles C4'-P-C4' energy: -116.430 flat angles P-C4'-P energy: -75.967 tors. eta vs tors. theta energy: -141.746 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: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1531.483455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.483455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.483455 (E_RNA) where: Base-Base interactions energy: -1018.933 where: short stacking energy: -455.247 Base-Backbone interact. energy: -1.835 local terms energy: -510.715873 where: bonds (distance) C4'-P energy: -92.137 bonds (distance) P-C4' energy: -107.543 flat angles C4'-P-C4' energy: -116.159 flat angles P-C4'-P energy: -83.715 tors. eta vs tors. theta energy: -111.162 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: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1183.178981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.178981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.178981 (E_RNA) where: Base-Base interactions energy: -741.938 where: short stacking energy: -350.244 Base-Backbone interact. energy: -2.634 local terms energy: -438.606871 where: bonds (distance) C4'-P energy: -92.636 bonds (distance) P-C4' energy: -111.376 flat angles C4'-P-C4' energy: -104.202 flat angles P-C4'-P energy: -71.938 tors. eta vs tors. theta energy: -58.455 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: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -821.827407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.827407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.827407 (E_RNA) where: Base-Base interactions energy: -468.272 where: short stacking energy: -200.449 Base-Backbone interact. energy: -1.655 local terms energy: -351.900319 where: bonds (distance) C4'-P energy: -101.664 bonds (distance) P-C4' energy: -110.438 flat angles C4'-P-C4' energy: -78.194 flat angles P-C4'-P energy: -66.912 tors. eta vs tors. theta energy: 5.308 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: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2417.156823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.156823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.156823 (E_RNA) where: Base-Base interactions energy: -1706.672 where: short stacking energy: -711.923 Base-Backbone interact. energy: -2.743 local terms energy: -707.741999 where: bonds (distance) C4'-P energy: -122.657 bonds (distance) P-C4' energy: -126.848 flat angles C4'-P-C4' energy: -152.477 flat angles P-C4'-P energy: -105.620 tors. eta vs tors. theta energy: -200.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2354.571766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.571766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.571766 (E_RNA) where: Base-Base interactions energy: -1653.817 where: short stacking energy: -686.025 Base-Backbone interact. energy: -3.670 local terms energy: -697.084394 where: bonds (distance) C4'-P energy: -132.479 bonds (distance) P-C4' energy: -136.175 flat angles C4'-P-C4' energy: -144.921 flat angles P-C4'-P energy: -91.249 tors. eta vs tors. theta energy: -192.260 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: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2280.831673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.831673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.831673 (E_RNA) where: Base-Base interactions energy: -1627.361 where: short stacking energy: -667.367 Base-Backbone interact. energy: -2.559 local terms energy: -650.912070 where: bonds (distance) C4'-P energy: -110.306 bonds (distance) P-C4' energy: -120.590 flat angles C4'-P-C4' energy: -147.657 flat angles P-C4'-P energy: -91.445 tors. eta vs tors. theta energy: -180.915 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: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2128.589682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.589682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.589682 (E_RNA) where: Base-Base interactions energy: -1482.697 where: short stacking energy: -614.132 Base-Backbone interact. energy: 2.872 local terms energy: -648.764030 where: bonds (distance) C4'-P energy: -131.975 bonds (distance) P-C4' energy: -120.343 flat angles C4'-P-C4' energy: -144.692 flat angles P-C4'-P energy: -93.909 tors. eta vs tors. theta energy: -157.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2080.837890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.837890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.837890 (E_RNA) where: Base-Base interactions energy: -1463.497 where: short stacking energy: -606.893 Base-Backbone interact. energy: -1.660 local terms energy: -615.681201 where: bonds (distance) C4'-P energy: -106.780 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -142.073 flat angles P-C4'-P energy: -90.902 tors. eta vs tors. theta energy: -164.234 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: 6, replica: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1916.593875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.593875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.593875 (E_RNA) where: Base-Base interactions energy: -1328.018 where: short stacking energy: -571.524 Base-Backbone interact. energy: -2.656 local terms energy: -585.919477 where: bonds (distance) C4'-P energy: -118.215 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -123.866 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -150.795 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: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1818.237834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.237834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.237834 (E_RNA) where: Base-Base interactions energy: -1290.019 where: short stacking energy: -567.426 Base-Backbone interact. energy: -1.759 local terms energy: -526.459066 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -98.501 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -133.487 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: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1499.727204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.727204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.727204 (E_RNA) where: Base-Base interactions energy: -1011.544 where: short stacking energy: -429.740 Base-Backbone interact. energy: 0.221 local terms energy: -488.403919 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -105.606 flat angles C4'-P-C4' energy: -123.737 flat angles P-C4'-P energy: -55.568 tors. eta vs tors. theta energy: -112.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1225.804030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.804030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.804030 (E_RNA) where: Base-Base interactions energy: -815.867 where: short stacking energy: -390.231 Base-Backbone interact. energy: -3.332 local terms energy: -406.605019 where: bonds (distance) C4'-P energy: -93.631 bonds (distance) P-C4' energy: -87.274 flat angles C4'-P-C4' energy: -117.435 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -65.722 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: 10, replica: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -829.511490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.511490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.511490 (E_RNA) where: Base-Base interactions energy: -426.287 where: short stacking energy: -221.493 Base-Backbone interact. energy: 3.170 local terms energy: -406.394290 where: bonds (distance) C4'-P energy: -121.062 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -109.822 flat angles P-C4'-P energy: -50.167 tors. eta vs tors. theta energy: -16.894 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: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2425.952000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.952000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.952000 (E_RNA) where: Base-Base interactions energy: -1715.774 where: short stacking energy: -687.891 Base-Backbone interact. energy: -1.298 local terms energy: -708.879617 where: bonds (distance) C4'-P energy: -118.641 bonds (distance) P-C4' energy: -137.564 flat angles C4'-P-C4' energy: -147.823 flat angles P-C4'-P energy: -95.629 tors. eta vs tors. theta energy: -209.223 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: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2328.261647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.261647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.261647 (E_RNA) where: Base-Base interactions energy: -1630.748 where: short stacking energy: -681.944 Base-Backbone interact. energy: -4.003 local terms energy: -693.510321 where: bonds (distance) C4'-P energy: -140.945 bonds (distance) P-C4' energy: -142.816 flat angles C4'-P-C4' energy: -147.285 flat angles P-C4'-P energy: -82.571 tors. eta vs tors. theta energy: -179.894 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2318.877315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.877315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.877315 (E_RNA) where: Base-Base interactions energy: -1625.502 where: short stacking energy: -678.472 Base-Backbone interact. energy: -0.542 local terms energy: -692.833801 where: bonds (distance) C4'-P energy: -127.780 bonds (distance) P-C4' energy: -137.730 flat angles C4'-P-C4' energy: -139.002 flat angles P-C4'-P energy: -96.167 tors. eta vs tors. theta energy: -192.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2103.240074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.240074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.240074 (E_RNA) where: Base-Base interactions energy: -1459.841 where: short stacking energy: -599.933 Base-Backbone interact. energy: 0.169 local terms energy: -643.568634 where: bonds (distance) C4'-P energy: -119.734 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -145.809 flat angles P-C4'-P energy: -91.396 tors. eta vs tors. theta energy: -155.011 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: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2046.025632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.025632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.025632 (E_RNA) where: Base-Base interactions energy: -1409.627 where: short stacking energy: -603.967 Base-Backbone interact. energy: -2.217 local terms energy: -634.181922 where: bonds (distance) C4'-P energy: -118.669 bonds (distance) P-C4' energy: -118.970 flat angles C4'-P-C4' energy: -140.397 flat angles P-C4'-P energy: -88.067 tors. eta vs tors. theta energy: -168.079 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: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1960.657772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.657772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.657772 (E_RNA) where: Base-Base interactions energy: -1340.721 where: short stacking energy: -613.835 Base-Backbone interact. energy: -3.180 local terms energy: -616.756692 where: bonds (distance) C4'-P energy: -111.316 bonds (distance) P-C4' energy: -126.524 flat angles C4'-P-C4' energy: -135.904 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -157.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1746.763205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.763205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.763205 (E_RNA) where: Base-Base interactions energy: -1182.184 where: short stacking energy: -527.541 Base-Backbone interact. energy: -1.677 local terms energy: -562.901801 where: bonds (distance) C4'-P energy: -105.784 bonds (distance) P-C4' energy: -120.484 flat angles C4'-P-C4' energy: -123.231 flat angles P-C4'-P energy: -86.456 tors. eta vs tors. theta energy: -126.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1528.499489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.499489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.499489 (E_RNA) where: Base-Base interactions energy: -1021.076 where: short stacking energy: -428.819 Base-Backbone interact. energy: 1.002 local terms energy: -508.425677 where: bonds (distance) C4'-P energy: -100.479 bonds (distance) P-C4' energy: -107.363 flat angles C4'-P-C4' energy: -131.666 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: -98.850 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: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1246.941961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.941961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.941961 (E_RNA) where: Base-Base interactions energy: -808.885 where: short stacking energy: -346.306 Base-Backbone interact. energy: 4.979 local terms energy: -443.035752 where: bonds (distance) C4'-P energy: -116.431 bonds (distance) P-C4' energy: -96.742 flat angles C4'-P-C4' energy: -107.282 flat angles P-C4'-P energy: -64.777 tors. eta vs tors. theta energy: -57.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -806.103554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.103554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.103554 (E_RNA) where: Base-Base interactions energy: -456.014 where: short stacking energy: -244.932 Base-Backbone interact. energy: 4.663 local terms energy: -354.752748 where: bonds (distance) C4'-P energy: -82.943 bonds (distance) P-C4' energy: -99.163 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -11.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2426.545328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.545328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.545328 (E_RNA) where: Base-Base interactions energy: -1725.261 where: short stacking energy: -709.504 Base-Backbone interact. energy: -0.563 local terms energy: -700.721341 where: bonds (distance) C4'-P energy: -130.989 bonds (distance) P-C4' energy: -138.122 flat angles C4'-P-C4' energy: -149.343 flat angles P-C4'-P energy: -90.252 tors. eta vs tors. theta energy: -192.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2328.833550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.833550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.833550 (E_RNA) where: Base-Base interactions energy: -1657.539 where: short stacking energy: -674.394 Base-Backbone interact. energy: 0.880 local terms energy: -672.174820 where: bonds (distance) C4'-P energy: -117.780 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -142.517 flat angles P-C4'-P energy: -99.846 tors. eta vs tors. theta energy: -187.407 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: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2278.251039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.251039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.251039 (E_RNA) where: Base-Base interactions energy: -1616.397 where: short stacking energy: -673.402 Base-Backbone interact. energy: -0.032 local terms energy: -661.822063 where: bonds (distance) C4'-P energy: -108.667 bonds (distance) P-C4' energy: -109.802 flat angles C4'-P-C4' energy: -152.239 flat angles P-C4'-P energy: -111.279 tors. eta vs tors. theta energy: -179.835 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: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2115.513555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.513555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.513555 (E_RNA) where: Base-Base interactions energy: -1480.293 where: short stacking energy: -627.838 Base-Backbone interact. energy: -3.363 local terms energy: -631.856978 where: bonds (distance) C4'-P energy: -117.816 bonds (distance) P-C4' energy: -110.603 flat angles C4'-P-C4' energy: -141.637 flat angles P-C4'-P energy: -98.046 tors. eta vs tors. theta energy: -163.755 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: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2055.527423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.527423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.527423 (E_RNA) where: Base-Base interactions energy: -1461.900 where: short stacking energy: -606.382 Base-Backbone interact. energy: -3.756 local terms energy: -589.871644 where: bonds (distance) C4'-P energy: -104.242 bonds (distance) P-C4' energy: -120.899 flat angles C4'-P-C4' energy: -133.480 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -163.626 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: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1954.586312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.586312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.586312 (E_RNA) where: Base-Base interactions energy: -1368.093 where: short stacking energy: -558.373 Base-Backbone interact. energy: -2.294 local terms energy: -584.199122 where: bonds (distance) C4'-P energy: -111.028 bonds (distance) P-C4' energy: -113.814 flat angles C4'-P-C4' energy: -126.888 flat angles P-C4'-P energy: -76.629 tors. eta vs tors. theta energy: -155.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1742.855796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.855796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.855796 (E_RNA) where: Base-Base interactions energy: -1177.089 where: short stacking energy: -516.042 Base-Backbone interact. energy: -0.264 local terms energy: -565.502538 where: bonds (distance) C4'-P energy: -112.520 bonds (distance) P-C4' energy: -111.861 flat angles C4'-P-C4' energy: -119.951 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -143.840 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: 8, replica: 10 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1576.575385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.575385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.575385 (E_RNA) where: Base-Base interactions energy: -1093.775 where: short stacking energy: -500.551 Base-Backbone interact. energy: -1.726 local terms energy: -481.074642 where: bonds (distance) C4'-P energy: -89.705 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -102.773 flat angles P-C4'-P energy: -81.043 tors. eta vs tors. theta energy: -109.907 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: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1263.610899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.610899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.610899 (E_RNA) where: Base-Base interactions energy: -809.122 where: short stacking energy: -375.030 Base-Backbone interact. energy: 3.614 local terms energy: -458.102722 where: bonds (distance) C4'-P energy: -94.237 bonds (distance) P-C4' energy: -107.090 flat angles C4'-P-C4' energy: -104.742 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -75.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -791.490334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.490334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.490334 (E_RNA) where: Base-Base interactions energy: -420.206 where: short stacking energy: -233.866 Base-Backbone interact. energy: 2.334 local terms energy: -373.618722 where: bonds (distance) C4'-P energy: -92.150 bonds (distance) P-C4' energy: -125.100 flat angles C4'-P-C4' energy: -91.635 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -15.614 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: 5 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2434.921077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.921077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.921077 (E_RNA) where: Base-Base interactions energy: -1707.181 where: short stacking energy: -695.617 Base-Backbone interact. energy: -1.631 local terms energy: -726.108701 where: bonds (distance) C4'-P energy: -123.919 bonds (distance) P-C4' energy: -129.850 flat angles C4'-P-C4' energy: -156.017 flat angles P-C4'-P energy: -118.490 tors. eta vs tors. theta energy: -197.832 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: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2339.433692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.433692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.433692 (E_RNA) where: Base-Base interactions energy: -1657.098 where: short stacking energy: -680.046 Base-Backbone interact. energy: -2.694 local terms energy: -679.641352 where: bonds (distance) C4'-P energy: -126.977 bonds (distance) P-C4' energy: -131.486 flat angles C4'-P-C4' energy: -139.712 flat angles P-C4'-P energy: -102.820 tors. eta vs tors. theta energy: -178.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2255.244405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.244405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.244405 (E_RNA) where: Base-Base interactions energy: -1585.054 where: short stacking energy: -660.752 Base-Backbone interact. energy: -1.947 local terms energy: -668.243479 where: bonds (distance) C4'-P energy: -126.328 bonds (distance) P-C4' energy: -133.487 flat angles C4'-P-C4' energy: -138.059 flat angles P-C4'-P energy: -88.337 tors. eta vs tors. theta energy: -182.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2131.377960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.377960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.377960 (E_RNA) where: Base-Base interactions energy: -1509.820 where: short stacking energy: -646.221 Base-Backbone interact. energy: 1.584 local terms energy: -623.141636 where: bonds (distance) C4'-P energy: -101.361 bonds (distance) P-C4' energy: -124.979 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -93.380 tors. eta vs tors. theta energy: -166.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2032.503567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.503567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.503567 (E_RNA) where: Base-Base interactions energy: -1425.309 where: short stacking energy: -570.309 Base-Backbone interact. energy: -1.913 local terms energy: -605.281511 where: bonds (distance) C4'-P energy: -122.485 bonds (distance) P-C4' energy: -107.775 flat angles C4'-P-C4' energy: -127.143 flat angles P-C4'-P energy: -97.832 tors. eta vs tors. theta energy: -150.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1950.565073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.565073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.565073 (E_RNA) where: Base-Base interactions energy: -1402.476 where: short stacking energy: -585.210 Base-Backbone interact. energy: -2.531 local terms energy: -545.557896 where: bonds (distance) C4'-P energy: -82.371 bonds (distance) P-C4' energy: -106.261 flat angles C4'-P-C4' energy: -131.411 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -143.735 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: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1782.862850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.862850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.862850 (E_RNA) where: Base-Base interactions energy: -1226.478 where: short stacking energy: -525.583 Base-Backbone interact. energy: 2.604 local terms energy: -558.988707 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -109.864 flat angles C4'-P-C4' energy: -123.537 flat angles P-C4'-P energy: -86.304 tors. eta vs tors. theta energy: -131.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1608.209440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.209440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.209440 (E_RNA) where: Base-Base interactions energy: -1115.326 where: short stacking energy: -464.863 Base-Backbone interact. energy: -0.843 local terms energy: -492.040580 where: bonds (distance) C4'-P energy: -102.282 bonds (distance) P-C4' energy: -104.170 flat angles C4'-P-C4' energy: -117.226 flat angles P-C4'-P energy: -60.513 tors. eta vs tors. theta energy: -107.849 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: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1194.221344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.221344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.221344 (E_RNA) where: Base-Base interactions energy: -751.488 where: short stacking energy: -350.202 Base-Backbone interact. energy: 6.315 local terms energy: -449.048637 where: bonds (distance) C4'-P energy: -109.372 bonds (distance) P-C4' energy: -109.884 flat angles C4'-P-C4' energy: -102.426 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: -63.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -816.907145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.907145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.907145 (E_RNA) where: Base-Base interactions energy: -466.485 where: short stacking energy: -233.854 Base-Backbone interact. energy: -3.718 local terms energy: -346.704394 where: bonds (distance) C4'-P energy: -93.673 bonds (distance) P-C4' energy: -91.445 flat angles C4'-P-C4' energy: -89.423 flat angles P-C4'-P energy: -52.480 tors. eta vs tors. theta energy: -19.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2434.298119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.298119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.298119 (E_RNA) where: Base-Base interactions energy: -1712.587 where: short stacking energy: -701.508 Base-Backbone interact. energy: -2.865 local terms energy: -718.845915 where: bonds (distance) C4'-P energy: -130.227 bonds (distance) P-C4' energy: -136.280 flat angles C4'-P-C4' energy: -143.261 flat angles P-C4'-P energy: -108.142 tors. eta vs tors. theta energy: -200.935 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: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2302.639336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.639336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.639336 (E_RNA) where: Base-Base interactions energy: -1624.160 where: short stacking energy: -668.746 Base-Backbone interact. energy: -0.296 local terms energy: -678.183038 where: bonds (distance) C4'-P energy: -122.871 bonds (distance) P-C4' energy: -140.532 flat angles C4'-P-C4' energy: -149.461 flat angles P-C4'-P energy: -87.482 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: 3, replica: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2293.301453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.301453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.301453 (E_RNA) where: Base-Base interactions energy: -1590.449 where: short stacking energy: -656.250 Base-Backbone interact. energy: -4.603 local terms energy: -698.249602 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -125.722 flat angles C4'-P-C4' energy: -154.545 flat angles P-C4'-P energy: -103.154 tors. eta vs tors. theta energy: -184.205 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: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2135.392170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.392170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.392170 (E_RNA) where: Base-Base interactions energy: -1493.091 where: short stacking energy: -631.462 Base-Backbone interact. energy: -2.665 local terms energy: -639.635944 where: bonds (distance) C4'-P energy: -118.235 bonds (distance) P-C4' energy: -129.879 flat angles C4'-P-C4' energy: -140.421 flat angles P-C4'-P energy: -80.482 tors. eta vs tors. theta energy: -170.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2038.776954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.776954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.776954 (E_RNA) where: Base-Base interactions energy: -1417.701 where: short stacking energy: -599.261 Base-Backbone interact. energy: -2.155 local terms energy: -618.921330 where: bonds (distance) C4'-P energy: -110.599 bonds (distance) P-C4' energy: -123.782 flat angles C4'-P-C4' energy: -143.206 flat angles P-C4'-P energy: -88.996 tors. eta vs tors. theta energy: -152.340 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: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1954.120849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.120849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.120849 (E_RNA) where: Base-Base interactions energy: -1352.096 where: short stacking energy: -569.830 Base-Backbone interact. energy: -5.506 local terms energy: -596.519214 where: bonds (distance) C4'-P energy: -97.620 bonds (distance) P-C4' energy: -124.524 flat angles C4'-P-C4' energy: -146.112 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -149.172 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: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1836.693600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.693600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.693600 (E_RNA) where: Base-Base interactions energy: -1265.987 where: short stacking energy: -558.745 Base-Backbone interact. energy: 4.189 local terms energy: -574.895070 where: bonds (distance) C4'-P energy: -109.625 bonds (distance) P-C4' energy: -119.187 flat angles C4'-P-C4' energy: -116.445 flat angles P-C4'-P energy: -76.376 tors. eta vs tors. theta energy: -153.262 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: 10 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1615.214081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.214081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.214081 (E_RNA) where: Base-Base interactions energy: -1099.178 where: short stacking energy: -458.573 Base-Backbone interact. energy: -2.167 local terms energy: -513.868873 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -106.173 flat angles C4'-P-C4' energy: -128.426 flat angles P-C4'-P energy: -78.045 tors. eta vs tors. theta energy: -113.948 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: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1219.532883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.532883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.532883 (E_RNA) where: Base-Base interactions energy: -766.614 where: short stacking energy: -350.583 Base-Backbone interact. energy: -1.477 local terms energy: -451.441451 where: bonds (distance) C4'-P energy: -97.751 bonds (distance) P-C4' energy: -123.673 flat angles C4'-P-C4' energy: -117.792 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -49.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -814.192865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.192865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.192865 (E_RNA) where: Base-Base interactions energy: -475.669 where: short stacking energy: -261.082 Base-Backbone interact. energy: 0.018 local terms energy: -338.541571 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -80.129 flat angles C4'-P-C4' energy: -85.289 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -21.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2452.320560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.320560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.320560 (E_RNA) where: Base-Base interactions energy: -1730.098 where: short stacking energy: -713.981 Base-Backbone interact. energy: -3.279 local terms energy: -718.943971 where: bonds (distance) C4'-P energy: -131.538 bonds (distance) P-C4' energy: -136.440 flat angles C4'-P-C4' energy: -145.522 flat angles P-C4'-P energy: -99.644 tors. eta vs tors. theta energy: -205.799 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: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2290.927854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.927854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.927854 (E_RNA) where: Base-Base interactions energy: -1616.185 where: short stacking energy: -666.405 Base-Backbone interact. energy: -3.087 local terms energy: -671.655144 where: bonds (distance) C4'-P energy: -134.182 bonds (distance) P-C4' energy: -132.226 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -98.518 tors. eta vs tors. theta energy: -167.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2272.272648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.272648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.272648 (E_RNA) where: Base-Base interactions energy: -1574.413 where: short stacking energy: -668.944 Base-Backbone interact. energy: -1.463 local terms energy: -696.396602 where: bonds (distance) C4'-P energy: -130.779 bonds (distance) P-C4' energy: -131.881 flat angles C4'-P-C4' energy: -142.931 flat angles P-C4'-P energy: -100.092 tors. eta vs tors. theta energy: -190.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2122.889306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.889306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.889306 (E_RNA) where: Base-Base interactions energy: -1474.464 where: short stacking energy: -617.559 Base-Backbone interact. energy: -3.159 local terms energy: -645.266648 where: bonds (distance) C4'-P energy: -122.842 bonds (distance) P-C4' energy: -125.589 flat angles C4'-P-C4' energy: -140.532 flat angles P-C4'-P energy: -90.751 tors. eta vs tors. theta energy: -165.553 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: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2059.759697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.759697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.759697 (E_RNA) where: Base-Base interactions energy: -1430.911 where: short stacking energy: -589.560 Base-Backbone interact. energy: -4.169 local terms energy: -624.679969 where: bonds (distance) C4'-P energy: -102.563 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -132.678 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -162.641 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: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1900.091792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.091792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.091792 (E_RNA) where: Base-Base interactions energy: -1353.605 where: short stacking energy: -564.497 Base-Backbone interact. energy: 0.561 local terms energy: -547.047105 where: bonds (distance) C4'-P energy: -97.728 bonds (distance) P-C4' energy: -100.919 flat angles C4'-P-C4' energy: -123.995 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -140.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1786.763829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.763829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.763829 (E_RNA) where: Base-Base interactions energy: -1280.253 where: short stacking energy: -527.875 Base-Backbone interact. energy: 0.941 local terms energy: -507.451984 where: bonds (distance) C4'-P energy: -91.303 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -122.307 flat angles P-C4'-P energy: -73.586 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1544.468378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.468378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.468378 (E_RNA) where: Base-Base interactions energy: -1049.658 where: short stacking energy: -424.751 Base-Backbone interact. energy: -3.945 local terms energy: -490.865170 where: bonds (distance) C4'-P energy: -96.722 bonds (distance) P-C4' energy: -116.102 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -97.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1213.755213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.755213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.755213 (E_RNA) where: Base-Base interactions energy: -763.760 where: short stacking energy: -329.881 Base-Backbone interact. energy: -1.692 local terms energy: -448.303205 where: bonds (distance) C4'-P energy: -102.900 bonds (distance) P-C4' energy: -119.190 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -79.784 tors. eta vs tors. theta energy: -64.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -890.637648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.637648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.637648 (E_RNA) where: Base-Base interactions energy: -548.622 where: short stacking energy: -256.172 Base-Backbone interact. energy: 0.280 local terms energy: -342.295959 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -90.668 flat angles C4'-P-C4' energy: -107.153 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -8.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2435.647282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.647282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.647282 (E_RNA) where: Base-Base interactions energy: -1730.333 where: short stacking energy: -709.948 Base-Backbone interact. energy: -3.909 local terms energy: -701.405525 where: bonds (distance) C4'-P energy: -124.870 bonds (distance) P-C4' energy: -126.285 flat angles C4'-P-C4' energy: -151.187 flat angles P-C4'-P energy: -97.531 tors. eta vs tors. theta energy: -201.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2342.384482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.384482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.384482 (E_RNA) where: Base-Base interactions energy: -1662.896 where: short stacking energy: -673.979 Base-Backbone interact. energy: -1.202 local terms energy: -678.286645 where: bonds (distance) C4'-P energy: -123.219 bonds (distance) P-C4' energy: -130.396 flat angles C4'-P-C4' energy: -149.843 flat angles P-C4'-P energy: -102.884 tors. eta vs tors. theta energy: -171.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2266.241613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.241613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.241613 (E_RNA) where: Base-Base interactions energy: -1599.556 where: short stacking energy: -663.788 Base-Backbone interact. energy: 1.739 local terms energy: -668.424465 where: bonds (distance) C4'-P energy: -119.061 bonds (distance) P-C4' energy: -125.852 flat angles C4'-P-C4' energy: -140.667 flat angles P-C4'-P energy: -100.069 tors. eta vs tors. theta energy: -182.775 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: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2149.714644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.714644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.714644 (E_RNA) where: Base-Base interactions energy: -1505.844 where: short stacking energy: -624.777 Base-Backbone interact. energy: 1.737 local terms energy: -645.608073 where: bonds (distance) C4'-P energy: -122.122 bonds (distance) P-C4' energy: -123.624 flat angles C4'-P-C4' energy: -144.246 flat angles P-C4'-P energy: -86.596 tors. eta vs tors. theta energy: -169.020 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: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2051.830774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.830774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.830774 (E_RNA) where: Base-Base interactions energy: -1430.024 where: short stacking energy: -593.137 Base-Backbone interact. energy: -2.600 local terms energy: -619.207468 where: bonds (distance) C4'-P energy: -103.544 bonds (distance) P-C4' energy: -117.138 flat angles C4'-P-C4' energy: -140.257 flat angles P-C4'-P energy: -93.772 tors. eta vs tors. theta energy: -164.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1890.071406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.071406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.071406 (E_RNA) where: Base-Base interactions energy: -1310.926 where: short stacking energy: -552.853 Base-Backbone interact. energy: -3.272 local terms energy: -575.873242 where: bonds (distance) C4'-P energy: -111.632 bonds (distance) P-C4' energy: -118.016 flat angles C4'-P-C4' energy: -135.227 flat angles P-C4'-P energy: -77.219 tors. eta vs tors. theta energy: -133.779 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: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1797.816505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.816505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.816505 (E_RNA) where: Base-Base interactions energy: -1256.259 where: short stacking energy: -563.816 Base-Backbone interact. energy: -1.215 local terms energy: -540.342003 where: bonds (distance) C4'-P energy: -98.142 bonds (distance) P-C4' energy: -105.433 flat angles C4'-P-C4' energy: -124.767 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -139.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1602.628734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.628734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.628734 (E_RNA) where: Base-Base interactions energy: -1105.356 where: short stacking energy: -485.970 Base-Backbone interact. energy: -0.230 local terms energy: -497.042620 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -96.993 flat angles C4'-P-C4' energy: -130.651 flat angles P-C4'-P energy: -63.956 tors. eta vs tors. theta energy: -111.583 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: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1262.821978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.821978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.821978 (E_RNA) where: Base-Base interactions energy: -869.894 where: short stacking energy: -395.366 Base-Backbone interact. energy: -0.160 local terms energy: -392.768478 where: bonds (distance) C4'-P energy: -93.426 bonds (distance) P-C4' energy: -114.671 flat angles C4'-P-C4' energy: -82.546 flat angles P-C4'-P energy: -37.471 tors. eta vs tors. theta energy: -64.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -932.978834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.978834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.978834 (E_RNA) where: Base-Base interactions energy: -544.881 where: short stacking energy: -263.117 Base-Backbone interact. energy: 1.121 local terms energy: -389.218805 where: bonds (distance) C4'-P energy: -83.316 bonds (distance) P-C4' energy: -101.199 flat angles C4'-P-C4' energy: -106.709 flat angles P-C4'-P energy: -73.999 tors. eta vs tors. theta energy: -23.996 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: 399 Temperature: 0.900000 Total energy: -2436.011209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.011209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.011209 (E_RNA) where: Base-Base interactions energy: -1712.949 where: short stacking energy: -708.121 Base-Backbone interact. energy: -4.669 local terms energy: -718.392321 where: bonds (distance) C4'-P energy: -123.766 bonds (distance) P-C4' energy: -125.884 flat angles C4'-P-C4' energy: -148.900 flat angles P-C4'-P energy: -111.740 tors. eta vs tors. theta energy: -208.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2357.939882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.939882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.939882 (E_RNA) where: Base-Base interactions energy: -1673.715 where: short stacking energy: -694.471 Base-Backbone interact. energy: -4.518 local terms energy: -679.707097 where: bonds (distance) C4'-P energy: -107.259 bonds (distance) P-C4' energy: -146.070 flat angles C4'-P-C4' energy: -149.075 flat angles P-C4'-P energy: -97.413 tors. eta vs tors. theta energy: -179.890 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2259.455915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.455915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.455915 (E_RNA) where: Base-Base interactions energy: -1605.800 where: short stacking energy: -666.166 Base-Backbone interact. energy: -3.821 local terms energy: -649.835378 where: bonds (distance) C4'-P energy: -107.237 bonds (distance) P-C4' energy: -131.358 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: -186.126 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: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2146.300435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.300435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.300435 (E_RNA) where: Base-Base interactions energy: -1521.488 where: short stacking energy: -644.629 Base-Backbone interact. energy: -2.242 local terms energy: -622.569991 where: bonds (distance) C4'-P energy: -100.984 bonds (distance) P-C4' energy: -129.643 flat angles C4'-P-C4' energy: -146.812 flat angles P-C4'-P energy: -82.158 tors. eta vs tors. theta energy: -162.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2023.069675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.069675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.069675 (E_RNA) where: Base-Base interactions energy: -1418.046 where: short stacking energy: -595.434 Base-Backbone interact. energy: -0.496 local terms energy: -604.527901 where: bonds (distance) C4'-P energy: -120.412 bonds (distance) P-C4' energy: -119.750 flat angles C4'-P-C4' energy: -125.367 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -168.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1950.626998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.626998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.626998 (E_RNA) where: Base-Base interactions energy: -1349.697 where: short stacking energy: -554.111 Base-Backbone interact. energy: -2.345 local terms energy: -598.584850 where: bonds (distance) C4'-P energy: -122.925 bonds (distance) P-C4' energy: -114.617 flat angles C4'-P-C4' energy: -141.377 flat angles P-C4'-P energy: -72.728 tors. eta vs tors. theta energy: -146.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1758.477874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.477874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.477874 (E_RNA) where: Base-Base interactions energy: -1198.057 where: short stacking energy: -530.180 Base-Backbone interact. energy: 3.152 local terms energy: -563.573065 where: bonds (distance) C4'-P energy: -98.129 bonds (distance) P-C4' energy: -105.011 flat angles C4'-P-C4' energy: -137.183 flat angles P-C4'-P energy: -67.392 tors. eta vs tors. theta energy: -155.858 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: 10 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1612.135302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.135302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.135302 (E_RNA) where: Base-Base interactions energy: -1120.186 where: short stacking energy: -468.362 Base-Backbone interact. energy: -4.448 local terms energy: -487.501512 where: bonds (distance) C4'-P energy: -93.876 bonds (distance) P-C4' energy: -121.245 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -101.129 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: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1358.670904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.670904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.670904 (E_RNA) where: Base-Base interactions energy: -938.401 where: short stacking energy: -386.976 Base-Backbone interact. energy: -1.093 local terms energy: -419.176946 where: bonds (distance) C4'-P energy: -108.870 bonds (distance) P-C4' energy: -103.174 flat angles C4'-P-C4' energy: -91.175 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -71.100 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: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -951.694247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.694247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.694247 (E_RNA) where: Base-Base interactions energy: -541.498 where: short stacking energy: -267.769 Base-Backbone interact. energy: -1.459 local terms energy: -408.736820 where: bonds (distance) C4'-P energy: -102.595 bonds (distance) P-C4' energy: -127.351 flat angles C4'-P-C4' energy: -90.735 flat angles P-C4'-P energy: -63.228 tors. eta vs tors. theta energy: -24.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2422.657397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.657397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.657397 (E_RNA) where: Base-Base interactions energy: -1704.665 where: short stacking energy: -686.890 Base-Backbone interact. energy: -3.196 local terms energy: -714.796094 where: bonds (distance) C4'-P energy: -137.374 bonds (distance) P-C4' energy: -136.134 flat angles C4'-P-C4' energy: -136.641 flat angles P-C4'-P energy: -101.048 tors. eta vs tors. theta energy: -203.598 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: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2337.201855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.201855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.201855 (E_RNA) where: Base-Base interactions energy: -1657.453 where: short stacking energy: -678.969 Base-Backbone interact. energy: -2.776 local terms energy: -676.972880 where: bonds (distance) C4'-P energy: -144.464 bonds (distance) P-C4' energy: -125.984 flat angles C4'-P-C4' energy: -137.867 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -183.212 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: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2248.981180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.981180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.981180 (E_RNA) where: Base-Base interactions energy: -1616.664 where: short stacking energy: -656.432 Base-Backbone interact. energy: 3.419 local terms energy: -635.736368 where: bonds (distance) C4'-P energy: -110.952 bonds (distance) P-C4' energy: -111.200 flat angles C4'-P-C4' energy: -142.412 flat angles P-C4'-P energy: -92.057 tors. eta vs tors. theta energy: -179.114 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: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2137.594056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.594056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.594056 (E_RNA) where: Base-Base interactions energy: -1487.132 where: short stacking energy: -620.591 Base-Backbone interact. energy: -4.309 local terms energy: -646.152729 where: bonds (distance) C4'-P energy: -125.832 bonds (distance) P-C4' energy: -122.224 flat angles C4'-P-C4' energy: -140.843 flat angles P-C4'-P energy: -91.179 tors. eta vs tors. theta energy: -166.075 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: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2052.416879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.416879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.416879 (E_RNA) where: Base-Base interactions energy: -1462.515 where: short stacking energy: -610.655 Base-Backbone interact. energy: -1.138 local terms energy: -588.763877 where: bonds (distance) C4'-P energy: -113.078 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -126.674 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -152.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2006.645109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.645109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.645109 (E_RNA) where: Base-Base interactions energy: -1390.658 where: short stacking energy: -574.717 Base-Backbone interact. energy: -1.332 local terms energy: -614.655485 where: bonds (distance) C4'-P energy: -122.760 bonds (distance) P-C4' energy: -133.408 flat angles C4'-P-C4' energy: -127.813 flat angles P-C4'-P energy: -80.218 tors. eta vs tors. theta energy: -150.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1741.069129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.069129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.069129 (E_RNA) where: Base-Base interactions energy: -1175.863 where: short stacking energy: -529.135 Base-Backbone interact. energy: 0.400 local terms energy: -565.606583 where: bonds (distance) C4'-P energy: -98.568 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -114.643 flat angles P-C4'-P energy: -85.355 tors. eta vs tors. theta energy: -156.321 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: 400 Temperature: 1.250000 Total energy: -1628.435439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.435439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.435439 (E_RNA) where: Base-Base interactions energy: -1119.460 where: short stacking energy: -471.693 Base-Backbone interact. energy: 0.206 local terms energy: -509.181347 where: bonds (distance) C4'-P energy: -118.653 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -75.873 tors. eta vs tors. theta energy: -111.208 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1294.327648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.327648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.327648 (E_RNA) where: Base-Base interactions energy: -869.559 where: short stacking energy: -385.929 Base-Backbone interact. energy: 5.653 local terms energy: -430.421386 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -111.620 flat angles C4'-P-C4' energy: -99.004 flat angles P-C4'-P energy: -45.592 tors. eta vs tors. theta energy: -68.170 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: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -875.376845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.376845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.376845 (E_RNA) where: Base-Base interactions energy: -502.588 where: short stacking energy: -278.383 Base-Backbone interact. energy: -0.456 local terms energy: -372.333057 where: bonds (distance) C4'-P energy: -113.439 bonds (distance) P-C4' energy: -85.694 flat angles C4'-P-C4' energy: -102.548 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -22.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2445.925440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.925440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.925440 (E_RNA) where: Base-Base interactions energy: -1719.839 where: short stacking energy: -722.815 Base-Backbone interact. energy: -1.139 local terms energy: -724.948078 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -131.460 flat angles C4'-P-C4' energy: -154.593 flat angles P-C4'-P energy: -104.647 tors. eta vs tors. theta energy: -203.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2341.465882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.465882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.465882 (E_RNA) where: Base-Base interactions energy: -1670.003 where: short stacking energy: -698.742 Base-Backbone interact. energy: 1.081 local terms energy: -672.544053 where: bonds (distance) C4'-P energy: -123.446 bonds (distance) P-C4' energy: -106.816 flat angles C4'-P-C4' energy: -151.042 flat angles P-C4'-P energy: -104.330 tors. eta vs tors. theta energy: -186.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2270.873244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.873244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.873244 (E_RNA) where: Base-Base interactions energy: -1617.346 where: short stacking energy: -682.238 Base-Backbone interact. energy: 0.513 local terms energy: -654.039994 where: bonds (distance) C4'-P energy: -116.317 bonds (distance) P-C4' energy: -109.332 flat angles C4'-P-C4' energy: -139.578 flat angles P-C4'-P energy: -92.120 tors. eta vs tors. theta energy: -196.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2100.494297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.494297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.494297 (E_RNA) where: Base-Base interactions energy: -1485.033 where: short stacking energy: -603.820 Base-Backbone interact. energy: 2.603 local terms energy: -618.064232 where: bonds (distance) C4'-P energy: -125.803 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -130.655 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -168.751 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1999.859392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.859392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.859392 (E_RNA) where: Base-Base interactions energy: -1405.356 where: short stacking energy: -580.574 Base-Backbone interact. energy: -0.652 local terms energy: -593.851498 where: bonds (distance) C4'-P energy: -115.959 bonds (distance) P-C4' energy: -110.258 flat angles C4'-P-C4' energy: -124.461 flat angles P-C4'-P energy: -97.020 tors. eta vs tors. theta energy: -146.153 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: 401 Temperature: 1.150000 Total energy: -1913.605715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.605715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.605715 (E_RNA) where: Base-Base interactions energy: -1328.765 where: short stacking energy: -561.202 Base-Backbone interact. energy: 0.762 local terms energy: -585.603282 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -112.750 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -72.627 tors. eta vs tors. theta energy: -160.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1776.453181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.453181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.453181 (E_RNA) where: Base-Base interactions energy: -1193.538 where: short stacking energy: -537.216 Base-Backbone interact. energy: -3.618 local terms energy: -579.297879 where: bonds (distance) C4'-P energy: -111.615 bonds (distance) P-C4' energy: -115.342 flat angles C4'-P-C4' energy: -122.644 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -137.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1605.335360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.335360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.335360 (E_RNA) where: Base-Base interactions energy: -1085.401 where: short stacking energy: -457.425 Base-Backbone interact. energy: 0.053 local terms energy: -519.987748 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -110.986 flat angles C4'-P-C4' energy: -126.293 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: -100.333 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: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1228.686744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.686744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.686744 (E_RNA) where: Base-Base interactions energy: -769.832 where: short stacking energy: -349.848 Base-Backbone interact. energy: -1.697 local terms energy: -457.157080 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -117.276 flat angles C4'-P-C4' energy: -94.500 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -67.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -883.895049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.895049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.895049 (E_RNA) where: Base-Base interactions energy: -522.406 where: short stacking energy: -242.033 Base-Backbone interact. energy: -0.526 local terms energy: -360.962709 where: bonds (distance) C4'-P energy: -89.436 bonds (distance) P-C4' energy: -113.946 flat angles C4'-P-C4' energy: -102.320 flat angles P-C4'-P energy: -31.698 tors. eta vs tors. theta energy: -23.563 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: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2419.421387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.421387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.421387 (E_RNA) where: Base-Base interactions energy: -1698.828 where: short stacking energy: -718.370 Base-Backbone interact. energy: -3.063 local terms energy: -717.530875 where: bonds (distance) C4'-P energy: -131.209 bonds (distance) P-C4' energy: -140.878 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -201.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2381.468435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.468435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.468435 (E_RNA) where: Base-Base interactions energy: -1676.496 where: short stacking energy: -690.387 Base-Backbone interact. energy: -2.752 local terms energy: -702.220659 where: bonds (distance) C4'-P energy: -134.781 bonds (distance) P-C4' energy: -130.338 flat angles C4'-P-C4' energy: -142.482 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -194.914 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: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2247.544560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.544560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.544560 (E_RNA) where: Base-Base interactions energy: -1575.943 where: short stacking energy: -668.674 Base-Backbone interact. energy: -3.211 local terms energy: -668.391266 where: bonds (distance) C4'-P energy: -116.944 bonds (distance) P-C4' energy: -123.726 flat angles C4'-P-C4' energy: -142.747 flat angles P-C4'-P energy: -97.805 tors. eta vs tors. theta energy: -187.170 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: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2130.894754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.894754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.894754 (E_RNA) where: Base-Base interactions energy: -1484.878 where: short stacking energy: -632.495 Base-Backbone interact. energy: -3.272 local terms energy: -642.744779 where: bonds (distance) C4'-P energy: -114.439 bonds (distance) P-C4' energy: -136.421 flat angles C4'-P-C4' energy: -129.450 flat angles P-C4'-P energy: -93.246 tors. eta vs tors. theta energy: -169.189 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: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2015.962294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.962294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.962294 (E_RNA) where: Base-Base interactions energy: -1433.475 where: short stacking energy: -590.606 Base-Backbone interact. energy: -0.072 local terms energy: -582.415185 where: bonds (distance) C4'-P energy: -92.785 bonds (distance) P-C4' energy: -113.313 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -98.219 tors. eta vs tors. theta energy: -153.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1960.660812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.660812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.660812 (E_RNA) where: Base-Base interactions energy: -1395.781 where: short stacking energy: -576.602 Base-Backbone interact. energy: -5.779 local terms energy: -559.101128 where: bonds (distance) C4'-P energy: -99.430 bonds (distance) P-C4' energy: -104.167 flat angles C4'-P-C4' energy: -133.293 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -150.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1777.172780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.172780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.172780 (E_RNA) where: Base-Base interactions energy: -1217.967 where: short stacking energy: -517.968 Base-Backbone interact. energy: -1.041 local terms energy: -558.164909 where: bonds (distance) C4'-P energy: -110.478 bonds (distance) P-C4' energy: -99.922 flat angles C4'-P-C4' energy: -111.123 flat angles P-C4'-P energy: -91.102 tors. eta vs tors. theta energy: -145.540 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: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1519.675113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.675113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.675113 (E_RNA) where: Base-Base interactions energy: -1003.029 where: short stacking energy: -458.049 Base-Backbone interact. energy: -2.593 local terms energy: -514.053417 where: bonds (distance) C4'-P energy: -101.653 bonds (distance) P-C4' energy: -109.545 flat angles C4'-P-C4' energy: -122.324 flat angles P-C4'-P energy: -83.257 tors. eta vs tors. theta energy: -97.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1116.703291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.703291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.703291 (E_RNA) where: Base-Base interactions energy: -688.135 where: short stacking energy: -310.893 Base-Backbone interact. energy: 1.301 local terms energy: -429.869509 where: bonds (distance) C4'-P energy: -103.922 bonds (distance) P-C4' energy: -114.720 flat angles C4'-P-C4' energy: -120.056 flat angles P-C4'-P energy: -59.217 tors. eta vs tors. theta energy: -31.955 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: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -940.286569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.286569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.286569 (E_RNA) where: Base-Base interactions energy: -543.169 where: short stacking energy: -275.404 Base-Backbone interact. energy: 0.039 local terms energy: -397.157054 where: bonds (distance) C4'-P energy: -108.151 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -88.346 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: -28.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2439.312143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.312143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.312143 (E_RNA) where: Base-Base interactions energy: -1711.236 where: short stacking energy: -722.933 Base-Backbone interact. energy: -0.319 local terms energy: -727.756966 where: bonds (distance) C4'-P energy: -127.059 bonds (distance) P-C4' energy: -136.059 flat angles C4'-P-C4' energy: -153.458 flat angles P-C4'-P energy: -106.879 tors. eta vs tors. theta energy: -204.301 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: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2394.600901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.600901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.600901 (E_RNA) where: Base-Base interactions energy: -1723.859 where: short stacking energy: -713.935 Base-Backbone interact. energy: -2.771 local terms energy: -667.971376 where: bonds (distance) C4'-P energy: -112.555 bonds (distance) P-C4' energy: -126.047 flat angles C4'-P-C4' energy: -150.395 flat angles P-C4'-P energy: -92.011 tors. eta vs tors. theta energy: -186.962 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2254.126948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.126948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.126948 (E_RNA) where: Base-Base interactions energy: -1562.175 where: short stacking energy: -657.465 Base-Backbone interact. energy: -0.199 local terms energy: -691.753264 where: bonds (distance) C4'-P energy: -132.759 bonds (distance) P-C4' energy: -127.007 flat angles C4'-P-C4' energy: -142.271 flat angles P-C4'-P energy: -104.517 tors. eta vs tors. theta energy: -185.198 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: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2117.034123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.034123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.034123 (E_RNA) where: Base-Base interactions energy: -1496.942 where: short stacking energy: -629.380 Base-Backbone interact. energy: -4.417 local terms energy: -615.674908 where: bonds (distance) C4'-P energy: -119.137 bonds (distance) P-C4' energy: -110.981 flat angles C4'-P-C4' energy: -132.437 flat angles P-C4'-P energy: -90.528 tors. eta vs tors. theta energy: -162.592 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: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2044.615521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.615521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.615521 (E_RNA) where: Base-Base interactions energy: -1417.761 where: short stacking energy: -592.226 Base-Backbone interact. energy: 1.298 local terms energy: -628.152735 where: bonds (distance) C4'-P energy: -114.220 bonds (distance) P-C4' energy: -118.787 flat angles C4'-P-C4' energy: -139.172 flat angles P-C4'-P energy: -105.960 tors. eta vs tors. theta energy: -150.013 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: 6, replica: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1943.161285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.161285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.161285 (E_RNA) where: Base-Base interactions energy: -1359.262 where: short stacking energy: -551.177 Base-Backbone interact. energy: -1.116 local terms energy: -582.783640 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -117.671 flat angles C4'-P-C4' energy: -129.449 flat angles P-C4'-P energy: -75.022 tors. eta vs tors. theta energy: -154.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1738.421567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.421567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.421567 (E_RNA) where: Base-Base interactions energy: -1180.431 where: short stacking energy: -490.304 Base-Backbone interact. energy: -0.283 local terms energy: -557.707398 where: bonds (distance) C4'-P energy: -120.058 bonds (distance) P-C4' energy: -112.780 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -77.846 tors. eta vs tors. theta energy: -136.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1493.689566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.689566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.689566 (E_RNA) where: Base-Base interactions energy: -1012.496 where: short stacking energy: -470.950 Base-Backbone interact. energy: -1.333 local terms energy: -479.860710 where: bonds (distance) C4'-P energy: -111.868 bonds (distance) P-C4' energy: -90.078 flat angles C4'-P-C4' energy: -113.212 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -92.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1181.364278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.364278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.364278 (E_RNA) where: Base-Base interactions energy: -761.694 where: short stacking energy: -333.383 Base-Backbone interact. energy: 1.340 local terms energy: -421.010480 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -89.385 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -33.363 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: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -816.233571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.233571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.233571 (E_RNA) where: Base-Base interactions energy: -479.515 where: short stacking energy: -243.697 Base-Backbone interact. energy: 0.283 local terms energy: -337.000905 where: bonds (distance) C4'-P energy: -96.530 bonds (distance) P-C4' energy: -111.477 flat angles C4'-P-C4' energy: -74.125 flat angles P-C4'-P energy: -41.755 tors. eta vs tors. theta energy: -13.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2428.666317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.666317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.666317 (E_RNA) where: Base-Base interactions energy: -1715.952 where: short stacking energy: -718.836 Base-Backbone interact. energy: -2.211 local terms energy: -710.503262 where: bonds (distance) C4'-P energy: -123.408 bonds (distance) P-C4' energy: -134.028 flat angles C4'-P-C4' energy: -151.611 flat angles P-C4'-P energy: -105.563 tors. eta vs tors. theta energy: -195.893 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: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2382.565351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.565351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.565351 (E_RNA) where: Base-Base interactions energy: -1689.360 where: short stacking energy: -692.712 Base-Backbone interact. energy: -5.299 local terms energy: -687.906024 where: bonds (distance) C4'-P energy: -120.891 bonds (distance) P-C4' energy: -127.582 flat angles C4'-P-C4' energy: -149.037 flat angles P-C4'-P energy: -98.535 tors. eta vs tors. theta energy: -191.861 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2246.631455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.631455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.631455 (E_RNA) where: Base-Base interactions energy: -1566.862 where: short stacking energy: -625.978 Base-Backbone interact. energy: -7.641 local terms energy: -672.128325 where: bonds (distance) C4'-P energy: -128.867 bonds (distance) P-C4' energy: -130.983 flat angles C4'-P-C4' energy: -148.183 flat angles P-C4'-P energy: -95.418 tors. eta vs tors. theta energy: -168.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2137.069157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.069157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.069157 (E_RNA) where: Base-Base interactions energy: -1526.600 where: short stacking energy: -609.942 Base-Backbone interact. energy: 4.916 local terms energy: -615.385285 where: bonds (distance) C4'-P energy: -114.592 bonds (distance) P-C4' energy: -110.200 flat angles C4'-P-C4' energy: -126.445 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -171.061 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: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2056.364588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.364588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.364588 (E_RNA) where: Base-Base interactions energy: -1449.354 where: short stacking energy: -634.049 Base-Backbone interact. energy: -2.275 local terms energy: -604.736259 where: bonds (distance) C4'-P energy: -121.472 bonds (distance) P-C4' energy: -112.854 flat angles C4'-P-C4' energy: -123.021 flat angles P-C4'-P energy: -87.285 tors. eta vs tors. theta energy: -160.106 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: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1984.519917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.519917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.519917 (E_RNA) where: Base-Base interactions energy: -1365.337 where: short stacking energy: -568.197 Base-Backbone interact. energy: -5.031 local terms energy: -614.152086 where: bonds (distance) C4'-P energy: -117.456 bonds (distance) P-C4' energy: -124.873 flat angles C4'-P-C4' energy: -137.901 flat angles P-C4'-P energy: -77.556 tors. eta vs tors. theta energy: -156.366 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: 404 Temperature: 1.200000 Total energy: -1657.329556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.329556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.329556 (E_RNA) where: Base-Base interactions energy: -1108.946 where: short stacking energy: -514.449 Base-Backbone interact. energy: -3.153 local terms energy: -545.231158 where: bonds (distance) C4'-P energy: -99.735 bonds (distance) P-C4' energy: -114.908 flat angles C4'-P-C4' energy: -117.161 flat angles P-C4'-P energy: -70.831 tors. eta vs tors. theta energy: -142.595 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: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1535.923126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.923126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.923126 (E_RNA) where: Base-Base interactions energy: -1057.101 where: short stacking energy: -474.167 Base-Backbone interact. energy: 0.864 local terms energy: -479.685753 where: bonds (distance) C4'-P energy: -90.962 bonds (distance) P-C4' energy: -102.030 flat angles C4'-P-C4' energy: -121.345 flat angles P-C4'-P energy: -75.725 tors. eta vs tors. theta energy: -89.624 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: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1250.337730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.337730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.337730 (E_RNA) where: Base-Base interactions energy: -840.994 where: short stacking energy: -364.677 Base-Backbone interact. energy: -0.893 local terms energy: -408.450736 where: bonds (distance) C4'-P energy: -94.932 bonds (distance) P-C4' energy: -99.643 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -62.429 tors. eta vs tors. theta energy: -56.438 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: 10, replica: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -779.238923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.238923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.238923 (E_RNA) where: Base-Base interactions energy: -433.763 where: short stacking energy: -242.360 Base-Backbone interact. energy: -0.187 local terms energy: -345.288417 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -87.455 flat angles C4'-P-C4' energy: -92.256 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2422.388674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.388674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.388674 (E_RNA) where: Base-Base interactions energy: -1709.375 where: short stacking energy: -713.999 Base-Backbone interact. energy: -2.024 local terms energy: -710.990399 where: bonds (distance) C4'-P energy: -127.386 bonds (distance) P-C4' energy: -131.400 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -103.624 tors. eta vs tors. theta energy: -198.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2425.423703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.423703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.423703 (E_RNA) where: Base-Base interactions energy: -1737.128 where: short stacking energy: -722.467 Base-Backbone interact. energy: -3.238 local terms energy: -685.057845 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -144.426 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -180.737 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: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2244.190529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.190529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.190529 (E_RNA) where: Base-Base interactions energy: -1571.332 where: short stacking energy: -641.888 Base-Backbone interact. energy: 0.341 local terms energy: -673.199797 where: bonds (distance) C4'-P energy: -132.513 bonds (distance) P-C4' energy: -111.499 flat angles C4'-P-C4' energy: -149.710 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -184.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2171.357841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.357841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.357841 (E_RNA) where: Base-Base interactions energy: -1539.686 where: short stacking energy: -626.729 Base-Backbone interact. energy: -0.544 local terms energy: -631.128392 where: bonds (distance) C4'-P energy: -122.011 bonds (distance) P-C4' energy: -115.114 flat angles C4'-P-C4' energy: -146.352 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -160.424 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: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1995.352437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.352437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.352437 (E_RNA) where: Base-Base interactions energy: -1400.988 where: short stacking energy: -586.437 Base-Backbone interact. energy: -1.356 local terms energy: -593.008682 where: bonds (distance) C4'-P energy: -108.335 bonds (distance) P-C4' energy: -122.427 flat angles C4'-P-C4' energy: -138.364 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -145.137 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: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1939.933112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.933112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.933112 (E_RNA) where: Base-Base interactions energy: -1345.133 where: short stacking energy: -575.997 Base-Backbone interact. energy: -3.298 local terms energy: -591.502345 where: bonds (distance) C4'-P energy: -111.680 bonds (distance) P-C4' energy: -112.451 flat angles C4'-P-C4' energy: -130.693 flat angles P-C4'-P energy: -83.181 tors. eta vs tors. theta energy: -153.498 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: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1720.307678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.307678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.307678 (E_RNA) where: Base-Base interactions energy: -1175.682 where: short stacking energy: -505.115 Base-Backbone interact. energy: 0.754 local terms energy: -545.379832 where: bonds (distance) C4'-P energy: -106.364 bonds (distance) P-C4' energy: -129.187 flat angles C4'-P-C4' energy: -105.976 flat angles P-C4'-P energy: -77.091 tors. eta vs tors. theta energy: -126.762 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: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1548.214084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.214084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.214084 (E_RNA) where: Base-Base interactions energy: -1036.792 where: short stacking energy: -425.388 Base-Backbone interact. energy: -3.100 local terms energy: -508.321985 where: bonds (distance) C4'-P energy: -92.757 bonds (distance) P-C4' energy: -130.354 flat angles C4'-P-C4' energy: -121.634 flat angles P-C4'-P energy: -73.583 tors. eta vs tors. theta energy: -89.993 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: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1267.475911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.475911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.475911 (E_RNA) where: Base-Base interactions energy: -816.962 where: short stacking energy: -369.409 Base-Backbone interact. energy: 0.396 local terms energy: -450.909760 where: bonds (distance) C4'-P energy: -96.764 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -108.192 flat angles P-C4'-P energy: -65.476 tors. eta vs tors. theta energy: -49.823 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: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -741.584341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.584341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.584341 (E_RNA) where: Base-Base interactions energy: -372.631 where: short stacking energy: -214.023 Base-Backbone interact. energy: 2.389 local terms energy: -371.342523 where: bonds (distance) C4'-P energy: -97.671 bonds (distance) P-C4' energy: -96.638 flat angles C4'-P-C4' energy: -99.268 flat angles P-C4'-P energy: -66.492 tors. eta vs tors. theta energy: -11.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2401.049565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.049565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.049565 (E_RNA) where: Base-Base interactions energy: -1715.603 where: short stacking energy: -690.406 Base-Backbone interact. energy: -4.223 local terms energy: -681.223660 where: bonds (distance) C4'-P energy: -116.699 bonds (distance) P-C4' energy: -118.688 flat angles C4'-P-C4' energy: -154.488 flat angles P-C4'-P energy: -97.289 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: 406 Temperature: 0.950000 Total energy: -2367.774241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.774241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.774241 (E_RNA) where: Base-Base interactions energy: -1681.740 where: short stacking energy: -686.909 Base-Backbone interact. energy: 0.649 local terms energy: -686.683527 where: bonds (distance) C4'-P energy: -122.318 bonds (distance) P-C4' energy: -128.401 flat angles C4'-P-C4' energy: -140.701 flat angles P-C4'-P energy: -102.317 tors. eta vs tors. theta energy: -192.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2252.401204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.401204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.401204 (E_RNA) where: Base-Base interactions energy: -1567.537 where: short stacking energy: -642.616 Base-Backbone interact. energy: -3.504 local terms energy: -681.360315 where: bonds (distance) C4'-P energy: -125.002 bonds (distance) P-C4' energy: -127.725 flat angles C4'-P-C4' energy: -139.522 flat angles P-C4'-P energy: -103.325 tors. eta vs tors. theta energy: -185.786 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: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2149.486955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.486955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.486955 (E_RNA) where: Base-Base interactions energy: -1514.911 where: short stacking energy: -608.357 Base-Backbone interact. energy: -4.151 local terms energy: -630.424461 where: bonds (distance) C4'-P energy: -121.393 bonds (distance) P-C4' energy: -117.420 flat angles C4'-P-C4' energy: -140.073 flat angles P-C4'-P energy: -84.333 tors. eta vs tors. theta energy: -167.205 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: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2010.355338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.355338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.355338 (E_RNA) where: Base-Base interactions energy: -1414.682 where: short stacking energy: -604.495 Base-Backbone interact. energy: 1.133 local terms energy: -596.806530 where: bonds (distance) C4'-P energy: -112.929 bonds (distance) P-C4' energy: -111.879 flat angles C4'-P-C4' energy: -131.851 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -154.227 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: 406 Temperature: 1.150000 Total energy: -1966.248842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.248842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.248842 (E_RNA) where: Base-Base interactions energy: -1373.552 where: short stacking energy: -567.011 Base-Backbone interact. energy: -2.204 local terms energy: -590.492856 where: bonds (distance) C4'-P energy: -96.070 bonds (distance) P-C4' energy: -126.760 flat angles C4'-P-C4' energy: -122.299 flat angles P-C4'-P energy: -89.223 tors. eta vs tors. theta energy: -156.141 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: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1725.639313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.639313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.639313 (E_RNA) where: Base-Base interactions energy: -1175.627 where: short stacking energy: -532.271 Base-Backbone interact. energy: -0.322 local terms energy: -549.690723 where: bonds (distance) C4'-P energy: -113.622 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -110.945 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -139.794 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: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1517.886553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.886553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.886553 (E_RNA) where: Base-Base interactions energy: -1008.703 where: short stacking energy: -439.444 Base-Backbone interact. energy: 4.989 local terms energy: -514.172978 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -120.189 flat angles C4'-P-C4' energy: -130.016 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -94.584 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: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1208.831659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.831659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.831659 (E_RNA) where: Base-Base interactions energy: -777.063 where: short stacking energy: -363.540 Base-Backbone interact. energy: 0.554 local terms energy: -432.323435 where: bonds (distance) C4'-P energy: -111.314 bonds (distance) P-C4' energy: -95.511 flat angles C4'-P-C4' energy: -109.694 flat angles P-C4'-P energy: -58.946 tors. eta vs tors. theta energy: -56.858 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: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -748.486617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.486617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.486617 (E_RNA) where: Base-Base interactions energy: -372.425 where: short stacking energy: -221.807 Base-Backbone interact. energy: 2.555 local terms energy: -378.616437 where: bonds (distance) C4'-P energy: -103.196 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -96.741 flat angles P-C4'-P energy: -66.485 tors. eta vs tors. theta energy: -11.107 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: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2397.028447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.028447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.028447 (E_RNA) where: Base-Base interactions energy: -1699.259 where: short stacking energy: -709.010 Base-Backbone interact. energy: -2.497 local terms energy: -695.272316 where: bonds (distance) C4'-P energy: -112.685 bonds (distance) P-C4' energy: -133.178 flat angles C4'-P-C4' energy: -149.734 flat angles P-C4'-P energy: -104.017 tors. eta vs tors. theta energy: -195.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2381.318740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.318740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.318740 (E_RNA) where: Base-Base interactions energy: -1683.958 where: short stacking energy: -701.068 Base-Backbone interact. energy: -0.241 local terms energy: -697.120016 where: bonds (distance) C4'-P energy: -109.199 bonds (distance) P-C4' energy: -132.848 flat angles C4'-P-C4' energy: -149.212 flat angles P-C4'-P energy: -106.674 tors. eta vs tors. theta energy: -199.186 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: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2301.274645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.274645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.274645 (E_RNA) where: Base-Base interactions energy: -1594.056 where: short stacking energy: -668.488 Base-Backbone interact. energy: 3.482 local terms energy: -710.700552 where: bonds (distance) C4'-P energy: -124.034 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -152.161 flat angles P-C4'-P energy: -99.531 tors. eta vs tors. theta energy: -195.139 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: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2159.393011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.393011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.393011 (E_RNA) where: Base-Base interactions energy: -1510.006 where: short stacking energy: -637.253 Base-Backbone interact. energy: -3.526 local terms energy: -645.861086 where: bonds (distance) C4'-P energy: -120.500 bonds (distance) P-C4' energy: -126.473 flat angles C4'-P-C4' energy: -145.807 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -167.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1983.545629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.545629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.545629 (E_RNA) where: Base-Base interactions energy: -1365.708 where: short stacking energy: -559.020 Base-Backbone interact. energy: -2.747 local terms energy: -615.091219 where: bonds (distance) C4'-P energy: -114.582 bonds (distance) P-C4' energy: -127.138 flat angles C4'-P-C4' energy: -131.300 flat angles P-C4'-P energy: -90.185 tors. eta vs tors. theta energy: -151.887 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: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1969.585097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.585097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.585097 (E_RNA) where: Base-Base interactions energy: -1357.722 where: short stacking energy: -548.606 Base-Backbone interact. energy: -3.303 local terms energy: -608.559828 where: bonds (distance) C4'-P energy: -109.466 bonds (distance) P-C4' energy: -120.406 flat angles C4'-P-C4' energy: -139.493 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -151.812 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: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1700.219042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.219042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.219042 (E_RNA) where: Base-Base interactions energy: -1155.131 where: short stacking energy: -509.473 Base-Backbone interact. energy: -2.815 local terms energy: -542.273897 where: bonds (distance) C4'-P energy: -111.387 bonds (distance) P-C4' energy: -121.081 flat angles C4'-P-C4' energy: -109.743 flat angles P-C4'-P energy: -81.183 tors. eta vs tors. theta energy: -118.879 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: 8, replica: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1513.240628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.240628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.240628 (E_RNA) where: Base-Base interactions energy: -1011.499 where: short stacking energy: -435.287 Base-Backbone interact. energy: -0.078 local terms energy: -501.663672 where: bonds (distance) C4'-P energy: -101.874 bonds (distance) P-C4' energy: -110.810 flat angles C4'-P-C4' energy: -106.595 flat angles P-C4'-P energy: -96.082 tors. eta vs tors. theta energy: -86.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1153.788945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.788945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.788945 (E_RNA) where: Base-Base interactions energy: -710.417 where: short stacking energy: -331.293 Base-Backbone interact. energy: -0.782 local terms energy: -442.590038 where: bonds (distance) C4'-P energy: -96.284 bonds (distance) P-C4' energy: -111.683 flat angles C4'-P-C4' energy: -91.536 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -70.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -785.377300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.377300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.377300 (E_RNA) where: Base-Base interactions energy: -384.032 where: short stacking energy: -218.195 Base-Backbone interact. energy: -2.763 local terms energy: -398.581827 where: bonds (distance) C4'-P energy: -107.533 bonds (distance) P-C4' energy: -114.990 flat angles C4'-P-C4' energy: -98.347 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: -20.987 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: 5 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2406.423972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.423972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.423972 (E_RNA) where: Base-Base interactions energy: -1673.915 where: short stacking energy: -690.244 Base-Backbone interact. energy: -2.396 local terms energy: -730.113219 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -150.409 flat angles C4'-P-C4' energy: -158.636 flat angles P-C4'-P energy: -96.388 tors. eta vs tors. theta energy: -189.466 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: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2329.199919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.199919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.199919 (E_RNA) where: Base-Base interactions energy: -1626.669 where: short stacking energy: -672.575 Base-Backbone interact. energy: -2.006 local terms energy: -700.524376 where: bonds (distance) C4'-P energy: -128.647 bonds (distance) P-C4' energy: -128.155 flat angles C4'-P-C4' energy: -148.373 flat angles P-C4'-P energy: -107.487 tors. eta vs tors. theta energy: -187.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2271.335957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.335957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.335957 (E_RNA) where: Base-Base interactions energy: -1580.007 where: short stacking energy: -677.634 Base-Backbone interact. energy: -0.344 local terms energy: -690.985271 where: bonds (distance) C4'-P energy: -123.578 bonds (distance) P-C4' energy: -147.994 flat angles C4'-P-C4' energy: -137.529 flat angles P-C4'-P energy: -93.053 tors. eta vs tors. theta energy: -188.831 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: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2100.591790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.591790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.591790 (E_RNA) where: Base-Base interactions energy: -1500.997 where: short stacking energy: -618.666 Base-Backbone interact. energy: 1.657 local terms energy: -601.251287 where: bonds (distance) C4'-P energy: -114.206 bonds (distance) P-C4' energy: -103.265 flat angles C4'-P-C4' energy: -138.191 flat angles P-C4'-P energy: -95.653 tors. eta vs tors. theta energy: -149.937 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: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1967.571320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.571320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.571320 (E_RNA) where: Base-Base interactions energy: -1380.831 where: short stacking energy: -554.594 Base-Backbone interact. energy: -5.158 local terms energy: -581.582382 where: bonds (distance) C4'-P energy: -106.985 bonds (distance) P-C4' energy: -128.832 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -83.146 tors. eta vs tors. theta energy: -137.437 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: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1990.736486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.736486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.736486 (E_RNA) where: Base-Base interactions energy: -1381.468 where: short stacking energy: -578.118 Base-Backbone interact. energy: -0.587 local terms energy: -608.681662 where: bonds (distance) C4'-P energy: -115.012 bonds (distance) P-C4' energy: -128.848 flat angles C4'-P-C4' energy: -134.622 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -160.205 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: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1750.900731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.900731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.900731 (E_RNA) where: Base-Base interactions energy: -1209.734 where: short stacking energy: -541.487 Base-Backbone interact. energy: -1.915 local terms energy: -539.252359 where: bonds (distance) C4'-P energy: -105.597 bonds (distance) P-C4' energy: -114.387 flat angles C4'-P-C4' energy: -114.122 flat angles P-C4'-P energy: -71.980 tors. eta vs tors. theta energy: -133.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1573.971066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.971066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.971066 (E_RNA) where: Base-Base interactions energy: -1070.802 where: short stacking energy: -451.033 Base-Backbone interact. energy: -2.364 local terms energy: -500.804533 where: bonds (distance) C4'-P energy: -74.683 bonds (distance) P-C4' energy: -116.328 flat angles C4'-P-C4' energy: -120.963 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -108.189 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: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1184.558873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.558873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.558873 (E_RNA) where: Base-Base interactions energy: -759.128 where: short stacking energy: -369.039 Base-Backbone interact. energy: 0.141 local terms energy: -425.571519 where: bonds (distance) C4'-P energy: -97.808 bonds (distance) P-C4' energy: -122.527 flat angles C4'-P-C4' energy: -95.199 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -62.426 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: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -738.613473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.613473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.613473 (E_RNA) where: Base-Base interactions energy: -414.928 where: short stacking energy: -241.863 Base-Backbone interact. energy: 0.178 local terms energy: -323.863466 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -95.347 flat angles C4'-P-C4' energy: -88.190 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2414.257635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.257635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.257635 (E_RNA) where: Base-Base interactions energy: -1695.536 where: short stacking energy: -685.464 Base-Backbone interact. energy: -2.214 local terms energy: -716.507010 where: bonds (distance) C4'-P energy: -126.657 bonds (distance) P-C4' energy: -130.830 flat angles C4'-P-C4' energy: -150.915 flat angles P-C4'-P energy: -115.798 tors. eta vs tors. theta energy: -192.308 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: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2349.189725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.189725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.189725 (E_RNA) where: Base-Base interactions energy: -1653.145 where: short stacking energy: -677.743 Base-Backbone interact. energy: -2.921 local terms energy: -693.124145 where: bonds (distance) C4'-P energy: -122.844 bonds (distance) P-C4' energy: -141.074 flat angles C4'-P-C4' energy: -143.283 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -186.637 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: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2257.072017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.072017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.072017 (E_RNA) where: Base-Base interactions energy: -1565.906 where: short stacking energy: -656.638 Base-Backbone interact. energy: -2.567 local terms energy: -688.599255 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -133.808 flat angles C4'-P-C4' energy: -143.615 flat angles P-C4'-P energy: -104.182 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: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2121.535852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.535852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.535852 (E_RNA) where: Base-Base interactions energy: -1493.375 where: short stacking energy: -608.426 Base-Backbone interact. energy: 0.066 local terms energy: -628.226813 where: bonds (distance) C4'-P energy: -113.825 bonds (distance) P-C4' energy: -121.226 flat angles C4'-P-C4' energy: -144.837 flat angles P-C4'-P energy: -93.693 tors. eta vs tors. theta energy: -154.646 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: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1943.215538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.215538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.215538 (E_RNA) where: Base-Base interactions energy: -1350.110 where: short stacking energy: -565.199 Base-Backbone interact. energy: -3.638 local terms energy: -589.468201 where: bonds (distance) C4'-P energy: -117.719 bonds (distance) P-C4' energy: -120.843 flat angles C4'-P-C4' energy: -143.966 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -134.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1993.128528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.128528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.128528 (E_RNA) where: Base-Base interactions energy: -1378.979 where: short stacking energy: -592.605 Base-Backbone interact. energy: -3.229 local terms energy: -610.920932 where: bonds (distance) C4'-P energy: -122.545 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -136.132 flat angles P-C4'-P energy: -85.008 tors. eta vs tors. theta energy: -156.643 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: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1740.051650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.051650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.051650 (E_RNA) where: Base-Base interactions energy: -1200.098 where: short stacking energy: -526.502 Base-Backbone interact. energy: -1.842 local terms energy: -538.111436 where: bonds (distance) C4'-P energy: -114.717 bonds (distance) P-C4' energy: -100.876 flat angles C4'-P-C4' energy: -123.776 flat angles P-C4'-P energy: -68.064 tors. eta vs tors. theta energy: -130.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1588.235388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.235388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.235388 (E_RNA) where: Base-Base interactions energy: -1053.666 where: short stacking energy: -470.941 Base-Backbone interact. energy: 2.479 local terms energy: -537.048107 where: bonds (distance) C4'-P energy: -120.424 bonds (distance) P-C4' energy: -99.347 flat angles C4'-P-C4' energy: -116.994 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -129.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1189.638572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.638572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.638572 (E_RNA) where: Base-Base interactions energy: -738.782 where: short stacking energy: -333.409 Base-Backbone interact. energy: -2.167 local terms energy: -448.689243 where: bonds (distance) C4'-P energy: -99.386 bonds (distance) P-C4' energy: -94.093 flat angles C4'-P-C4' energy: -130.117 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -74.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -735.407285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.407285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.407285 (E_RNA) where: Base-Base interactions energy: -354.799 where: short stacking energy: -221.234 Base-Backbone interact. energy: 1.108 local terms energy: -381.716060 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -96.936 flat angles C4'-P-C4' energy: -112.124 flat angles P-C4'-P energy: -40.247 tors. eta vs tors. theta energy: -11.514 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: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2426.928671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.928671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.928671 (E_RNA) where: Base-Base interactions energy: -1694.975 where: short stacking energy: -714.354 Base-Backbone interact. energy: -2.485 local terms energy: -729.468547 where: bonds (distance) C4'-P energy: -142.397 bonds (distance) P-C4' energy: -137.386 flat angles C4'-P-C4' energy: -148.881 flat angles P-C4'-P energy: -101.869 tors. eta vs tors. theta energy: -198.937 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: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2331.104130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.104130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.104130 (E_RNA) where: Base-Base interactions energy: -1632.168 where: short stacking energy: -681.540 Base-Backbone interact. energy: -3.070 local terms energy: -695.865901 where: bonds (distance) C4'-P energy: -117.488 bonds (distance) P-C4' energy: -147.309 flat angles C4'-P-C4' energy: -152.802 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: -185.637 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: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2252.117081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.117081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.117081 (E_RNA) where: Base-Base interactions energy: -1577.764 where: short stacking energy: -653.873 Base-Backbone interact. energy: -5.538 local terms energy: -668.814369 where: bonds (distance) C4'-P energy: -124.497 bonds (distance) P-C4' energy: -125.909 flat angles C4'-P-C4' energy: -138.009 flat angles P-C4'-P energy: -92.497 tors. eta vs tors. theta energy: -187.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2127.266964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.266964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.266964 (E_RNA) where: Base-Base interactions energy: -1507.613 where: short stacking energy: -618.552 Base-Backbone interact. energy: -0.003 local terms energy: -619.650133 where: bonds (distance) C4'-P energy: -115.766 bonds (distance) P-C4' energy: -126.394 flat angles C4'-P-C4' energy: -144.682 flat angles P-C4'-P energy: -73.398 tors. eta vs tors. theta energy: -159.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2003.455665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.455665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.455665 (E_RNA) where: Base-Base interactions energy: -1396.033 where: short stacking energy: -567.265 Base-Backbone interact. energy: -0.212 local terms energy: -607.211170 where: bonds (distance) C4'-P energy: -121.617 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -91.813 tors. eta vs tors. theta energy: -140.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1935.312454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.312454 (E_RNA) where: Base-Base interactions energy: -1353.321 where: short stacking energy: -562.856 Base-Backbone interact. energy: 0.801 local terms energy: -582.792644 where: bonds (distance) C4'-P energy: -114.065 bonds (distance) P-C4' energy: -106.482 flat angles C4'-P-C4' energy: -125.412 flat angles P-C4'-P energy: -86.282 tors. eta vs tors. theta energy: -150.552 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: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1782.791863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.791863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.791863 (E_RNA) where: Base-Base interactions energy: -1181.095 where: short stacking energy: -529.109 Base-Backbone interact. energy: -0.680 local terms energy: -601.016349 where: bonds (distance) C4'-P energy: -113.715 bonds (distance) P-C4' energy: -120.510 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -91.753 tors. eta vs tors. theta energy: -139.642 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: 8, replica: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1560.830612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.830612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.830612 (E_RNA) where: Base-Base interactions energy: -1031.683 where: short stacking energy: -436.234 Base-Backbone interact. energy: -1.964 local terms energy: -527.183626 where: bonds (distance) C4'-P energy: -104.087 bonds (distance) P-C4' energy: -123.516 flat angles C4'-P-C4' energy: -129.088 flat angles P-C4'-P energy: -72.635 tors. eta vs tors. theta energy: -97.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1160.595463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.595463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.595463 (E_RNA) where: Base-Base interactions energy: -716.643 where: short stacking energy: -338.115 Base-Backbone interact. energy: 2.040 local terms energy: -445.992206 where: bonds (distance) C4'-P energy: -103.454 bonds (distance) P-C4' energy: -123.420 flat angles C4'-P-C4' energy: -93.117 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: -59.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -659.301281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.301281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.301281 (E_RNA) where: Base-Base interactions energy: -326.295 where: short stacking energy: -157.507 Base-Backbone interact. energy: 1.476 local terms energy: -334.481415 where: bonds (distance) C4'-P energy: -106.100 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -100.205 flat angles P-C4'-P energy: -51.528 tors. eta vs tors. theta energy: 17.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2435.693004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.693004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.693004 (E_RNA) where: Base-Base interactions energy: -1725.384 where: short stacking energy: -707.187 Base-Backbone interact. energy: 0.162 local terms energy: -710.470961 where: bonds (distance) C4'-P energy: -127.223 bonds (distance) P-C4' energy: -120.544 flat angles C4'-P-C4' energy: -152.520 flat angles P-C4'-P energy: -107.434 tors. eta vs tors. theta energy: -202.749 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: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2330.347226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.347226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.347226 (E_RNA) where: Base-Base interactions energy: -1637.930 where: short stacking energy: -675.848 Base-Backbone interact. energy: -2.913 local terms energy: -689.504454 where: bonds (distance) C4'-P energy: -125.433 bonds (distance) P-C4' energy: -139.673 flat angles C4'-P-C4' energy: -136.131 flat angles P-C4'-P energy: -103.274 tors. eta vs tors. theta energy: -184.993 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: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2213.977598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.977598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.977598 (E_RNA) where: Base-Base interactions energy: -1553.857 where: short stacking energy: -642.665 Base-Backbone interact. energy: -3.542 local terms energy: -656.578579 where: bonds (distance) C4'-P energy: -111.784 bonds (distance) P-C4' energy: -121.935 flat angles C4'-P-C4' energy: -143.781 flat angles P-C4'-P energy: -101.518 tors. eta vs tors. theta energy: -177.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2089.669458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.669458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.669458 (E_RNA) where: Base-Base interactions energy: -1466.232 where: short stacking energy: -611.898 Base-Backbone interact. energy: -0.772 local terms energy: -622.665234 where: bonds (distance) C4'-P energy: -108.660 bonds (distance) P-C4' energy: -115.735 flat angles C4'-P-C4' energy: -142.192 flat angles P-C4'-P energy: -92.229 tors. eta vs tors. theta energy: -163.848 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: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1982.359105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.359105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.359105 (E_RNA) where: Base-Base interactions energy: -1398.777 where: short stacking energy: -615.965 Base-Backbone interact. energy: -2.854 local terms energy: -580.728482 where: bonds (distance) C4'-P energy: -93.751 bonds (distance) P-C4' energy: -96.290 flat angles C4'-P-C4' energy: -141.414 flat angles P-C4'-P energy: -97.008 tors. eta vs tors. theta energy: -152.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1958.576550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.576550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.576550 (E_RNA) where: Base-Base interactions energy: -1365.372 where: short stacking energy: -573.564 Base-Backbone interact. energy: 0.375 local terms energy: -593.579580 where: bonds (distance) C4'-P energy: -113.150 bonds (distance) P-C4' energy: -128.346 flat angles C4'-P-C4' energy: -139.535 flat angles P-C4'-P energy: -62.053 tors. eta vs tors. theta energy: -150.495 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: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1758.185668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.185668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.185668 (E_RNA) where: Base-Base interactions energy: -1209.781 where: short stacking energy: -557.229 Base-Backbone interact. energy: 1.383 local terms energy: -549.787689 where: bonds (distance) C4'-P energy: -91.704 bonds (distance) P-C4' energy: -118.188 flat angles C4'-P-C4' energy: -124.346 flat angles P-C4'-P energy: -75.179 tors. eta vs tors. theta energy: -140.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1505.589455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.589455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.589455 (E_RNA) where: Base-Base interactions energy: -998.365 where: short stacking energy: -446.556 Base-Backbone interact. energy: -1.804 local terms energy: -505.420208 where: bonds (distance) C4'-P energy: -111.725 bonds (distance) P-C4' energy: -105.496 flat angles C4'-P-C4' energy: -107.584 flat angles P-C4'-P energy: -75.243 tors. eta vs tors. theta energy: -105.373 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: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1138.031947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.031947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.031947 (E_RNA) where: Base-Base interactions energy: -722.978 where: short stacking energy: -341.793 Base-Backbone interact. energy: -0.268 local terms energy: -414.785895 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -98.563 flat angles C4'-P-C4' energy: -101.543 flat angles P-C4'-P energy: -58.881 tors. eta vs tors. theta energy: -48.356 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: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -694.188222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.188222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.188222 (E_RNA) where: Base-Base interactions energy: -307.297 where: short stacking energy: -168.518 Base-Backbone interact. energy: 1.460 local terms energy: -388.351021 where: bonds (distance) C4'-P energy: -118.747 bonds (distance) P-C4' energy: -107.529 flat angles C4'-P-C4' energy: -93.969 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -9.894 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: 1, replica: 5 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2423.217958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.217958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.217958 (E_RNA) where: Base-Base interactions energy: -1723.282 where: short stacking energy: -723.579 Base-Backbone interact. energy: 3.338 local terms energy: -703.273773 where: bonds (distance) C4'-P energy: -122.726 bonds (distance) P-C4' energy: -129.400 flat angles C4'-P-C4' energy: -144.975 flat angles P-C4'-P energy: -105.385 tors. eta vs tors. theta energy: -200.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2301.614887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.614887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.614887 (E_RNA) where: Base-Base interactions energy: -1609.929 where: short stacking energy: -688.855 Base-Backbone interact. energy: -0.989 local terms energy: -690.696475 where: bonds (distance) C4'-P energy: -117.860 bonds (distance) P-C4' energy: -127.023 flat angles C4'-P-C4' energy: -150.205 flat angles P-C4'-P energy: -98.281 tors. eta vs tors. theta energy: -197.328 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: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2278.821716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.821716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.821716 (E_RNA) where: Base-Base interactions energy: -1597.544 where: short stacking energy: -673.972 Base-Backbone interact. energy: -0.435 local terms energy: -680.843027 where: bonds (distance) C4'-P energy: -124.641 bonds (distance) P-C4' energy: -136.653 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -183.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2093.748059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.748059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.748059 (E_RNA) where: Base-Base interactions energy: -1466.652 where: short stacking energy: -626.733 Base-Backbone interact. energy: -1.340 local terms energy: -625.755733 where: bonds (distance) C4'-P energy: -128.997 bonds (distance) P-C4' energy: -117.789 flat angles C4'-P-C4' energy: -126.727 flat angles P-C4'-P energy: -81.086 tors. eta vs tors. theta energy: -171.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2052.020957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.020957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.020957 (E_RNA) where: Base-Base interactions energy: -1439.339 where: short stacking energy: -576.316 Base-Backbone interact. energy: -0.127 local terms energy: -612.555602 where: bonds (distance) C4'-P energy: -115.785 bonds (distance) P-C4' energy: -110.046 flat angles C4'-P-C4' energy: -143.505 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -162.702 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: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1896.398557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.398557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.398557 (E_RNA) where: Base-Base interactions energy: -1309.308 where: short stacking energy: -551.238 Base-Backbone interact. energy: -3.419 local terms energy: -583.671615 where: bonds (distance) C4'-P energy: -103.812 bonds (distance) P-C4' energy: -109.263 flat angles C4'-P-C4' energy: -136.629 flat angles P-C4'-P energy: -102.182 tors. eta vs tors. theta energy: -131.786 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: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1687.191553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.191553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.191553 (E_RNA) where: Base-Base interactions energy: -1150.962 where: short stacking energy: -508.918 Base-Backbone interact. energy: -1.713 local terms energy: -534.517324 where: bonds (distance) C4'-P energy: -108.468 bonds (distance) P-C4' energy: -125.061 flat angles C4'-P-C4' energy: -102.163 flat angles P-C4'-P energy: -73.678 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: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1478.004033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.004033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.004033 (E_RNA) where: Base-Base interactions energy: -946.703 where: short stacking energy: -407.776 Base-Backbone interact. energy: -1.653 local terms energy: -529.647850 where: bonds (distance) C4'-P energy: -94.208 bonds (distance) P-C4' energy: -110.325 flat angles C4'-P-C4' energy: -123.496 flat angles P-C4'-P energy: -102.281 tors. eta vs tors. theta energy: -99.338 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: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1176.193974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.193974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.193974 (E_RNA) where: Base-Base interactions energy: -757.444 where: short stacking energy: -341.040 Base-Backbone interact. energy: 0.230 local terms energy: -418.979741 where: bonds (distance) C4'-P energy: -96.263 bonds (distance) P-C4' energy: -116.788 flat angles C4'-P-C4' energy: -104.783 flat angles P-C4'-P energy: -60.170 tors. eta vs tors. theta energy: -40.975 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: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -764.621988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.621988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.621988 (E_RNA) where: Base-Base interactions energy: -398.278 where: short stacking energy: -214.825 Base-Backbone interact. energy: -1.805 local terms energy: -364.538997 where: bonds (distance) C4'-P energy: -99.168 bonds (distance) P-C4' energy: -108.367 flat angles C4'-P-C4' energy: -95.777 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -14.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2402.251252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.251252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.251252 (E_RNA) where: Base-Base interactions energy: -1663.855 where: short stacking energy: -689.531 Base-Backbone interact. energy: -2.731 local terms energy: -735.664823 where: bonds (distance) C4'-P energy: -135.864 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -151.761 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -203.867 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: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2309.192863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.192863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.192863 (E_RNA) where: Base-Base interactions energy: -1629.531 where: short stacking energy: -710.453 Base-Backbone interact. energy: -1.979 local terms energy: -677.682766 where: bonds (distance) C4'-P energy: -127.852 bonds (distance) P-C4' energy: -119.240 flat angles C4'-P-C4' energy: -154.568 flat angles P-C4'-P energy: -89.135 tors. eta vs tors. theta energy: -186.888 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: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2268.097223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.097223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.097223 (E_RNA) where: Base-Base interactions energy: -1572.161 where: short stacking energy: -677.330 Base-Backbone interact. energy: -0.254 local terms energy: -695.681446 where: bonds (distance) C4'-P energy: -118.891 bonds (distance) P-C4' energy: -139.162 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -99.834 tors. eta vs tors. theta energy: -194.484 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: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2154.241583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.241583 (E_RNA) where: Base-Base interactions energy: -1521.420 where: short stacking energy: -641.030 Base-Backbone interact. energy: -3.372 local terms energy: -629.449889 where: bonds (distance) C4'-P energy: -111.063 bonds (distance) P-C4' energy: -121.573 flat angles C4'-P-C4' energy: -127.950 flat angles P-C4'-P energy: -92.493 tors. eta vs tors. theta energy: -176.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2087.598976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.598976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.598976 (E_RNA) where: Base-Base interactions energy: -1474.486 where: short stacking energy: -617.432 Base-Backbone interact. energy: -4.584 local terms energy: -608.529238 where: bonds (distance) C4'-P energy: -108.412 bonds (distance) P-C4' energy: -108.849 flat angles C4'-P-C4' energy: -136.363 flat angles P-C4'-P energy: -95.084 tors. eta vs tors. theta energy: -159.821 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: 6, replica: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1801.816258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.816258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.816258 (E_RNA) where: Base-Base interactions energy: -1210.471 where: short stacking energy: -525.117 Base-Backbone interact. energy: -2.046 local terms energy: -589.298645 where: bonds (distance) C4'-P energy: -122.116 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -141.441 flat angles P-C4'-P energy: -83.920 tors. eta vs tors. theta energy: -131.298 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: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1803.112935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.112935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.112935 (E_RNA) where: Base-Base interactions energy: -1235.340 where: short stacking energy: -531.069 Base-Backbone interact. energy: -2.829 local terms energy: -564.943410 where: bonds (distance) C4'-P energy: -111.584 bonds (distance) P-C4' energy: -122.157 flat angles C4'-P-C4' energy: -113.120 flat angles P-C4'-P energy: -74.224 tors. eta vs tors. theta energy: -143.858 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: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1496.406606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.406606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.406606 (E_RNA) where: Base-Base interactions energy: -988.881 where: short stacking energy: -465.978 Base-Backbone interact. energy: 3.859 local terms energy: -511.384301 where: bonds (distance) C4'-P energy: -112.223 bonds (distance) P-C4' energy: -103.770 flat angles C4'-P-C4' energy: -120.245 flat angles P-C4'-P energy: -70.240 tors. eta vs tors. theta energy: -104.907 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: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1167.026002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.026002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.026002 (E_RNA) where: Base-Base interactions energy: -753.432 where: short stacking energy: -341.094 Base-Backbone interact. energy: -3.701 local terms energy: -409.892159 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -113.356 flat angles C4'-P-C4' energy: -100.879 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -50.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -772.697910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.697910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.697910 (E_RNA) where: Base-Base interactions energy: -425.251 where: short stacking energy: -243.065 Base-Backbone interact. energy: 0.314 local terms energy: -347.761187 where: bonds (distance) C4'-P energy: -85.336 bonds (distance) P-C4' energy: -103.434 flat angles C4'-P-C4' energy: -94.034 flat angles P-C4'-P energy: -52.789 tors. eta vs tors. theta energy: -12.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2400.850724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.850724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.850724 (E_RNA) where: Base-Base interactions energy: -1699.791 where: short stacking energy: -695.241 Base-Backbone interact. energy: 6.289 local terms energy: -707.348425 where: bonds (distance) C4'-P energy: -132.219 bonds (distance) P-C4' energy: -129.927 flat angles C4'-P-C4' energy: -149.064 flat angles P-C4'-P energy: -97.030 tors. eta vs tors. theta energy: -199.108 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: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2298.459057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.459057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.459057 (E_RNA) where: Base-Base interactions energy: -1600.240 where: short stacking energy: -673.571 Base-Backbone interact. energy: -3.390 local terms energy: -694.829330 where: bonds (distance) C4'-P energy: -126.819 bonds (distance) P-C4' energy: -136.270 flat angles C4'-P-C4' energy: -151.790 flat angles P-C4'-P energy: -97.967 tors. eta vs tors. theta energy: -181.983 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: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2251.600099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.600099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.600099 (E_RNA) where: Base-Base interactions energy: -1567.388 where: short stacking energy: -664.321 Base-Backbone interact. energy: -2.710 local terms energy: -681.502071 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -125.798 flat angles C4'-P-C4' energy: -149.259 flat angles P-C4'-P energy: -86.844 tors. eta vs tors. theta energy: -191.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2127.406708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.406708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.406708 (E_RNA) where: Base-Base interactions energy: -1475.333 where: short stacking energy: -621.842 Base-Backbone interact. energy: -1.086 local terms energy: -650.988134 where: bonds (distance) C4'-P energy: -122.117 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -141.587 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -174.360 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: 5, replica: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2065.380813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.380813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.380813 (E_RNA) where: Base-Base interactions energy: -1462.258 where: short stacking energy: -594.789 Base-Backbone interact. energy: -4.816 local terms energy: -598.306492 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -132.050 flat angles P-C4'-P energy: -83.372 tors. eta vs tors. theta energy: -149.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1744.617683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.617683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.617683 (E_RNA) where: Base-Base interactions energy: -1186.933 where: short stacking energy: -512.236 Base-Backbone interact. energy: -1.403 local terms energy: -556.281560 where: bonds (distance) C4'-P energy: -104.217 bonds (distance) P-C4' energy: -103.101 flat angles C4'-P-C4' energy: -131.502 flat angles P-C4'-P energy: -82.537 tors. eta vs tors. theta energy: -134.925 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: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1794.087106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.087106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.087106 (E_RNA) where: Base-Base interactions energy: -1233.973 where: short stacking energy: -515.366 Base-Backbone interact. energy: -3.599 local terms energy: -556.515431 where: bonds (distance) C4'-P energy: -116.570 bonds (distance) P-C4' energy: -104.894 flat angles C4'-P-C4' energy: -136.525 flat angles P-C4'-P energy: -64.201 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: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1510.040744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.040744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.040744 (E_RNA) where: Base-Base interactions energy: -1019.973 where: short stacking energy: -440.594 Base-Backbone interact. energy: -4.486 local terms energy: -485.582429 where: bonds (distance) C4'-P energy: -100.842 bonds (distance) P-C4' energy: -98.999 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -79.022 tors. eta vs tors. theta energy: -96.541 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: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1137.986290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.986290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.986290 (E_RNA) where: Base-Base interactions energy: -695.608 where: short stacking energy: -311.078 Base-Backbone interact. energy: -3.479 local terms energy: -438.899392 where: bonds (distance) C4'-P energy: -90.018 bonds (distance) P-C4' energy: -107.845 flat angles C4'-P-C4' energy: -113.273 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -61.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -738.731642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.731642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.731642 (E_RNA) where: Base-Base interactions energy: -377.216 where: short stacking energy: -186.779 Base-Backbone interact. energy: -1.651 local terms energy: -359.865219 where: bonds (distance) C4'-P energy: -98.035 bonds (distance) P-C4' energy: -111.177 flat angles C4'-P-C4' energy: -84.512 flat angles P-C4'-P energy: -63.018 tors. eta vs tors. theta energy: -3.123 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: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2392.063286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.063286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.063286 (E_RNA) where: Base-Base interactions energy: -1685.276 where: short stacking energy: -695.481 Base-Backbone interact. energy: -3.202 local terms energy: -703.585041 where: bonds (distance) C4'-P energy: -116.246 bonds (distance) P-C4' energy: -139.360 flat angles C4'-P-C4' energy: -149.484 flat angles P-C4'-P energy: -98.075 tors. eta vs tors. theta energy: -200.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2303.057500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.057500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.057500 (E_RNA) where: Base-Base interactions energy: -1581.444 where: short stacking energy: -681.142 Base-Backbone interact. energy: -5.573 local terms energy: -716.041009 where: bonds (distance) C4'-P energy: -141.846 bonds (distance) P-C4' energy: -141.760 flat angles C4'-P-C4' energy: -141.232 flat angles P-C4'-P energy: -99.751 tors. eta vs tors. theta energy: -191.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2222.852305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.852305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.852305 (E_RNA) where: Base-Base interactions energy: -1562.251 where: short stacking energy: -666.146 Base-Backbone interact. energy: -2.851 local terms energy: -657.749544 where: bonds (distance) C4'-P energy: -114.415 bonds (distance) P-C4' energy: -124.247 flat angles C4'-P-C4' energy: -134.742 flat angles P-C4'-P energy: -97.307 tors. eta vs tors. theta energy: -187.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2119.381856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.381856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.381856 (E_RNA) where: Base-Base interactions energy: -1452.788 where: short stacking energy: -625.912 Base-Backbone interact. energy: -0.782 local terms energy: -665.812379 where: bonds (distance) C4'-P energy: -127.682 bonds (distance) P-C4' energy: -126.504 flat angles C4'-P-C4' energy: -145.276 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -181.766 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: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2095.684819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.684819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.684819 (E_RNA) where: Base-Base interactions energy: -1483.706 where: short stacking energy: -608.048 Base-Backbone interact. energy: -1.138 local terms energy: -610.839948 where: bonds (distance) C4'-P energy: -108.329 bonds (distance) P-C4' energy: -124.200 flat angles C4'-P-C4' energy: -127.998 flat angles P-C4'-P energy: -88.074 tors. eta vs tors. theta energy: -162.238 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: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1841.583390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.583390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.583390 (E_RNA) where: Base-Base interactions energy: -1240.836 where: short stacking energy: -544.211 Base-Backbone interact. energy: -5.114 local terms energy: -595.632821 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -117.277 flat angles C4'-P-C4' energy: -124.496 flat angles P-C4'-P energy: -86.645 tors. eta vs tors. theta energy: -144.699 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: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1723.478074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.478074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.478074 (E_RNA) where: Base-Base interactions energy: -1172.487 where: short stacking energy: -515.388 Base-Backbone interact. energy: -2.162 local terms energy: -548.829432 where: bonds (distance) C4'-P energy: -114.489 bonds (distance) P-C4' energy: -105.382 flat angles C4'-P-C4' energy: -120.314 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -139.213 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: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1534.308712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.308712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.308712 (E_RNA) where: Base-Base interactions energy: -1012.311 where: short stacking energy: -451.165 Base-Backbone interact. energy: 0.974 local terms energy: -522.971995 where: bonds (distance) C4'-P energy: -99.660 bonds (distance) P-C4' energy: -113.301 flat angles C4'-P-C4' energy: -131.493 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: -96.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1157.269282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.269282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.269282 (E_RNA) where: Base-Base interactions energy: -717.540 where: short stacking energy: -338.275 Base-Backbone interact. energy: -2.257 local terms energy: -437.472211 where: bonds (distance) C4'-P energy: -98.211 bonds (distance) P-C4' energy: -112.487 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -52.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -702.784443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.784443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.784443 (E_RNA) where: Base-Base interactions energy: -393.487 where: short stacking energy: -211.661 Base-Backbone interact. energy: -3.317 local terms energy: -305.981132 where: bonds (distance) C4'-P energy: -73.876 bonds (distance) P-C4' energy: -98.580 flat angles C4'-P-C4' energy: -82.656 flat angles P-C4'-P energy: -45.861 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2403.656006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.656006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.656006 (E_RNA) where: Base-Base interactions energy: -1681.734 where: short stacking energy: -708.815 Base-Backbone interact. energy: -3.661 local terms energy: -718.261254 where: bonds (distance) C4'-P energy: -146.190 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -146.653 flat angles P-C4'-P energy: -90.350 tors. eta vs tors. theta energy: -199.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2276.645923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.645923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.645923 (E_RNA) where: Base-Base interactions energy: -1602.862 where: short stacking energy: -692.121 Base-Backbone interact. energy: -2.547 local terms energy: -671.236727 where: bonds (distance) C4'-P energy: -121.067 bonds (distance) P-C4' energy: -120.910 flat angles C4'-P-C4' energy: -142.603 flat angles P-C4'-P energy: -103.094 tors. eta vs tors. theta energy: -183.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2207.087684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.087684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.087684 (E_RNA) where: Base-Base interactions energy: -1532.362 where: short stacking energy: -655.193 Base-Backbone interact. energy: -3.633 local terms energy: -671.092889 where: bonds (distance) C4'-P energy: -119.717 bonds (distance) P-C4' energy: -130.533 flat angles C4'-P-C4' energy: -143.910 flat angles P-C4'-P energy: -90.111 tors. eta vs tors. theta energy: -186.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2105.290741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.290741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.290741 (E_RNA) where: Base-Base interactions energy: -1466.990 where: short stacking energy: -603.929 Base-Backbone interact. energy: -3.023 local terms energy: -635.278511 where: bonds (distance) C4'-P energy: -114.250 bonds (distance) P-C4' energy: -121.465 flat angles C4'-P-C4' energy: -134.525 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -171.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2132.308785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.308785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.308785 (E_RNA) where: Base-Base interactions energy: -1500.768 where: short stacking energy: -612.437 Base-Backbone interact. energy: -2.779 local terms energy: -628.761219 where: bonds (distance) C4'-P energy: -123.555 bonds (distance) P-C4' energy: -129.045 flat angles C4'-P-C4' energy: -129.919 flat angles P-C4'-P energy: -80.344 tors. eta vs tors. theta energy: -165.899 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1859.664525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.664525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.664525 (E_RNA) where: Base-Base interactions energy: -1275.777 where: short stacking energy: -533.231 Base-Backbone interact. energy: -3.132 local terms energy: -580.756079 where: bonds (distance) C4'-P energy: -114.597 bonds (distance) P-C4' energy: -111.664 flat angles C4'-P-C4' energy: -129.598 flat angles P-C4'-P energy: -84.649 tors. eta vs tors. theta energy: -140.248 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: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1668.511399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.511399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.511399 (E_RNA) where: Base-Base interactions energy: -1132.422 where: short stacking energy: -481.332 Base-Backbone interact. energy: 1.475 local terms energy: -537.564339 where: bonds (distance) C4'-P energy: -110.855 bonds (distance) P-C4' energy: -120.139 flat angles C4'-P-C4' energy: -110.938 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: -121.629 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: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1538.049176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.049176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.049176 (E_RNA) where: Base-Base interactions energy: -1058.365 where: short stacking energy: -458.660 Base-Backbone interact. energy: 0.492 local terms energy: -480.176169 where: bonds (distance) C4'-P energy: -84.070 bonds (distance) P-C4' energy: -94.330 flat angles C4'-P-C4' energy: -111.800 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -115.307 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: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1104.835078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.835078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.835078 (E_RNA) where: Base-Base interactions energy: -684.675 where: short stacking energy: -317.892 Base-Backbone interact. energy: 0.485 local terms energy: -420.645311 where: bonds (distance) C4'-P energy: -93.871 bonds (distance) P-C4' energy: -107.344 flat angles C4'-P-C4' energy: -97.855 flat angles P-C4'-P energy: -76.577 tors. eta vs tors. theta energy: -44.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -722.419282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.419282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.419282 (E_RNA) where: Base-Base interactions energy: -360.251 where: short stacking energy: -196.048 Base-Backbone interact. energy: 1.172 local terms energy: -363.340864 where: bonds (distance) C4'-P energy: -97.431 bonds (distance) P-C4' energy: -111.031 flat angles C4'-P-C4' energy: -97.739 flat angles P-C4'-P energy: -67.999 tors. eta vs tors. theta energy: 10.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2398.443169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.443169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.443169 (E_RNA) where: Base-Base interactions energy: -1674.555 where: short stacking energy: -715.242 Base-Backbone interact. energy: 3.964 local terms energy: -727.852483 where: bonds (distance) C4'-P energy: -132.981 bonds (distance) P-C4' energy: -134.341 flat angles C4'-P-C4' energy: -149.723 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -209.781 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2313.021688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.021688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.021688 (E_RNA) where: Base-Base interactions energy: -1620.721 where: short stacking energy: -678.109 Base-Backbone interact. energy: -4.175 local terms energy: -688.125130 where: bonds (distance) C4'-P energy: -121.278 bonds (distance) P-C4' energy: -130.876 flat angles C4'-P-C4' energy: -148.839 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -185.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2205.620260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.620260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.620260 (E_RNA) where: Base-Base interactions energy: -1544.261 where: short stacking energy: -633.424 Base-Backbone interact. energy: -1.440 local terms energy: -659.919876 where: bonds (distance) C4'-P energy: -122.390 bonds (distance) P-C4' energy: -114.591 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -97.962 tors. eta vs tors. theta energy: -178.914 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: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2138.447374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.447374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.447374 (E_RNA) where: Base-Base interactions energy: -1491.916 where: short stacking energy: -620.229 Base-Backbone interact. energy: 0.511 local terms energy: -647.042652 where: bonds (distance) C4'-P energy: -123.151 bonds (distance) P-C4' energy: -117.871 flat angles C4'-P-C4' energy: -137.181 flat angles P-C4'-P energy: -94.409 tors. eta vs tors. theta energy: -174.430 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: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2103.682887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.682887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.682887 (E_RNA) where: Base-Base interactions energy: -1498.931 where: short stacking energy: -597.065 Base-Backbone interact. energy: -1.659 local terms energy: -603.092406 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -109.337 flat angles C4'-P-C4' energy: -122.376 flat angles P-C4'-P energy: -94.473 tors. eta vs tors. theta energy: -162.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1887.583214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.583214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.583214 (E_RNA) where: Base-Base interactions energy: -1316.775 where: short stacking energy: -569.484 Base-Backbone interact. energy: 0.133 local terms energy: -570.940614 where: bonds (distance) C4'-P energy: -115.163 bonds (distance) P-C4' energy: -104.614 flat angles C4'-P-C4' energy: -129.735 flat angles P-C4'-P energy: -94.705 tors. eta vs tors. theta energy: -126.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1643.696251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.696251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.696251 (E_RNA) where: Base-Base interactions energy: -1110.856 where: short stacking energy: -485.176 Base-Backbone interact. energy: 0.979 local terms energy: -533.818593 where: bonds (distance) C4'-P energy: -97.581 bonds (distance) P-C4' energy: -114.967 flat angles C4'-P-C4' energy: -121.098 flat angles P-C4'-P energy: -73.363 tors. eta vs tors. theta energy: -126.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1496.301177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.301177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.301177 (E_RNA) where: Base-Base interactions energy: -998.304 where: short stacking energy: -437.924 Base-Backbone interact. energy: 1.240 local terms energy: -499.237100 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -105.911 flat angles C4'-P-C4' energy: -111.559 flat angles P-C4'-P energy: -66.382 tors. eta vs tors. theta energy: -109.636 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: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1129.128731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.128731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.128731 (E_RNA) where: Base-Base interactions energy: -720.627 where: short stacking energy: -345.281 Base-Backbone interact. energy: -1.144 local terms energy: -407.358127 where: bonds (distance) C4'-P energy: -105.673 bonds (distance) P-C4' energy: -103.573 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: -47.875 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: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -713.311467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.311467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.311467 (E_RNA) where: Base-Base interactions energy: -363.275 where: short stacking energy: -225.200 Base-Backbone interact. energy: -0.307 local terms energy: -349.729923 where: bonds (distance) C4'-P energy: -90.573 bonds (distance) P-C4' energy: -114.421 flat angles C4'-P-C4' energy: -83.448 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2402.510972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.510972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.510972 (E_RNA) where: Base-Base interactions energy: -1709.454 where: short stacking energy: -723.595 Base-Backbone interact. energy: 1.462 local terms energy: -694.518834 where: bonds (distance) C4'-P energy: -119.769 bonds (distance) P-C4' energy: -119.205 flat angles C4'-P-C4' energy: -162.317 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -189.905 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: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2328.729646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.729646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.729646 (E_RNA) where: Base-Base interactions energy: -1646.301 where: short stacking energy: -682.933 Base-Backbone interact. energy: -3.525 local terms energy: -678.903352 where: bonds (distance) C4'-P energy: -128.333 bonds (distance) P-C4' energy: -119.746 flat angles C4'-P-C4' energy: -154.498 flat angles P-C4'-P energy: -91.547 tors. eta vs tors. theta energy: -184.780 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: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2184.903150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.903150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.903150 (E_RNA) where: Base-Base interactions energy: -1492.326 where: short stacking energy: -630.328 Base-Backbone interact. energy: -3.145 local terms energy: -689.431528 where: bonds (distance) C4'-P energy: -126.739 bonds (distance) P-C4' energy: -127.455 flat angles C4'-P-C4' energy: -150.053 flat angles P-C4'-P energy: -102.515 tors. eta vs tors. theta energy: -182.669 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: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2115.239207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.239207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.239207 (E_RNA) where: Base-Base interactions energy: -1479.827 where: short stacking energy: -626.804 Base-Backbone interact. energy: 0.048 local terms energy: -635.460531 where: bonds (distance) C4'-P energy: -110.825 bonds (distance) P-C4' energy: -131.979 flat angles C4'-P-C4' energy: -133.903 flat angles P-C4'-P energy: -88.607 tors. eta vs tors. theta energy: -170.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2099.035907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.035907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.035907 (E_RNA) where: Base-Base interactions energy: -1490.303 where: short stacking energy: -611.874 Base-Backbone interact. energy: -1.216 local terms energy: -607.517445 where: bonds (distance) C4'-P energy: -107.756 bonds (distance) P-C4' energy: -119.950 flat angles C4'-P-C4' energy: -116.416 flat angles P-C4'-P energy: -92.456 tors. eta vs tors. theta energy: -170.939 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: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1863.142413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.142413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.142413 (E_RNA) where: Base-Base interactions energy: -1293.131 where: short stacking energy: -535.598 Base-Backbone interact. energy: -2.506 local terms energy: -567.505460 where: bonds (distance) C4'-P energy: -113.381 bonds (distance) P-C4' energy: -95.272 flat angles C4'-P-C4' energy: -141.039 flat angles P-C4'-P energy: -90.404 tors. eta vs tors. theta energy: -127.409 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: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1653.852875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.852875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.852875 (E_RNA) where: Base-Base interactions energy: -1084.308 where: short stacking energy: -482.387 Base-Backbone interact. energy: 1.482 local terms energy: -571.027517 where: bonds (distance) C4'-P energy: -114.743 bonds (distance) P-C4' energy: -126.463 flat angles C4'-P-C4' energy: -135.777 flat angles P-C4'-P energy: -75.464 tors. eta vs tors. theta energy: -118.580 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: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1443.120657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.120657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.120657 (E_RNA) where: Base-Base interactions energy: -960.859 where: short stacking energy: -436.967 Base-Backbone interact. energy: -1.791 local terms energy: -480.470670 where: bonds (distance) C4'-P energy: -97.586 bonds (distance) P-C4' energy: -115.960 flat angles C4'-P-C4' energy: -106.255 flat angles P-C4'-P energy: -64.898 tors. eta vs tors. theta energy: -95.772 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: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1079.149828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.149828 (E_RNA) where: Base-Base interactions energy: -668.663 where: short stacking energy: -305.434 Base-Backbone interact. energy: 3.715 local terms energy: -414.202102 where: bonds (distance) C4'-P energy: -107.478 bonds (distance) P-C4' energy: -108.282 flat angles C4'-P-C4' energy: -95.471 flat angles P-C4'-P energy: -63.269 tors. eta vs tors. theta energy: -39.703 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: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -766.901358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.901358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.901358 (E_RNA) where: Base-Base interactions energy: -416.639 where: short stacking energy: -234.708 Base-Backbone interact. energy: 4.576 local terms energy: -354.838285 where: bonds (distance) C4'-P energy: -94.369 bonds (distance) P-C4' energy: -107.248 flat angles C4'-P-C4' energy: -83.582 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -16.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2407.445137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.445137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.445137 (E_RNA) where: Base-Base interactions energy: -1697.552 where: short stacking energy: -710.580 Base-Backbone interact. energy: -0.500 local terms energy: -709.393150 where: bonds (distance) C4'-P energy: -124.696 bonds (distance) P-C4' energy: -129.959 flat angles C4'-P-C4' energy: -152.660 flat angles P-C4'-P energy: -102.788 tors. eta vs tors. theta energy: -199.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2325.042698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.042698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.042698 (E_RNA) where: Base-Base interactions energy: -1644.053 where: short stacking energy: -684.806 Base-Backbone interact. energy: -5.883 local terms energy: -675.107052 where: bonds (distance) C4'-P energy: -123.292 bonds (distance) P-C4' energy: -128.234 flat angles C4'-P-C4' energy: -148.251 flat angles P-C4'-P energy: -94.860 tors. eta vs tors. theta energy: -180.470 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: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2199.153424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.153424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.153424 (E_RNA) where: Base-Base interactions energy: -1546.462 where: short stacking energy: -668.332 Base-Backbone interact. energy: -2.825 local terms energy: -649.866892 where: bonds (distance) C4'-P energy: -124.578 bonds (distance) P-C4' energy: -124.186 flat angles C4'-P-C4' energy: -135.001 flat angles P-C4'-P energy: -83.353 tors. eta vs tors. theta energy: -182.749 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2174.595351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.595351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.595351 (E_RNA) where: Base-Base interactions energy: -1522.368 where: short stacking energy: -633.622 Base-Backbone interact. energy: -1.923 local terms energy: -650.304801 where: bonds (distance) C4'-P energy: -115.631 bonds (distance) P-C4' energy: -134.415 flat angles C4'-P-C4' energy: -139.744 flat angles P-C4'-P energy: -99.267 tors. eta vs tors. theta energy: -161.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2047.981253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.981253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.981253 (E_RNA) where: Base-Base interactions energy: -1450.387 where: short stacking energy: -589.132 Base-Backbone interact. energy: 1.742 local terms energy: -599.336848 where: bonds (distance) C4'-P energy: -126.004 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -122.355 flat angles P-C4'-P energy: -76.854 tors. eta vs tors. theta energy: -155.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1877.420992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.420992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.420992 (E_RNA) where: Base-Base interactions energy: -1288.061 where: short stacking energy: -536.913 Base-Backbone interact. energy: -1.776 local terms energy: -587.583389 where: bonds (distance) C4'-P energy: -105.406 bonds (distance) P-C4' energy: -117.446 flat angles C4'-P-C4' energy: -129.457 flat angles P-C4'-P energy: -94.466 tors. eta vs tors. theta energy: -140.809 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: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1621.205611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.205611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.205611 (E_RNA) where: Base-Base interactions energy: -1077.421 where: short stacking energy: -503.694 Base-Backbone interact. energy: -0.795 local terms energy: -542.989552 where: bonds (distance) C4'-P energy: -109.379 bonds (distance) P-C4' energy: -117.869 flat angles C4'-P-C4' energy: -122.920 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -124.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1516.481966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.481966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.481966 (E_RNA) where: Base-Base interactions energy: -1022.200 where: short stacking energy: -441.657 Base-Backbone interact. energy: 2.936 local terms energy: -497.217237 where: bonds (distance) C4'-P energy: -104.403 bonds (distance) P-C4' energy: -102.084 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -80.073 tors. eta vs tors. theta energy: -97.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1044.667021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.667021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.667021 (E_RNA) where: Base-Base interactions energy: -632.380 where: short stacking energy: -296.318 Base-Backbone interact. energy: -0.523 local terms energy: -411.763172 where: bonds (distance) C4'-P energy: -105.068 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -98.809 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -48.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -743.654472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.654472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.654472 (E_RNA) where: Base-Base interactions energy: -393.409 where: short stacking energy: -205.193 Base-Backbone interact. energy: -3.651 local terms energy: -346.594456 where: bonds (distance) C4'-P energy: -99.688 bonds (distance) P-C4' energy: -96.743 flat angles C4'-P-C4' energy: -97.136 flat angles P-C4'-P energy: -57.593 tors. eta vs tors. theta energy: 4.566 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: 420 Temperature: 0.900000 Total energy: -2397.589213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.589213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.589213 (E_RNA) where: Base-Base interactions energy: -1671.695 where: short stacking energy: -702.175 Base-Backbone interact. energy: -0.404 local terms energy: -725.490030 where: bonds (distance) C4'-P energy: -127.654 bonds (distance) P-C4' energy: -143.089 flat angles C4'-P-C4' energy: -153.972 flat angles P-C4'-P energy: -103.399 tors. eta vs tors. theta energy: -197.376 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: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2323.413180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.413180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.413180 (E_RNA) where: Base-Base interactions energy: -1626.535 where: short stacking energy: -693.476 Base-Backbone interact. energy: -0.155 local terms energy: -696.722778 where: bonds (distance) C4'-P energy: -123.844 bonds (distance) P-C4' energy: -135.758 flat angles C4'-P-C4' energy: -148.890 flat angles P-C4'-P energy: -102.409 tors. eta vs tors. theta energy: -185.822 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: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2206.294272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.294272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.294272 (E_RNA) where: Base-Base interactions energy: -1547.824 where: short stacking energy: -640.924 Base-Backbone interact. energy: 2.596 local terms energy: -661.067000 where: bonds (distance) C4'-P energy: -133.181 bonds (distance) P-C4' energy: -120.099 flat angles C4'-P-C4' energy: -142.531 flat angles P-C4'-P energy: -79.788 tors. eta vs tors. theta energy: -185.468 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: 9 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2139.066542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.066542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.066542 (E_RNA) where: Base-Base interactions energy: -1492.526 where: short stacking energy: -616.438 Base-Backbone interact. energy: -3.654 local terms energy: -642.886479 where: bonds (distance) C4'-P energy: -110.338 bonds (distance) P-C4' energy: -130.544 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -97.269 tors. eta vs tors. theta energy: -165.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2052.240012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.240012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.240012 (E_RNA) where: Base-Base interactions energy: -1434.782 where: short stacking energy: -604.979 Base-Backbone interact. energy: -3.459 local terms energy: -613.998903 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -131.539 flat angles C4'-P-C4' energy: -129.089 flat angles P-C4'-P energy: -89.481 tors. eta vs tors. theta energy: -157.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1853.757255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.757255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.757255 (E_RNA) where: Base-Base interactions energy: -1293.255 where: short stacking energy: -528.331 Base-Backbone interact. energy: -1.439 local terms energy: -559.063548 where: bonds (distance) C4'-P energy: -102.963 bonds (distance) P-C4' energy: -115.602 flat angles C4'-P-C4' energy: -122.897 flat angles P-C4'-P energy: -88.067 tors. eta vs tors. theta energy: -129.534 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: 3 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1664.436213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.436213 (E_RNA) where: Base-Base interactions energy: -1100.431 where: short stacking energy: -473.766 Base-Backbone interact. energy: -0.280 local terms energy: -563.725224 where: bonds (distance) C4'-P energy: -132.002 bonds (distance) P-C4' energy: -117.874 flat angles C4'-P-C4' energy: -117.421 flat angles P-C4'-P energy: -81.132 tors. eta vs tors. theta energy: -115.296 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: 420 Temperature: 1.250000 Total energy: -1478.631225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.631225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.631225 (E_RNA) where: Base-Base interactions energy: -987.573 where: short stacking energy: -427.344 Base-Backbone interact. energy: -0.759 local terms energy: -490.299384 where: bonds (distance) C4'-P energy: -99.461 bonds (distance) P-C4' energy: -113.004 flat angles C4'-P-C4' energy: -116.006 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: -89.213 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: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1062.102850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.102850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.102850 (E_RNA) where: Base-Base interactions energy: -665.116 where: short stacking energy: -293.800 Base-Backbone interact. energy: 2.603 local terms energy: -399.589644 where: bonds (distance) C4'-P energy: -94.436 bonds (distance) P-C4' energy: -102.749 flat angles C4'-P-C4' energy: -107.831 flat angles P-C4'-P energy: -65.164 tors. eta vs tors. theta energy: -29.410 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: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -750.702382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.702382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.702382 (E_RNA) where: Base-Base interactions energy: -396.918 where: short stacking energy: -231.366 Base-Backbone interact. energy: -1.741 local terms energy: -352.043445 where: bonds (distance) C4'-P energy: -94.002 bonds (distance) P-C4' energy: -108.988 flat angles C4'-P-C4' energy: -93.256 flat angles P-C4'-P energy: -54.495 tors. eta vs tors. theta energy: -1.301 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: 1, replica: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2431.408140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.408140 (E_RNA) where: Base-Base interactions energy: -1710.832 where: short stacking energy: -728.930 Base-Backbone interact. energy: -1.900 local terms energy: -718.676634 where: bonds (distance) C4'-P energy: -131.419 bonds (distance) P-C4' energy: -123.660 flat angles C4'-P-C4' energy: -150.546 flat angles P-C4'-P energy: -104.785 tors. eta vs tors. theta energy: -208.267 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: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2323.209625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.209625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.209625 (E_RNA) where: Base-Base interactions energy: -1615.417 where: short stacking energy: -696.014 Base-Backbone interact. energy: -0.509 local terms energy: -707.283568 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -130.894 flat angles C4'-P-C4' energy: -148.351 flat angles P-C4'-P energy: -106.636 tors. eta vs tors. theta energy: -191.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2195.501779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.501779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.501779 (E_RNA) where: Base-Base interactions energy: -1517.526 where: short stacking energy: -631.780 Base-Backbone interact. energy: -3.074 local terms energy: -674.901608 where: bonds (distance) C4'-P energy: -128.240 bonds (distance) P-C4' energy: -135.176 flat angles C4'-P-C4' energy: -129.367 flat angles P-C4'-P energy: -105.371 tors. eta vs tors. theta energy: -176.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2140.091680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.091680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.091680 (E_RNA) where: Base-Base interactions energy: -1523.050 where: short stacking energy: -625.239 Base-Backbone interact. energy: -2.200 local terms energy: -614.841705 where: bonds (distance) C4'-P energy: -96.669 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -124.763 flat angles P-C4'-P energy: -99.698 tors. eta vs tors. theta energy: -158.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2024.130178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.130178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.130178 (E_RNA) where: Base-Base interactions energy: -1421.191 where: short stacking energy: -569.802 Base-Backbone interact. energy: 1.417 local terms energy: -604.356490 where: bonds (distance) C4'-P energy: -127.768 bonds (distance) P-C4' energy: -94.620 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -88.796 tors. eta vs tors. theta energy: -158.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1836.423738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.423738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.423738 (E_RNA) where: Base-Base interactions energy: -1251.155 where: short stacking energy: -510.709 Base-Backbone interact. energy: -2.454 local terms energy: -582.814736 where: bonds (distance) C4'-P energy: -120.680 bonds (distance) P-C4' energy: -139.501 flat angles C4'-P-C4' energy: -126.497 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -131.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1718.959240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.959240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.959240 (E_RNA) where: Base-Base interactions energy: -1172.648 where: short stacking energy: -488.724 Base-Backbone interact. energy: -1.708 local terms energy: -544.603184 where: bonds (distance) C4'-P energy: -113.246 bonds (distance) P-C4' energy: -99.559 flat angles C4'-P-C4' energy: -134.696 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -122.470 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: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1488.767345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.767345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.767345 (E_RNA) where: Base-Base interactions energy: -985.968 where: short stacking energy: -435.854 Base-Backbone interact. energy: -4.601 local terms energy: -498.198698 where: bonds (distance) C4'-P energy: -108.710 bonds (distance) P-C4' energy: -106.746 flat angles C4'-P-C4' energy: -101.638 flat angles P-C4'-P energy: -70.137 tors. eta vs tors. theta energy: -110.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1058.160814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.160814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.160814 (E_RNA) where: Base-Base interactions energy: -659.866 where: short stacking energy: -301.177 Base-Backbone interact. energy: 1.975 local terms energy: -400.269160 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -107.157 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -64.352 tors. eta vs tors. theta energy: -30.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -692.298801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.298801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.298801 (E_RNA) where: Base-Base interactions energy: -310.002 where: short stacking energy: -173.327 Base-Backbone interact. energy: -0.129 local terms energy: -382.167815 where: bonds (distance) C4'-P energy: -114.045 bonds (distance) P-C4' energy: -108.032 flat angles C4'-P-C4' energy: -99.918 flat angles P-C4'-P energy: -64.460 tors. eta vs tors. theta energy: 4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2413.626637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.626637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.626637 (E_RNA) where: Base-Base interactions energy: -1686.516 where: short stacking energy: -705.565 Base-Backbone interact. energy: -0.910 local terms energy: -726.200736 where: bonds (distance) C4'-P energy: -134.725 bonds (distance) P-C4' energy: -133.592 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -105.799 tors. eta vs tors. theta energy: -199.637 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: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2353.683442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.683442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.683442 (E_RNA) where: Base-Base interactions energy: -1677.857 where: short stacking energy: -698.115 Base-Backbone interact. energy: -1.175 local terms energy: -674.651299 where: bonds (distance) C4'-P energy: -129.921 bonds (distance) P-C4' energy: -121.922 flat angles C4'-P-C4' energy: -140.394 flat angles P-C4'-P energy: -94.940 tors. eta vs tors. theta energy: -187.475 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: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2225.356079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.356079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.356079 (E_RNA) where: Base-Base interactions energy: -1539.980 where: short stacking energy: -668.431 Base-Backbone interact. energy: -2.749 local terms energy: -682.627590 where: bonds (distance) C4'-P energy: -118.229 bonds (distance) P-C4' energy: -135.043 flat angles C4'-P-C4' energy: -152.214 flat angles P-C4'-P energy: -97.845 tors. eta vs tors. theta energy: -179.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2145.732232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.732232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.732232 (E_RNA) where: Base-Base interactions energy: -1509.841 where: short stacking energy: -652.333 Base-Backbone interact. energy: 3.809 local terms energy: -639.700282 where: bonds (distance) C4'-P energy: -118.018 bonds (distance) P-C4' energy: -114.454 flat angles C4'-P-C4' energy: -140.298 flat angles P-C4'-P energy: -92.186 tors. eta vs tors. theta energy: -174.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2037.128625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.128625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.128625 (E_RNA) where: Base-Base interactions energy: -1436.440 where: short stacking energy: -590.396 Base-Backbone interact. energy: -1.323 local terms energy: -599.365139 where: bonds (distance) C4'-P energy: -113.072 bonds (distance) P-C4' energy: -109.285 flat angles C4'-P-C4' energy: -139.484 flat angles P-C4'-P energy: -92.067 tors. eta vs tors. theta energy: -145.458 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: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1840.492828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.492828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.492828 (E_RNA) where: Base-Base interactions energy: -1286.339 where: short stacking energy: -554.331 Base-Backbone interact. energy: -0.821 local terms energy: -553.333216 where: bonds (distance) C4'-P energy: -99.885 bonds (distance) P-C4' energy: -115.357 flat angles C4'-P-C4' energy: -125.328 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -145.287 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: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1708.308035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.308035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.308035 (E_RNA) where: Base-Base interactions energy: -1171.343 where: short stacking energy: -495.813 Base-Backbone interact. energy: -0.981 local terms energy: -535.983350 where: bonds (distance) C4'-P energy: -107.741 bonds (distance) P-C4' energy: -126.688 flat angles C4'-P-C4' energy: -121.193 flat angles P-C4'-P energy: -68.201 tors. eta vs tors. theta energy: -112.160 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: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1433.136542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.136542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.136542 (E_RNA) where: Base-Base interactions energy: -963.318 where: short stacking energy: -407.536 Base-Backbone interact. energy: -2.769 local terms energy: -467.049484 where: bonds (distance) C4'-P energy: -104.720 bonds (distance) P-C4' energy: -102.492 flat angles C4'-P-C4' energy: -119.458 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -75.786 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: 9, replica: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1117.215290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.215290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.215290 (E_RNA) where: Base-Base interactions energy: -703.683 where: short stacking energy: -346.542 Base-Backbone interact. energy: 1.502 local terms energy: -415.034421 where: bonds (distance) C4'-P energy: -85.257 bonds (distance) P-C4' energy: -104.935 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -75.997 tors. eta vs tors. theta energy: -60.385 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: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -693.737646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.737646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.737646 (E_RNA) where: Base-Base interactions energy: -373.210 where: short stacking energy: -219.711 Base-Backbone interact. energy: 0.991 local terms energy: -321.518883 where: bonds (distance) C4'-P energy: -98.521 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -91.804 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -0.924 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: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2380.373061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.373061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.373061 (E_RNA) where: Base-Base interactions energy: -1659.455 where: short stacking energy: -684.971 Base-Backbone interact. energy: -0.652 local terms energy: -720.266016 where: bonds (distance) C4'-P energy: -117.600 bonds (distance) P-C4' energy: -142.901 flat angles C4'-P-C4' energy: -152.804 flat angles P-C4'-P energy: -110.412 tors. eta vs tors. theta energy: -196.548 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2337.995326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.995326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.995326 (E_RNA) where: Base-Base interactions energy: -1631.721 where: short stacking energy: -704.889 Base-Backbone interact. energy: -0.876 local terms energy: -705.397858 where: bonds (distance) C4'-P energy: -117.445 bonds (distance) P-C4' energy: -136.052 flat angles C4'-P-C4' energy: -152.909 flat angles P-C4'-P energy: -103.081 tors. eta vs tors. theta energy: -195.911 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: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2209.596983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.596983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.596983 (E_RNA) where: Base-Base interactions energy: -1531.655 where: short stacking energy: -653.507 Base-Backbone interact. energy: -1.607 local terms energy: -676.334684 where: bonds (distance) C4'-P energy: -135.071 bonds (distance) P-C4' energy: -114.039 flat angles C4'-P-C4' energy: -142.586 flat angles P-C4'-P energy: -103.367 tors. eta vs tors. theta energy: -181.271 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2159.817190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.817190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.817190 (E_RNA) where: Base-Base interactions energy: -1521.689 where: short stacking energy: -637.106 Base-Backbone interact. energy: -4.096 local terms energy: -634.031621 where: bonds (distance) C4'-P energy: -126.871 bonds (distance) P-C4' energy: -106.556 flat angles C4'-P-C4' energy: -136.200 flat angles P-C4'-P energy: -97.100 tors. eta vs tors. theta energy: -167.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2051.072075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.072075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.072075 (E_RNA) where: Base-Base interactions energy: -1466.204 where: short stacking energy: -621.204 Base-Backbone interact. energy: -0.877 local terms energy: -583.990708 where: bonds (distance) C4'-P energy: -109.107 bonds (distance) P-C4' energy: -109.280 flat angles C4'-P-C4' energy: -132.107 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -158.982 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: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1867.368074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.368074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.368074 (E_RNA) where: Base-Base interactions energy: -1287.996 where: short stacking energy: -557.628 Base-Backbone interact. energy: 2.824 local terms energy: -582.196255 where: bonds (distance) C4'-P energy: -123.169 bonds (distance) P-C4' energy: -123.867 flat angles C4'-P-C4' energy: -119.974 flat angles P-C4'-P energy: -76.854 tors. eta vs tors. theta energy: -138.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1730.975921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.975921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.975921 (E_RNA) where: Base-Base interactions energy: -1168.578 where: short stacking energy: -501.041 Base-Backbone interact. energy: -1.037 local terms energy: -561.360721 where: bonds (distance) C4'-P energy: -109.085 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -119.017 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -125.818 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: 423 Temperature: 1.250000 Total energy: -1447.318689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.318689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.318689 (E_RNA) where: Base-Base interactions energy: -942.028 where: short stacking energy: -435.316 Base-Backbone interact. energy: -3.261 local terms energy: -502.029574 where: bonds (distance) C4'-P energy: -107.349 bonds (distance) P-C4' energy: -111.399 flat angles C4'-P-C4' energy: -123.452 flat angles P-C4'-P energy: -69.431 tors. eta vs tors. theta energy: -90.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1137.867369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.867369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.867369 (E_RNA) where: Base-Base interactions energy: -698.427 where: short stacking energy: -323.750 Base-Backbone interact. energy: -5.064 local terms energy: -434.376335 where: bonds (distance) C4'-P energy: -104.843 bonds (distance) P-C4' energy: -87.982 flat angles C4'-P-C4' energy: -120.810 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: -48.592 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: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -700.068710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.068710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.068710 (E_RNA) where: Base-Base interactions energy: -337.094 where: short stacking energy: -212.224 Base-Backbone interact. energy: 0.508 local terms energy: -363.482915 where: bonds (distance) C4'-P energy: -94.338 bonds (distance) P-C4' energy: -105.593 flat angles C4'-P-C4' energy: -84.182 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -14.705 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: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2378.983274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.983274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.983274 (E_RNA) where: Base-Base interactions energy: -1668.447 where: short stacking energy: -724.013 Base-Backbone interact. energy: -0.528 local terms energy: -710.008547 where: bonds (distance) C4'-P energy: -125.599 bonds (distance) P-C4' energy: -126.859 flat angles C4'-P-C4' energy: -148.088 flat angles P-C4'-P energy: -114.520 tors. eta vs tors. theta energy: -194.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2357.472974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.472974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.472974 (E_RNA) where: Base-Base interactions energy: -1636.049 where: short stacking energy: -672.432 Base-Backbone interact. energy: -6.041 local terms energy: -715.383049 where: bonds (distance) C4'-P energy: -136.848 bonds (distance) P-C4' energy: -137.825 flat angles C4'-P-C4' energy: -144.484 flat angles P-C4'-P energy: -104.310 tors. eta vs tors. theta energy: -191.916 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: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2208.384332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.384332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.384332 (E_RNA) where: Base-Base interactions energy: -1578.389 where: short stacking energy: -635.251 Base-Backbone interact. energy: -3.904 local terms energy: -626.091473 where: bonds (distance) C4'-P energy: -108.618 bonds (distance) P-C4' energy: -128.114 flat angles C4'-P-C4' energy: -135.359 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -162.984 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: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2147.722065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.722065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.722065 (E_RNA) where: Base-Base interactions energy: -1509.537 where: short stacking energy: -643.119 Base-Backbone interact. energy: -0.332 local terms energy: -637.853048 where: bonds (distance) C4'-P energy: -116.072 bonds (distance) P-C4' energy: -133.385 flat angles C4'-P-C4' energy: -140.463 flat angles P-C4'-P energy: -82.833 tors. eta vs tors. theta energy: -165.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2053.328780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.328780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.328780 (E_RNA) where: Base-Base interactions energy: -1458.006 where: short stacking energy: -624.714 Base-Backbone interact. energy: 0.606 local terms energy: -595.928559 where: bonds (distance) C4'-P energy: -102.442 bonds (distance) P-C4' energy: -100.391 flat angles C4'-P-C4' energy: -137.417 flat angles P-C4'-P energy: -82.302 tors. eta vs tors. theta energy: -173.376 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: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1914.532672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.532672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.532672 (E_RNA) where: Base-Base interactions energy: -1326.243 where: short stacking energy: -563.425 Base-Backbone interact. energy: 0.983 local terms energy: -589.272242 where: bonds (distance) C4'-P energy: -119.276 bonds (distance) P-C4' energy: -119.518 flat angles C4'-P-C4' energy: -124.373 flat angles P-C4'-P energy: -78.034 tors. eta vs tors. theta energy: -148.071 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: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1773.373886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.373886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.373886 (E_RNA) where: Base-Base interactions energy: -1238.619 where: short stacking energy: -547.068 Base-Backbone interact. energy: -0.006 local terms energy: -534.749658 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -110.952 flat angles C4'-P-C4' energy: -118.185 flat angles P-C4'-P energy: -74.168 tors. eta vs tors. theta energy: -133.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1466.524967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.524967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.524967 (E_RNA) where: Base-Base interactions energy: -988.347 where: short stacking energy: -446.463 Base-Backbone interact. energy: -2.347 local terms energy: -475.831085 where: bonds (distance) C4'-P energy: -109.029 bonds (distance) P-C4' energy: -117.173 flat angles C4'-P-C4' energy: -88.423 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -102.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1098.043165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.043165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.043165 (E_RNA) where: Base-Base interactions energy: -699.742 where: short stacking energy: -337.262 Base-Backbone interact. energy: 3.179 local terms energy: -401.480200 where: bonds (distance) C4'-P energy: -90.976 bonds (distance) P-C4' energy: -116.761 flat angles C4'-P-C4' energy: -95.518 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: -48.014 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: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -656.699563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.699563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.699563 (E_RNA) where: Base-Base interactions energy: -328.789 where: short stacking energy: -192.475 Base-Backbone interact. energy: 1.785 local terms energy: -329.696337 where: bonds (distance) C4'-P energy: -104.006 bonds (distance) P-C4' energy: -117.161 flat angles C4'-P-C4' energy: -75.063 flat angles P-C4'-P energy: -57.470 tors. eta vs tors. theta energy: 24.004 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2380.862915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.862915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.862915 (E_RNA) where: Base-Base interactions energy: -1671.984 where: short stacking energy: -711.892 Base-Backbone interact. energy: -0.281 local terms energy: -708.598199 where: bonds (distance) C4'-P energy: -132.895 bonds (distance) P-C4' energy: -133.076 flat angles C4'-P-C4' energy: -146.964 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -192.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2344.772817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.772817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.772817 (E_RNA) where: Base-Base interactions energy: -1652.582 where: short stacking energy: -689.453 Base-Backbone interact. energy: -5.464 local terms energy: -686.726593 where: bonds (distance) C4'-P energy: -129.232 bonds (distance) P-C4' energy: -130.325 flat angles C4'-P-C4' energy: -137.572 flat angles P-C4'-P energy: -93.487 tors. eta vs tors. theta energy: -196.111 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: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2183.076670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.076670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.076670 (E_RNA) where: Base-Base interactions energy: -1542.754 where: short stacking energy: -630.965 Base-Backbone interact. energy: -2.628 local terms energy: -637.694078 where: bonds (distance) C4'-P energy: -121.034 bonds (distance) P-C4' energy: -117.106 flat angles C4'-P-C4' energy: -146.484 flat angles P-C4'-P energy: -97.804 tors. eta vs tors. theta energy: -155.265 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: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2158.903211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.903211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.903211 (E_RNA) where: Base-Base interactions energy: -1496.785 where: short stacking energy: -616.292 Base-Backbone interact. energy: -4.686 local terms energy: -657.432061 where: bonds (distance) C4'-P energy: -110.867 bonds (distance) P-C4' energy: -131.473 flat angles C4'-P-C4' energy: -146.204 flat angles P-C4'-P energy: -99.013 tors. eta vs tors. theta energy: -169.874 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2060.359800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.359800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.359800 (E_RNA) where: Base-Base interactions energy: -1437.082 where: short stacking energy: -597.977 Base-Backbone interact. energy: -0.451 local terms energy: -622.826799 where: bonds (distance) C4'-P energy: -126.287 bonds (distance) P-C4' energy: -119.188 flat angles C4'-P-C4' energy: -135.845 flat angles P-C4'-P energy: -75.970 tors. eta vs tors. theta energy: -165.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1910.143604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.143604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.143604 (E_RNA) where: Base-Base interactions energy: -1325.400 where: short stacking energy: -580.337 Base-Backbone interact. energy: -3.754 local terms energy: -580.990490 where: bonds (distance) C4'-P energy: -122.689 bonds (distance) P-C4' energy: -111.966 flat angles C4'-P-C4' energy: -131.812 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -147.045 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: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1710.564274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.564274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.564274 (E_RNA) where: Base-Base interactions energy: -1160.595 where: short stacking energy: -506.085 Base-Backbone interact. energy: 1.180 local terms energy: -551.149072 where: bonds (distance) C4'-P energy: -119.700 bonds (distance) P-C4' energy: -96.791 flat angles C4'-P-C4' energy: -128.219 flat angles P-C4'-P energy: -83.200 tors. eta vs tors. theta energy: -123.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1395.470582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.470582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.470582 (E_RNA) where: Base-Base interactions energy: -944.637 where: short stacking energy: -414.680 Base-Backbone interact. energy: 3.679 local terms energy: -454.512889 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -120.547 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -77.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1097.692954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.692954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.692954 (E_RNA) where: Base-Base interactions energy: -714.036 where: short stacking energy: -336.192 Base-Backbone interact. energy: -1.206 local terms energy: -382.450765 where: bonds (distance) C4'-P energy: -73.749 bonds (distance) P-C4' energy: -98.244 flat angles C4'-P-C4' energy: -109.557 flat angles P-C4'-P energy: -57.041 tors. eta vs tors. theta energy: -43.860 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: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -660.083064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.083064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.083064 (E_RNA) where: Base-Base interactions energy: -315.639 where: short stacking energy: -194.325 Base-Backbone interact. energy: 1.556 local terms energy: -346.000481 where: bonds (distance) C4'-P energy: -108.860 bonds (distance) P-C4' energy: -83.114 flat angles C4'-P-C4' energy: -102.815 flat angles P-C4'-P energy: -51.451 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: 1, replica: 5 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2424.561718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.561718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.561718 (E_RNA) where: Base-Base interactions energy: -1728.201 where: short stacking energy: -704.218 Base-Backbone interact. energy: 0.427 local terms energy: -696.788401 where: bonds (distance) C4'-P energy: -135.867 bonds (distance) P-C4' energy: -128.205 flat angles C4'-P-C4' energy: -146.438 flat angles P-C4'-P energy: -93.239 tors. eta vs tors. theta energy: -193.040 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: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2331.744521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.744521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.744521 (E_RNA) where: Base-Base interactions energy: -1611.553 where: short stacking energy: -694.297 Base-Backbone interact. energy: 0.773 local terms energy: -720.965156 where: bonds (distance) C4'-P energy: -130.625 bonds (distance) P-C4' energy: -147.927 flat angles C4'-P-C4' energy: -150.060 flat angles P-C4'-P energy: -100.837 tors. eta vs tors. theta energy: -191.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2221.716270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.716270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.716270 (E_RNA) where: Base-Base interactions energy: -1546.247 where: short stacking energy: -643.888 Base-Backbone interact. energy: -0.930 local terms energy: -674.539809 where: bonds (distance) C4'-P energy: -120.462 bonds (distance) P-C4' energy: -134.886 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -103.183 tors. eta vs tors. theta energy: -187.261 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: 426 Temperature: 1.050000 Total energy: -2149.485372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.485372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.485372 (E_RNA) where: Base-Base interactions energy: -1498.463 where: short stacking energy: -649.364 Base-Backbone interact. energy: -4.137 local terms energy: -646.885471 where: bonds (distance) C4'-P energy: -119.884 bonds (distance) P-C4' energy: -110.609 flat angles C4'-P-C4' energy: -146.029 flat angles P-C4'-P energy: -92.706 tors. eta vs tors. theta energy: -177.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2015.592115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.592115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.592115 (E_RNA) where: Base-Base interactions energy: -1449.674 where: short stacking energy: -601.177 Base-Backbone interact. energy: -4.759 local terms energy: -561.159350 where: bonds (distance) C4'-P energy: -97.496 bonds (distance) P-C4' energy: -103.658 flat angles C4'-P-C4' energy: -131.107 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -158.638 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: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1857.195419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.195419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.195419 (E_RNA) where: Base-Base interactions energy: -1322.003 where: short stacking energy: -544.079 Base-Backbone interact. energy: -4.751 local terms energy: -530.441297 where: bonds (distance) C4'-P energy: -111.133 bonds (distance) P-C4' energy: -103.625 flat angles C4'-P-C4' energy: -121.031 flat angles P-C4'-P energy: -74.044 tors. eta vs tors. theta energy: -120.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1727.173843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.173843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.173843 (E_RNA) where: Base-Base interactions energy: -1220.649 where: short stacking energy: -511.423 Base-Backbone interact. energy: -3.113 local terms energy: -503.411998 where: bonds (distance) C4'-P energy: -103.292 bonds (distance) P-C4' energy: -101.983 flat angles C4'-P-C4' energy: -128.407 flat angles P-C4'-P energy: -59.891 tors. eta vs tors. theta energy: -109.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1485.236811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.236811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.236811 (E_RNA) where: Base-Base interactions energy: -1015.915 where: short stacking energy: -443.524 Base-Backbone interact. energy: -0.942 local terms energy: -468.380131 where: bonds (distance) C4'-P energy: -120.951 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -65.134 tors. eta vs tors. theta energy: -86.434 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: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1107.267006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.267006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.267006 (E_RNA) where: Base-Base interactions energy: -690.623 where: short stacking energy: -333.112 Base-Backbone interact. energy: 4.579 local terms energy: -421.223653 where: bonds (distance) C4'-P energy: -91.925 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -123.280 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -45.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -652.434691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.434691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.434691 (E_RNA) where: Base-Base interactions energy: -310.432 where: short stacking energy: -210.866 Base-Backbone interact. energy: -2.200 local terms energy: -339.802989 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -118.094 flat angles C4'-P-C4' energy: -70.976 flat angles P-C4'-P energy: -60.025 tors. eta vs tors. theta energy: 1.731 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: 5 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2416.184587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.184587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.184587 (E_RNA) where: Base-Base interactions energy: -1708.572 where: short stacking energy: -680.773 Base-Backbone interact. energy: -1.460 local terms energy: -706.152717 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -153.916 flat angles P-C4'-P energy: -100.432 tors. eta vs tors. theta energy: -201.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2321.628499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.628499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.628499 (E_RNA) where: Base-Base interactions energy: -1605.267 where: short stacking energy: -680.964 Base-Backbone interact. energy: 0.453 local terms energy: -716.814183 where: bonds (distance) C4'-P energy: -125.683 bonds (distance) P-C4' energy: -142.035 flat angles C4'-P-C4' energy: -148.728 flat angles P-C4'-P energy: -105.537 tors. eta vs tors. theta energy: -194.831 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: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2231.998284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.998284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.998284 (E_RNA) where: Base-Base interactions energy: -1554.687 where: short stacking energy: -659.533 Base-Backbone interact. energy: -1.739 local terms energy: -675.572138 where: bonds (distance) C4'-P energy: -118.376 bonds (distance) P-C4' energy: -130.758 flat angles C4'-P-C4' energy: -145.972 flat angles P-C4'-P energy: -92.492 tors. eta vs tors. theta energy: -187.974 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2139.008021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.008021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.008021 (E_RNA) where: Base-Base interactions energy: -1499.757 where: short stacking energy: -635.900 Base-Backbone interact. energy: 3.773 local terms energy: -643.024805 where: bonds (distance) C4'-P energy: -136.418 bonds (distance) P-C4' energy: -127.857 flat angles C4'-P-C4' energy: -133.986 flat angles P-C4'-P energy: -84.973 tors. eta vs tors. theta energy: -159.791 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: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2104.763873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.763873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.763873 (E_RNA) where: Base-Base interactions energy: -1493.233 where: short stacking energy: -611.910 Base-Backbone interact. energy: -2.282 local terms energy: -609.249268 where: bonds (distance) C4'-P energy: -122.736 bonds (distance) P-C4' energy: -112.982 flat angles C4'-P-C4' energy: -127.975 flat angles P-C4'-P energy: -93.054 tors. eta vs tors. theta energy: -152.503 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: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1766.530643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.530643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.530643 (E_RNA) where: Base-Base interactions energy: -1215.722 where: short stacking energy: -510.744 Base-Backbone interact. energy: -2.994 local terms energy: -547.814725 where: bonds (distance) C4'-P energy: -103.438 bonds (distance) P-C4' energy: -128.617 flat angles C4'-P-C4' energy: -140.766 flat angles P-C4'-P energy: -70.026 tors. eta vs tors. theta energy: -104.968 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: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1719.058227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.058227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.058227 (E_RNA) where: Base-Base interactions energy: -1205.756 where: short stacking energy: -533.744 Base-Backbone interact. energy: 5.381 local terms energy: -518.683525 where: bonds (distance) C4'-P energy: -104.250 bonds (distance) P-C4' energy: -100.720 flat angles C4'-P-C4' energy: -116.440 flat angles P-C4'-P energy: -68.776 tors. eta vs tors. theta energy: -128.497 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: 8, replica: 10 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1503.328616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.328616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.328616 (E_RNA) where: Base-Base interactions energy: -1002.995 where: short stacking energy: -441.545 Base-Backbone interact. energy: -2.022 local terms energy: -498.311348 where: bonds (distance) C4'-P energy: -98.091 bonds (distance) P-C4' energy: -114.757 flat angles C4'-P-C4' energy: -120.478 flat angles P-C4'-P energy: -77.105 tors. eta vs tors. theta energy: -87.881 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: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1105.677877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.677877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.677877 (E_RNA) where: Base-Base interactions energy: -684.446 where: short stacking energy: -322.259 Base-Backbone interact. energy: 1.474 local terms energy: -422.706349 where: bonds (distance) C4'-P energy: -93.434 bonds (distance) P-C4' energy: -91.349 flat angles C4'-P-C4' energy: -122.381 flat angles P-C4'-P energy: -63.455 tors. eta vs tors. theta energy: -52.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -625.267679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.267679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.267679 (E_RNA) where: Base-Base interactions energy: -279.234 where: short stacking energy: -175.741 Base-Backbone interact. energy: 3.923 local terms energy: -349.956869 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -103.276 flat angles C4'-P-C4' energy: -86.858 flat angles P-C4'-P energy: -57.802 tors. eta vs tors. theta energy: 4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2455.640954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.640954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.640954 (E_RNA) where: Base-Base interactions energy: -1735.686 where: short stacking energy: -706.581 Base-Backbone interact. energy: -2.704 local terms energy: -717.250398 where: bonds (distance) C4'-P energy: -125.878 bonds (distance) P-C4' energy: -138.544 flat angles C4'-P-C4' energy: -154.853 flat angles P-C4'-P energy: -102.915 tors. eta vs tors. theta energy: -195.060 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: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2301.444494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.444494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.444494 (E_RNA) where: Base-Base interactions energy: -1618.628 where: short stacking energy: -681.585 Base-Backbone interact. energy: 0.449 local terms energy: -683.265385 where: bonds (distance) C4'-P energy: -128.680 bonds (distance) P-C4' energy: -123.218 flat angles C4'-P-C4' energy: -144.468 flat angles P-C4'-P energy: -90.651 tors. eta vs tors. theta energy: -196.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2214.655406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.655406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.655406 (E_RNA) where: Base-Base interactions energy: -1538.452 where: short stacking energy: -653.705 Base-Backbone interact. energy: -2.296 local terms energy: -673.908112 where: bonds (distance) C4'-P energy: -130.041 bonds (distance) P-C4' energy: -123.721 flat angles C4'-P-C4' energy: -143.368 flat angles P-C4'-P energy: -103.237 tors. eta vs tors. theta energy: -173.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2127.617573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.617573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.617573 (E_RNA) where: Base-Base interactions energy: -1504.076 where: short stacking energy: -606.567 Base-Backbone interact. energy: -1.622 local terms energy: -621.920223 where: bonds (distance) C4'-P energy: -107.244 bonds (distance) P-C4' energy: -112.563 flat angles C4'-P-C4' energy: -148.655 flat angles P-C4'-P energy: -87.849 tors. eta vs tors. theta energy: -165.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2105.201392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.201392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.201392 (E_RNA) where: Base-Base interactions energy: -1470.981 where: short stacking energy: -615.942 Base-Backbone interact. energy: -3.326 local terms energy: -630.893826 where: bonds (distance) C4'-P energy: -121.561 bonds (distance) P-C4' energy: -124.328 flat angles C4'-P-C4' energy: -137.942 flat angles P-C4'-P energy: -93.782 tors. eta vs tors. theta energy: -153.281 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: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1791.862954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.862954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.862954 (E_RNA) where: Base-Base interactions energy: -1239.624 where: short stacking energy: -534.976 Base-Backbone interact. energy: 0.662 local terms energy: -552.900325 where: bonds (distance) C4'-P energy: -118.613 bonds (distance) P-C4' energy: -118.131 flat angles C4'-P-C4' energy: -129.957 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -122.684 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: 7, replica: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1744.306789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.306789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.306789 (E_RNA) where: Base-Base interactions energy: -1176.106 where: short stacking energy: -508.271 Base-Backbone interact. energy: -3.704 local terms energy: -564.495841 where: bonds (distance) C4'-P energy: -108.658 bonds (distance) P-C4' energy: -111.415 flat angles C4'-P-C4' energy: -132.199 flat angles P-C4'-P energy: -83.670 tors. eta vs tors. theta energy: -128.554 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: 10 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1410.099952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.099952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.099952 (E_RNA) where: Base-Base interactions energy: -940.531 where: short stacking energy: -424.588 Base-Backbone interact. energy: -1.176 local terms energy: -468.392696 where: bonds (distance) C4'-P energy: -78.261 bonds (distance) P-C4' energy: -110.372 flat angles C4'-P-C4' energy: -118.998 flat angles P-C4'-P energy: -72.321 tors. eta vs tors. theta energy: -88.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1131.830600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.830600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.830600 (E_RNA) where: Base-Base interactions energy: -679.266 where: short stacking energy: -340.661 Base-Backbone interact. energy: -0.272 local terms energy: -452.292968 where: bonds (distance) C4'-P energy: -105.394 bonds (distance) P-C4' energy: -100.582 flat angles C4'-P-C4' energy: -102.660 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: -71.843 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: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -627.989465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.989465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.989465 (E_RNA) where: Base-Base interactions energy: -264.750 where: short stacking energy: -194.324 Base-Backbone interact. energy: -1.433 local terms energy: -361.806268 where: bonds (distance) C4'-P energy: -101.589 bonds (distance) P-C4' energy: -123.023 flat angles C4'-P-C4' energy: -82.233 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: 9.381 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: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2408.457780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.457780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.457780 (E_RNA) where: Base-Base interactions energy: -1698.221 where: short stacking energy: -697.989 Base-Backbone interact. energy: -3.404 local terms energy: -706.832840 where: bonds (distance) C4'-P energy: -131.541 bonds (distance) P-C4' energy: -131.269 flat angles C4'-P-C4' energy: -138.236 flat angles P-C4'-P energy: -109.727 tors. eta vs tors. theta energy: -196.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2277.214018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.214018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.214018 (E_RNA) where: Base-Base interactions energy: -1591.880 where: short stacking energy: -663.030 Base-Backbone interact. energy: -0.311 local terms energy: -685.023404 where: bonds (distance) C4'-P energy: -135.636 bonds (distance) P-C4' energy: -134.554 flat angles C4'-P-C4' energy: -141.399 flat angles P-C4'-P energy: -97.072 tors. eta vs tors. theta energy: -176.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2216.699376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.699376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.699376 (E_RNA) where: Base-Base interactions energy: -1562.725 where: short stacking energy: -657.761 Base-Backbone interact. energy: 0.538 local terms energy: -654.512504 where: bonds (distance) C4'-P energy: -118.566 bonds (distance) P-C4' energy: -116.432 flat angles C4'-P-C4' energy: -138.981 flat angles P-C4'-P energy: -93.412 tors. eta vs tors. theta energy: -187.122 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: 4, replica: 6 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2156.669698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.669698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.669698 (E_RNA) where: Base-Base interactions energy: -1503.263 where: short stacking energy: -603.339 Base-Backbone interact. energy: 3.320 local terms energy: -656.726902 where: bonds (distance) C4'-P energy: -118.617 bonds (distance) P-C4' energy: -120.825 flat angles C4'-P-C4' energy: -149.144 flat angles P-C4'-P energy: -95.999 tors. eta vs tors. theta energy: -172.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2071.985393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.985393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.985393 (E_RNA) where: Base-Base interactions energy: -1469.085 where: short stacking energy: -598.471 Base-Backbone interact. energy: -2.160 local terms energy: -600.740116 where: bonds (distance) C4'-P energy: -122.207 bonds (distance) P-C4' energy: -110.645 flat angles C4'-P-C4' energy: -119.880 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -170.047 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: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1799.254746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.254746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.254746 (E_RNA) where: Base-Base interactions energy: -1245.674 where: short stacking energy: -531.726 Base-Backbone interact. energy: -2.140 local terms energy: -551.441184 where: bonds (distance) C4'-P energy: -109.092 bonds (distance) P-C4' energy: -107.635 flat angles C4'-P-C4' energy: -122.856 flat angles P-C4'-P energy: -77.564 tors. eta vs tors. theta energy: -134.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1689.181812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.181812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.181812 (E_RNA) where: Base-Base interactions energy: -1154.560 where: short stacking energy: -498.215 Base-Backbone interact. energy: -2.150 local terms energy: -532.472709 where: bonds (distance) C4'-P energy: -126.597 bonds (distance) P-C4' energy: -105.379 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -74.253 tors. eta vs tors. theta energy: -119.155 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: 8, replica: 10 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1464.386842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.386842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.386842 (E_RNA) where: Base-Base interactions energy: -980.421 where: short stacking energy: -458.026 Base-Backbone interact. energy: -1.392 local terms energy: -482.574408 where: bonds (distance) C4'-P energy: -118.773 bonds (distance) P-C4' energy: -99.040 flat angles C4'-P-C4' energy: -115.772 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -96.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1100.019927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.019927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.019927 (E_RNA) where: Base-Base interactions energy: -657.221 where: short stacking energy: -328.358 Base-Backbone interact. energy: -2.287 local terms energy: -440.511896 where: bonds (distance) C4'-P energy: -103.627 bonds (distance) P-C4' energy: -97.696 flat angles C4'-P-C4' energy: -118.714 flat angles P-C4'-P energy: -66.053 tors. eta vs tors. theta energy: -54.421 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: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -648.685649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.685649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.685649 (E_RNA) where: Base-Base interactions energy: -313.077 where: short stacking energy: -215.615 Base-Backbone interact. energy: -0.911 local terms energy: -334.698055 where: bonds (distance) C4'-P energy: -97.301 bonds (distance) P-C4' energy: -117.456 flat angles C4'-P-C4' energy: -94.114 flat angles P-C4'-P energy: -29.180 tors. eta vs tors. theta energy: 3.353 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: 430 Temperature: 0.900000 Total energy: -2415.047245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.047245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.047245 (E_RNA) where: Base-Base interactions energy: -1701.217 where: short stacking energy: -693.541 Base-Backbone interact. energy: -2.672 local terms energy: -711.158110 where: bonds (distance) C4'-P energy: -122.792 bonds (distance) P-C4' energy: -135.493 flat angles C4'-P-C4' energy: -150.721 flat angles P-C4'-P energy: -106.295 tors. eta vs tors. theta energy: -195.857 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: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2279.385632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.385632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.385632 (E_RNA) where: Base-Base interactions energy: -1595.449 where: short stacking energy: -686.129 Base-Backbone interact. energy: 0.840 local terms energy: -684.776335 where: bonds (distance) C4'-P energy: -130.986 bonds (distance) P-C4' energy: -126.721 flat angles C4'-P-C4' energy: -146.181 flat angles P-C4'-P energy: -94.715 tors. eta vs tors. theta energy: -186.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2240.803486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.803486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.803486 (E_RNA) where: Base-Base interactions energy: -1556.060 where: short stacking energy: -650.547 Base-Backbone interact. energy: -1.079 local terms energy: -683.664010 where: bonds (distance) C4'-P energy: -141.748 bonds (distance) P-C4' energy: -130.052 flat angles C4'-P-C4' energy: -151.061 flat angles P-C4'-P energy: -86.536 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: 4, replica: 6 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2150.356268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.356268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.356268 (E_RNA) where: Base-Base interactions energy: -1516.181 where: short stacking energy: -619.093 Base-Backbone interact. energy: -0.226 local terms energy: -633.949790 where: bonds (distance) C4'-P energy: -120.584 bonds (distance) P-C4' energy: -119.940 flat angles C4'-P-C4' energy: -138.345 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -167.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2067.162669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.162669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.162669 (E_RNA) where: Base-Base interactions energy: -1434.758 where: short stacking energy: -619.681 Base-Backbone interact. energy: -2.981 local terms energy: -629.423650 where: bonds (distance) C4'-P energy: -127.630 bonds (distance) P-C4' energy: -111.493 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -76.935 tors. eta vs tors. theta energy: -172.899 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: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1855.805257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.805257 (E_RNA) where: Base-Base interactions energy: -1277.775 where: short stacking energy: -544.706 Base-Backbone interact. energy: -3.257 local terms energy: -574.773772 where: bonds (distance) C4'-P energy: -102.011 bonds (distance) P-C4' energy: -115.129 flat angles C4'-P-C4' energy: -132.167 flat angles P-C4'-P energy: -82.794 tors. eta vs tors. theta energy: -142.673 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: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1690.759436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.759436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.759436 (E_RNA) where: Base-Base interactions energy: -1174.633 where: short stacking energy: -520.670 Base-Backbone interact. energy: -1.615 local terms energy: -514.511741 where: bonds (distance) C4'-P energy: -109.479 bonds (distance) P-C4' energy: -99.215 flat angles C4'-P-C4' energy: -123.478 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -114.879 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: 8, replica: 10 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1484.556973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.556973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.556973 (E_RNA) where: Base-Base interactions energy: -996.040 where: short stacking energy: -432.540 Base-Backbone interact. energy: 4.939 local terms energy: -493.455936 where: bonds (distance) C4'-P energy: -100.775 bonds (distance) P-C4' energy: -102.321 flat angles C4'-P-C4' energy: -112.393 flat angles P-C4'-P energy: -75.829 tors. eta vs tors. theta energy: -102.138 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: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1114.841763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.841763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.841763 (E_RNA) where: Base-Base interactions energy: -686.266 where: short stacking energy: -333.029 Base-Backbone interact. energy: -1.960 local terms energy: -426.615556 where: bonds (distance) C4'-P energy: -100.453 bonds (distance) P-C4' energy: -118.324 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -50.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -657.294727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.294727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.294727 (E_RNA) where: Base-Base interactions energy: -314.995 where: short stacking energy: -205.453 Base-Backbone interact. energy: -0.833 local terms energy: -341.466744 where: bonds (distance) C4'-P energy: -92.800 bonds (distance) P-C4' energy: -100.101 flat angles C4'-P-C4' energy: -102.105 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -2.000 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: 431 Temperature: 0.900000 Total energy: -2419.077353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.077353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.077353 (E_RNA) where: Base-Base interactions energy: -1676.824 where: short stacking energy: -693.494 Base-Backbone interact. energy: -4.506 local terms energy: -737.747505 where: bonds (distance) C4'-P energy: -134.194 bonds (distance) P-C4' energy: -145.440 flat angles C4'-P-C4' energy: -152.521 flat angles P-C4'-P energy: -110.582 tors. eta vs tors. theta energy: -195.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2306.464512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.464512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.464512 (E_RNA) where: Base-Base interactions energy: -1606.189 where: short stacking energy: -686.292 Base-Backbone interact. energy: -3.180 local terms energy: -697.095228 where: bonds (distance) C4'-P energy: -131.174 bonds (distance) P-C4' energy: -130.778 flat angles C4'-P-C4' energy: -138.361 flat angles P-C4'-P energy: -108.337 tors. eta vs tors. theta energy: -188.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2240.437351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.437351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.437351 (E_RNA) where: Base-Base interactions energy: -1562.258 where: short stacking energy: -655.199 Base-Backbone interact. energy: -1.209 local terms energy: -676.969944 where: bonds (distance) C4'-P energy: -119.811 bonds (distance) P-C4' energy: -130.630 flat angles C4'-P-C4' energy: -146.682 flat angles P-C4'-P energy: -99.906 tors. eta vs tors. theta energy: -179.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2154.937142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.937142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.937142 (E_RNA) where: Base-Base interactions energy: -1527.094 where: short stacking energy: -646.280 Base-Backbone interact. energy: -4.432 local terms energy: -623.410952 where: bonds (distance) C4'-P energy: -106.749 bonds (distance) P-C4' energy: -122.288 flat angles C4'-P-C4' energy: -136.432 flat angles P-C4'-P energy: -86.746 tors. eta vs tors. theta energy: -171.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2072.913187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.913187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.913187 (E_RNA) where: Base-Base interactions energy: -1459.940 where: short stacking energy: -606.542 Base-Backbone interact. energy: -1.353 local terms energy: -611.620660 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -124.675 flat angles C4'-P-C4' energy: -120.134 flat angles P-C4'-P energy: -96.551 tors. eta vs tors. theta energy: -158.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1841.873343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.873343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.873343 (E_RNA) where: Base-Base interactions energy: -1252.831 where: short stacking energy: -525.324 Base-Backbone interact. energy: -2.670 local terms energy: -586.372462 where: bonds (distance) C4'-P energy: -116.497 bonds (distance) P-C4' energy: -128.804 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -77.154 tors. eta vs tors. theta energy: -132.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1737.497885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.497885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.497885 (E_RNA) where: Base-Base interactions energy: -1199.344 where: short stacking energy: -519.653 Base-Backbone interact. energy: -2.164 local terms energy: -535.990117 where: bonds (distance) C4'-P energy: -106.900 bonds (distance) P-C4' energy: -117.072 flat angles C4'-P-C4' energy: -122.945 flat angles P-C4'-P energy: -71.520 tors. eta vs tors. theta energy: -117.554 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: 10 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1516.677335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.677335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.677335 (E_RNA) where: Base-Base interactions energy: -988.959 where: short stacking energy: -436.560 Base-Backbone interact. energy: -0.521 local terms energy: -527.197175 where: bonds (distance) C4'-P energy: -100.143 bonds (distance) P-C4' energy: -117.178 flat angles C4'-P-C4' energy: -122.978 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -114.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1076.685981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.685981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.685981 (E_RNA) where: Base-Base interactions energy: -635.862 where: short stacking energy: -292.408 Base-Backbone interact. energy: -3.693 local terms energy: -437.131200 where: bonds (distance) C4'-P energy: -113.569 bonds (distance) P-C4' energy: -113.675 flat angles C4'-P-C4' energy: -103.708 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: -28.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -668.225212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.225212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.225212 (E_RNA) where: Base-Base interactions energy: -317.167 where: short stacking energy: -200.594 Base-Backbone interact. energy: -3.759 local terms energy: -347.299384 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -111.191 flat angles C4'-P-C4' energy: -97.512 flat angles P-C4'-P energy: -46.022 tors. eta vs tors. theta energy: 0.100 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: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2408.269742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.269742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.269742 (E_RNA) where: Base-Base interactions energy: -1690.598 where: short stacking energy: -702.657 Base-Backbone interact. energy: 0.100 local terms energy: -717.771944 where: bonds (distance) C4'-P energy: -138.823 bonds (distance) P-C4' energy: -126.913 flat angles C4'-P-C4' energy: -151.970 flat angles P-C4'-P energy: -111.022 tors. eta vs tors. theta energy: -189.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2314.147001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.147001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.147001 (E_RNA) where: Base-Base interactions energy: -1618.945 where: short stacking energy: -687.064 Base-Backbone interact. energy: -3.642 local terms energy: -691.559472 where: bonds (distance) C4'-P energy: -133.896 bonds (distance) P-C4' energy: -126.114 flat angles C4'-P-C4' energy: -142.932 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -185.889 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: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2241.157895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.157895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.157895 (E_RNA) where: Base-Base interactions energy: -1562.231 where: short stacking energy: -639.254 Base-Backbone interact. energy: -2.665 local terms energy: -676.262746 where: bonds (distance) C4'-P energy: -131.326 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -142.186 flat angles P-C4'-P energy: -99.941 tors. eta vs tors. theta energy: -174.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2108.860214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.860214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.860214 (E_RNA) where: Base-Base interactions energy: -1475.161 where: short stacking energy: -626.563 Base-Backbone interact. energy: -1.845 local terms energy: -631.854184 where: bonds (distance) C4'-P energy: -118.931 bonds (distance) P-C4' energy: -114.410 flat angles C4'-P-C4' energy: -145.711 flat angles P-C4'-P energy: -83.422 tors. eta vs tors. theta energy: -169.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2073.790524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.790524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.790524 (E_RNA) where: Base-Base interactions energy: -1446.188 where: short stacking energy: -592.555 Base-Backbone interact. energy: -0.464 local terms energy: -627.137862 where: bonds (distance) C4'-P energy: -118.963 bonds (distance) P-C4' energy: -128.599 flat angles C4'-P-C4' energy: -135.961 flat angles P-C4'-P energy: -95.787 tors. eta vs tors. theta energy: -147.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1787.349112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.349112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.349112 (E_RNA) where: Base-Base interactions energy: -1232.682 where: short stacking energy: -522.151 Base-Backbone interact. energy: 2.885 local terms energy: -557.552794 where: bonds (distance) C4'-P energy: -109.551 bonds (distance) P-C4' energy: -119.048 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -76.080 tors. eta vs tors. theta energy: -136.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1694.372292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.372292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.372292 (E_RNA) where: Base-Base interactions energy: -1162.166 where: short stacking energy: -505.007 Base-Backbone interact. energy: -3.762 local terms energy: -528.443562 where: bonds (distance) C4'-P energy: -96.518 bonds (distance) P-C4' energy: -98.112 flat angles C4'-P-C4' energy: -135.111 flat angles P-C4'-P energy: -83.850 tors. eta vs tors. theta energy: -114.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1516.735017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.735017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.735017 (E_RNA) where: Base-Base interactions energy: -1012.591 where: short stacking energy: -434.893 Base-Backbone interact. energy: -0.885 local terms energy: -503.258375 where: bonds (distance) C4'-P energy: -107.220 bonds (distance) P-C4' energy: -116.819 flat angles C4'-P-C4' energy: -136.235 flat angles P-C4'-P energy: -54.683 tors. eta vs tors. theta energy: -88.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1104.531011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.531011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.531011 (E_RNA) where: Base-Base interactions energy: -662.491 where: short stacking energy: -306.178 Base-Backbone interact. energy: 0.752 local terms energy: -442.792156 where: bonds (distance) C4'-P energy: -115.037 bonds (distance) P-C4' energy: -107.547 flat angles C4'-P-C4' energy: -98.896 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -50.169 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: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -665.074323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.074323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.074323 (E_RNA) where: Base-Base interactions energy: -287.024 where: short stacking energy: -212.762 Base-Backbone interact. energy: 0.869 local terms energy: -378.919348 where: bonds (distance) C4'-P energy: -113.643 bonds (distance) P-C4' energy: -113.688 flat angles C4'-P-C4' energy: -88.740 flat angles P-C4'-P energy: -53.605 tors. eta vs tors. theta energy: -9.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2418.898211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.898211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.898211 (E_RNA) where: Base-Base interactions energy: -1705.895 where: short stacking energy: -710.020 Base-Backbone interact. energy: -2.412 local terms energy: -710.591571 where: bonds (distance) C4'-P energy: -123.983 bonds (distance) P-C4' energy: -133.346 flat angles C4'-P-C4' energy: -150.315 flat angles P-C4'-P energy: -103.241 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: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2313.141038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.141038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.141038 (E_RNA) where: Base-Base interactions energy: -1610.080 where: short stacking energy: -688.792 Base-Backbone interact. energy: -0.119 local terms energy: -702.941797 where: bonds (distance) C4'-P energy: -126.435 bonds (distance) P-C4' energy: -128.872 flat angles C4'-P-C4' energy: -155.765 flat angles P-C4'-P energy: -98.384 tors. eta vs tors. theta energy: -193.486 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: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2240.538460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.538460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.538460 (E_RNA) where: Base-Base interactions energy: -1576.487 where: short stacking energy: -689.415 Base-Backbone interact. energy: -4.060 local terms energy: -659.991419 where: bonds (distance) C4'-P energy: -119.144 bonds (distance) P-C4' energy: -125.862 flat angles C4'-P-C4' energy: -144.720 flat angles P-C4'-P energy: -88.601 tors. eta vs tors. theta energy: -181.664 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: 4, replica: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2119.347293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.347293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.347293 (E_RNA) where: Base-Base interactions energy: -1501.731 where: short stacking energy: -641.954 Base-Backbone interact. energy: -4.431 local terms energy: -613.185528 where: bonds (distance) C4'-P energy: -109.972 bonds (distance) P-C4' energy: -113.667 flat angles C4'-P-C4' energy: -133.398 flat angles P-C4'-P energy: -83.390 tors. eta vs tors. theta energy: -172.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2042.805950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.805950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.805950 (E_RNA) where: Base-Base interactions energy: -1424.798 where: short stacking energy: -574.439 Base-Backbone interact. energy: 1.242 local terms energy: -619.249823 where: bonds (distance) C4'-P energy: -118.847 bonds (distance) P-C4' energy: -118.231 flat angles C4'-P-C4' energy: -124.350 flat angles P-C4'-P energy: -102.020 tors. eta vs tors. theta energy: -155.801 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: 433 Temperature: 1.150000 Total energy: -1898.479786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.479786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.479786 (E_RNA) where: Base-Base interactions energy: -1296.248 where: short stacking energy: -540.729 Base-Backbone interact. energy: -4.475 local terms energy: -597.756411 where: bonds (distance) C4'-P energy: -121.163 bonds (distance) P-C4' energy: -125.471 flat angles C4'-P-C4' energy: -126.695 flat angles P-C4'-P energy: -84.185 tors. eta vs tors. theta energy: -140.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1760.052815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.052815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.052815 (E_RNA) where: Base-Base interactions energy: -1237.895 where: short stacking energy: -527.378 Base-Backbone interact. energy: -0.792 local terms energy: -521.365945 where: bonds (distance) C4'-P energy: -87.742 bonds (distance) P-C4' energy: -104.187 flat angles C4'-P-C4' energy: -124.890 flat angles P-C4'-P energy: -69.170 tors. eta vs tors. theta energy: -135.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1454.514826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.514826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.514826 (E_RNA) where: Base-Base interactions energy: -974.134 where: short stacking energy: -413.664 Base-Backbone interact. energy: 0.986 local terms energy: -481.366472 where: bonds (distance) C4'-P energy: -111.545 bonds (distance) P-C4' energy: -112.929 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -74.887 tors. eta vs tors. theta energy: -75.823 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: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1017.600283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.600283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.600283 (E_RNA) where: Base-Base interactions energy: -618.518 where: short stacking energy: -304.780 Base-Backbone interact. energy: 3.258 local terms energy: -402.340724 where: bonds (distance) C4'-P energy: -88.198 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -100.851 flat angles P-C4'-P energy: -63.949 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: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -670.154580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.154580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.154580 (E_RNA) where: Base-Base interactions energy: -328.394 where: short stacking energy: -206.343 Base-Backbone interact. energy: -0.070 local terms energy: -341.690295 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -102.923 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -1.911 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: 434 Temperature: 0.900000 Total energy: -2403.442477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.442477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.442477 (E_RNA) where: Base-Base interactions energy: -1673.349 where: short stacking energy: -696.597 Base-Backbone interact. energy: -2.404 local terms energy: -727.689129 where: bonds (distance) C4'-P energy: -146.484 bonds (distance) P-C4' energy: -137.512 flat angles C4'-P-C4' energy: -150.990 flat angles P-C4'-P energy: -105.910 tors. eta vs tors. theta energy: -186.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2322.769681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.769681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.769681 (E_RNA) where: Base-Base interactions energy: -1637.287 where: short stacking energy: -708.894 Base-Backbone interact. energy: -1.987 local terms energy: -683.496592 where: bonds (distance) C4'-P energy: -111.489 bonds (distance) P-C4' energy: -125.708 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -108.329 tors. eta vs tors. theta energy: -196.899 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: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2223.074004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.074004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.074004 (E_RNA) where: Base-Base interactions energy: -1540.445 where: short stacking energy: -662.614 Base-Backbone interact. energy: -1.579 local terms energy: -681.049560 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -132.076 flat angles C4'-P-C4' energy: -128.188 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -182.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2116.133596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.133596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.133596 (E_RNA) where: Base-Base interactions energy: -1500.224 where: short stacking energy: -623.483 Base-Backbone interact. energy: -2.345 local terms energy: -613.564731 where: bonds (distance) C4'-P energy: -123.775 bonds (distance) P-C4' energy: -115.736 flat angles C4'-P-C4' energy: -133.727 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -166.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2046.899206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.899206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.899206 (E_RNA) where: Base-Base interactions energy: -1439.846 where: short stacking energy: -573.548 Base-Backbone interact. energy: -5.310 local terms energy: -601.743517 where: bonds (distance) C4'-P energy: -108.205 bonds (distance) P-C4' energy: -128.464 flat angles C4'-P-C4' energy: -132.494 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -145.285 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1866.966166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.966166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.966166 (E_RNA) where: Base-Base interactions energy: -1299.689 where: short stacking energy: -550.389 Base-Backbone interact. energy: -4.075 local terms energy: -563.202245 where: bonds (distance) C4'-P energy: -128.704 bonds (distance) P-C4' energy: -110.893 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -84.194 tors. eta vs tors. theta energy: -127.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1723.362934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.362934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.362934 (E_RNA) where: Base-Base interactions energy: -1157.882 where: short stacking energy: -492.757 Base-Backbone interact. energy: 0.537 local terms energy: -566.018493 where: bonds (distance) C4'-P energy: -121.589 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -127.307 flat angles P-C4'-P energy: -70.718 tors. eta vs tors. theta energy: -127.410 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: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1508.743378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.743378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.743378 (E_RNA) where: Base-Base interactions energy: -1008.320 where: short stacking energy: -441.969 Base-Backbone interact. energy: 1.948 local terms energy: -502.371574 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -113.770 flat angles P-C4'-P energy: -73.675 tors. eta vs tors. theta energy: -105.251 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: 9, replica: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -996.195998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.195998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.195998 (E_RNA) where: Base-Base interactions energy: -615.630 where: short stacking energy: -293.326 Base-Backbone interact. energy: 2.334 local terms energy: -382.900395 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -117.769 flat angles C4'-P-C4' energy: -84.072 flat angles P-C4'-P energy: -60.711 tors. eta vs tors. theta energy: -31.348 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: 10, replica: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -695.852491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.852491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.852491 (E_RNA) where: Base-Base interactions energy: -308.845 where: short stacking energy: -181.180 Base-Backbone interact. energy: -0.328 local terms energy: -386.680049 where: bonds (distance) C4'-P energy: -103.460 bonds (distance) P-C4' energy: -108.110 flat angles C4'-P-C4' energy: -120.181 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: 9.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2416.334881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.334881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.334881 (E_RNA) where: Base-Base interactions energy: -1700.181 where: short stacking energy: -692.325 Base-Backbone interact. energy: -4.866 local terms energy: -711.288134 where: bonds (distance) C4'-P energy: -130.008 bonds (distance) P-C4' energy: -128.229 flat angles C4'-P-C4' energy: -148.878 flat angles P-C4'-P energy: -103.528 tors. eta vs tors. theta energy: -200.645 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: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2287.824427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.824427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.824427 (E_RNA) where: Base-Base interactions energy: -1623.142 where: short stacking energy: -693.930 Base-Backbone interact. energy: -5.579 local terms energy: -659.103284 where: bonds (distance) C4'-P energy: -124.612 bonds (distance) P-C4' energy: -131.603 flat angles C4'-P-C4' energy: -137.196 flat angles P-C4'-P energy: -83.006 tors. eta vs tors. theta energy: -182.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2251.542005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.542005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.542005 (E_RNA) where: Base-Base interactions energy: -1589.055 where: short stacking energy: -670.209 Base-Backbone interact. energy: -1.438 local terms energy: -661.048945 where: bonds (distance) C4'-P energy: -123.050 bonds (distance) P-C4' energy: -120.087 flat angles C4'-P-C4' energy: -144.608 flat angles P-C4'-P energy: -86.162 tors. eta vs tors. theta energy: -187.142 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: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2147.379941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.379941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.379941 (E_RNA) where: Base-Base interactions energy: -1509.846 where: short stacking energy: -632.338 Base-Backbone interact. energy: -3.019 local terms energy: -634.514578 where: bonds (distance) C4'-P energy: -108.007 bonds (distance) P-C4' energy: -112.115 flat angles C4'-P-C4' energy: -135.740 flat angles P-C4'-P energy: -95.333 tors. eta vs tors. theta energy: -183.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2045.098721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.098721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.098721 (E_RNA) where: Base-Base interactions energy: -1455.733 where: short stacking energy: -591.305 Base-Backbone interact. energy: -3.440 local terms energy: -585.925676 where: bonds (distance) C4'-P energy: -107.235 bonds (distance) P-C4' energy: -117.363 flat angles C4'-P-C4' energy: -139.256 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -138.243 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: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1827.589083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.589083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.589083 (E_RNA) where: Base-Base interactions energy: -1236.903 where: short stacking energy: -527.075 Base-Backbone interact. energy: -6.055 local terms energy: -584.631495 where: bonds (distance) C4'-P energy: -109.711 bonds (distance) P-C4' energy: -130.749 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -76.012 tors. eta vs tors. theta energy: -139.125 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1763.986954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.986954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.986954 (E_RNA) where: Base-Base interactions energy: -1211.129 where: short stacking energy: -510.750 Base-Backbone interact. energy: -2.822 local terms energy: -550.036090 where: bonds (distance) C4'-P energy: -116.194 bonds (distance) P-C4' energy: -131.204 flat angles C4'-P-C4' energy: -113.670 flat angles P-C4'-P energy: -61.035 tors. eta vs tors. theta energy: -127.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1553.103502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.103502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.103502 (E_RNA) where: Base-Base interactions energy: -1040.996 where: short stacking energy: -442.841 Base-Backbone interact. energy: -1.256 local terms energy: -510.851883 where: bonds (distance) C4'-P energy: -105.213 bonds (distance) P-C4' energy: -126.778 flat angles C4'-P-C4' energy: -111.574 flat angles P-C4'-P energy: -68.116 tors. eta vs tors. theta energy: -99.171 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: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1116.396068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.396068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.396068 (E_RNA) where: Base-Base interactions energy: -670.171 where: short stacking energy: -330.345 Base-Backbone interact. energy: 0.455 local terms energy: -446.680402 where: bonds (distance) C4'-P energy: -115.276 bonds (distance) P-C4' energy: -109.429 flat angles C4'-P-C4' energy: -101.928 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -59.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -720.449003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.449003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.449003 (E_RNA) where: Base-Base interactions energy: -370.208 where: short stacking energy: -199.773 Base-Backbone interact. energy: 4.077 local terms energy: -354.317434 where: bonds (distance) C4'-P energy: -101.198 bonds (distance) P-C4' energy: -110.888 flat angles C4'-P-C4' energy: -93.963 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: 16.314 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: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2391.904792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.904792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.904792 (E_RNA) where: Base-Base interactions energy: -1694.093 where: short stacking energy: -680.251 Base-Backbone interact. energy: -0.997 local terms energy: -696.814753 where: bonds (distance) C4'-P energy: -133.583 bonds (distance) P-C4' energy: -125.425 flat angles C4'-P-C4' energy: -147.755 flat angles P-C4'-P energy: -107.060 tors. eta vs tors. theta energy: -182.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2325.547866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.547866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.547866 (E_RNA) where: Base-Base interactions energy: -1641.487 where: short stacking energy: -676.336 Base-Backbone interact. energy: 1.539 local terms energy: -685.599471 where: bonds (distance) C4'-P energy: -133.753 bonds (distance) P-C4' energy: -137.796 flat angles C4'-P-C4' energy: -141.117 flat angles P-C4'-P energy: -96.546 tors. eta vs tors. theta energy: -176.387 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: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2237.290802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.290802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.290802 (E_RNA) where: Base-Base interactions energy: -1565.999 where: short stacking energy: -682.472 Base-Backbone interact. energy: -2.935 local terms energy: -668.357055 where: bonds (distance) C4'-P energy: -126.814 bonds (distance) P-C4' energy: -129.974 flat angles C4'-P-C4' energy: -130.782 flat angles P-C4'-P energy: -100.421 tors. eta vs tors. theta energy: -180.366 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: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2108.640156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.640156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.640156 (E_RNA) where: Base-Base interactions energy: -1477.563 where: short stacking energy: -620.278 Base-Backbone interact. energy: -0.111 local terms energy: -630.966475 where: bonds (distance) C4'-P energy: -112.010 bonds (distance) P-C4' energy: -121.672 flat angles C4'-P-C4' energy: -145.819 flat angles P-C4'-P energy: -85.632 tors. eta vs tors. theta energy: -165.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2075.300234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.300234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.300234 (E_RNA) where: Base-Base interactions energy: -1449.581 where: short stacking energy: -586.794 Base-Backbone interact. energy: -1.289 local terms energy: -624.430288 where: bonds (distance) C4'-P energy: -129.076 bonds (distance) P-C4' energy: -129.805 flat angles C4'-P-C4' energy: -135.997 flat angles P-C4'-P energy: -79.848 tors. eta vs tors. theta energy: -149.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1869.582849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.582849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.582849 (E_RNA) where: Base-Base interactions energy: -1282.830 where: short stacking energy: -536.395 Base-Backbone interact. energy: -2.530 local terms energy: -584.222904 where: bonds (distance) C4'-P energy: -106.528 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -129.762 flat angles P-C4'-P energy: -84.193 tors. eta vs tors. theta energy: -144.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1753.048690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.048690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.048690 (E_RNA) where: Base-Base interactions energy: -1201.448 where: short stacking energy: -491.730 Base-Backbone interact. energy: -1.675 local terms energy: -549.925539 where: bonds (distance) C4'-P energy: -110.121 bonds (distance) P-C4' energy: -108.708 flat angles C4'-P-C4' energy: -120.318 flat angles P-C4'-P energy: -75.528 tors. eta vs tors. theta energy: -135.251 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: 8, replica: 10 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1518.116736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.116736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.116736 (E_RNA) where: Base-Base interactions energy: -1029.883 where: short stacking energy: -440.947 Base-Backbone interact. energy: -0.356 local terms energy: -487.878272 where: bonds (distance) C4'-P energy: -100.454 bonds (distance) P-C4' energy: -112.949 flat angles C4'-P-C4' energy: -102.607 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -104.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1182.243616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.243616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.243616 (E_RNA) where: Base-Base interactions energy: -747.374 where: short stacking energy: -325.147 Base-Backbone interact. energy: -0.587 local terms energy: -434.282870 where: bonds (distance) C4'-P energy: -104.742 bonds (distance) P-C4' energy: -116.889 flat angles C4'-P-C4' energy: -117.809 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -45.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -588.175332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.175332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.175332 (E_RNA) where: Base-Base interactions energy: -232.605 where: short stacking energy: -148.976 Base-Backbone interact. energy: 2.826 local terms energy: -358.396045 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -116.352 flat angles C4'-P-C4' energy: -110.710 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: 33.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2411.955665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.955665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.955665 (E_RNA) where: Base-Base interactions energy: -1705.882 where: short stacking energy: -704.612 Base-Backbone interact. energy: 2.098 local terms energy: -708.171501 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -118.799 flat angles C4'-P-C4' energy: -146.179 flat angles P-C4'-P energy: -109.163 tors. eta vs tors. theta energy: -192.371 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: 8 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2322.975154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.975154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.975154 (E_RNA) where: Base-Base interactions energy: -1639.039 where: short stacking energy: -688.849 Base-Backbone interact. energy: -3.421 local terms energy: -680.515160 where: bonds (distance) C4'-P energy: -117.387 bonds (distance) P-C4' energy: -139.255 flat angles C4'-P-C4' energy: -144.119 flat angles P-C4'-P energy: -98.539 tors. eta vs tors. theta energy: -181.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2221.353200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.353200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.353200 (E_RNA) where: Base-Base interactions energy: -1526.990 where: short stacking energy: -650.641 Base-Backbone interact. energy: -2.743 local terms energy: -691.619831 where: bonds (distance) C4'-P energy: -132.457 bonds (distance) P-C4' energy: -123.225 flat angles C4'-P-C4' energy: -146.555 flat angles P-C4'-P energy: -99.612 tors. eta vs tors. theta energy: -189.771 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: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2087.364604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.364604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.364604 (E_RNA) where: Base-Base interactions energy: -1455.095 where: short stacking energy: -584.466 Base-Backbone interact. energy: 0.875 local terms energy: -633.144729 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -118.206 flat angles C4'-P-C4' energy: -136.720 flat angles P-C4'-P energy: -96.372 tors. eta vs tors. theta energy: -159.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2031.313120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.313120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.313120 (E_RNA) where: Base-Base interactions energy: -1420.809 where: short stacking energy: -575.681 Base-Backbone interact. energy: -6.741 local terms energy: -603.763911 where: bonds (distance) C4'-P energy: -95.698 bonds (distance) P-C4' energy: -128.940 flat angles C4'-P-C4' energy: -129.083 flat angles P-C4'-P energy: -92.265 tors. eta vs tors. theta energy: -157.777 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: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1835.371694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.371694 (E_RNA) where: Base-Base interactions energy: -1272.595 where: short stacking energy: -523.156 Base-Backbone interact. energy: -2.349 local terms energy: -560.427621 where: bonds (distance) C4'-P energy: -121.681 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -131.419 flat angles P-C4'-P energy: -87.943 tors. eta vs tors. theta energy: -123.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1689.880053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.880053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.880053 (E_RNA) where: Base-Base interactions energy: -1162.826 where: short stacking energy: -496.941 Base-Backbone interact. energy: 6.724 local terms energy: -533.778591 where: bonds (distance) C4'-P energy: -113.983 bonds (distance) P-C4' energy: -103.115 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -80.672 tors. eta vs tors. theta energy: -120.017 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: 10 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1508.098119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.098119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.098119 (E_RNA) where: Base-Base interactions energy: -1009.708 where: short stacking energy: -443.202 Base-Backbone interact. energy: 8.028 local terms energy: -506.418180 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -117.527 flat angles C4'-P-C4' energy: -110.098 flat angles P-C4'-P energy: -77.627 tors. eta vs tors. theta energy: -97.178 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: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1213.711943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.711943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.711943 (E_RNA) where: Base-Base interactions energy: -791.234 where: short stacking energy: -360.768 Base-Backbone interact. energy: -1.579 local terms energy: -420.899403 where: bonds (distance) C4'-P energy: -103.611 bonds (distance) P-C4' energy: -108.508 flat angles C4'-P-C4' energy: -93.513 flat angles P-C4'-P energy: -64.667 tors. eta vs tors. theta energy: -50.600 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: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -624.110886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.110886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.110886 (E_RNA) where: Base-Base interactions energy: -279.471 where: short stacking energy: -168.665 Base-Backbone interact. energy: 2.505 local terms energy: -347.145342 where: bonds (distance) C4'-P energy: -105.866 bonds (distance) P-C4' energy: -123.867 flat angles C4'-P-C4' energy: -78.920 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: 11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2372.388942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.388942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.388942 (E_RNA) where: Base-Base interactions energy: -1675.797 where: short stacking energy: -698.723 Base-Backbone interact. energy: -0.870 local terms energy: -695.722025 where: bonds (distance) C4'-P energy: -129.673 bonds (distance) P-C4' energy: -136.645 flat angles C4'-P-C4' energy: -142.253 flat angles P-C4'-P energy: -96.793 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: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2307.517324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.517324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.517324 (E_RNA) where: Base-Base interactions energy: -1620.957 where: short stacking energy: -693.104 Base-Backbone interact. energy: 0.395 local terms energy: -686.955051 where: bonds (distance) C4'-P energy: -126.609 bonds (distance) P-C4' energy: -135.087 flat angles C4'-P-C4' energy: -143.610 flat angles P-C4'-P energy: -88.816 tors. eta vs tors. theta energy: -192.833 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: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2155.039176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.039176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.039176 (E_RNA) where: Base-Base interactions energy: -1508.649 where: short stacking energy: -611.645 Base-Backbone interact. energy: -3.134 local terms energy: -643.255730 where: bonds (distance) C4'-P energy: -115.899 bonds (distance) P-C4' energy: -122.046 flat angles C4'-P-C4' energy: -152.073 flat angles P-C4'-P energy: -77.624 tors. eta vs tors. theta energy: -175.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2156.194156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.194156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.194156 (E_RNA) where: Base-Base interactions energy: -1516.652 where: short stacking energy: -661.942 Base-Backbone interact. energy: -2.425 local terms energy: -637.116627 where: bonds (distance) C4'-P energy: -118.641 bonds (distance) P-C4' energy: -120.857 flat angles C4'-P-C4' energy: -130.731 flat angles P-C4'-P energy: -77.966 tors. eta vs tors. theta energy: -188.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2060.463969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.463969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.463969 (E_RNA) where: Base-Base interactions energy: -1439.435 where: short stacking energy: -599.329 Base-Backbone interact. energy: 0.402 local terms energy: -621.431472 where: bonds (distance) C4'-P energy: -116.010 bonds (distance) P-C4' energy: -122.439 flat angles C4'-P-C4' energy: -139.273 flat angles P-C4'-P energy: -83.104 tors. eta vs tors. theta energy: -160.606 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: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1873.180825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.180825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.180825 (E_RNA) where: Base-Base interactions energy: -1291.722 where: short stacking energy: -553.217 Base-Backbone interact. energy: -1.089 local terms energy: -580.369302 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -120.842 flat angles C4'-P-C4' energy: -136.276 flat angles P-C4'-P energy: -71.707 tors. eta vs tors. theta energy: -133.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1673.088414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.088414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.088414 (E_RNA) where: Base-Base interactions energy: -1156.320 where: short stacking energy: -486.508 Base-Backbone interact. energy: -1.630 local terms energy: -515.138972 where: bonds (distance) C4'-P energy: -106.073 bonds (distance) P-C4' energy: -106.581 flat angles C4'-P-C4' energy: -107.262 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -117.420 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: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1521.880541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.880541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.880541 (E_RNA) where: Base-Base interactions energy: -1006.233 where: short stacking energy: -446.610 Base-Backbone interact. energy: 2.171 local terms energy: -517.818203 where: bonds (distance) C4'-P energy: -113.705 bonds (distance) P-C4' energy: -110.665 flat angles C4'-P-C4' energy: -129.123 flat angles P-C4'-P energy: -66.529 tors. eta vs tors. theta energy: -97.797 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: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1280.126589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.126589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.126589 (E_RNA) where: Base-Base interactions energy: -836.965 where: short stacking energy: -353.103 Base-Backbone interact. energy: 7.513 local terms energy: -450.674249 where: bonds (distance) C4'-P energy: -106.639 bonds (distance) P-C4' energy: -122.715 flat angles C4'-P-C4' energy: -100.179 flat angles P-C4'-P energy: -70.766 tors. eta vs tors. theta energy: -50.375 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: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -722.606565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.606565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.606565 (E_RNA) where: Base-Base interactions energy: -363.777 where: short stacking energy: -207.227 Base-Backbone interact. energy: 0.620 local terms energy: -359.449426 where: bonds (distance) C4'-P energy: -108.379 bonds (distance) P-C4' energy: -110.792 flat angles C4'-P-C4' energy: -97.857 flat angles P-C4'-P energy: -42.762 tors. eta vs tors. theta energy: 0.341 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: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2396.758561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.758561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.758561 (E_RNA) where: Base-Base interactions energy: -1689.825 where: short stacking energy: -706.630 Base-Backbone interact. energy: 5.448 local terms energy: -712.381052 where: bonds (distance) C4'-P energy: -125.124 bonds (distance) P-C4' energy: -144.589 flat angles C4'-P-C4' energy: -152.840 flat angles P-C4'-P energy: -97.527 tors. eta vs tors. theta energy: -192.300 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: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2313.632913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.632913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.632913 (E_RNA) where: Base-Base interactions energy: -1625.810 where: short stacking energy: -711.938 Base-Backbone interact. energy: -3.818 local terms energy: -684.004547 where: bonds (distance) C4'-P energy: -114.984 bonds (distance) P-C4' energy: -136.449 flat angles C4'-P-C4' energy: -147.634 flat angles P-C4'-P energy: -94.468 tors. eta vs tors. theta energy: -190.470 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: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2140.265339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.265339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.265339 (E_RNA) where: Base-Base interactions energy: -1471.983 where: short stacking energy: -602.030 Base-Backbone interact. energy: -2.025 local terms energy: -666.257884 where: bonds (distance) C4'-P energy: -117.140 bonds (distance) P-C4' energy: -129.144 flat angles C4'-P-C4' energy: -152.065 flat angles P-C4'-P energy: -105.256 tors. eta vs tors. theta energy: -162.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2160.679060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.679060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.679060 (E_RNA) where: Base-Base interactions energy: -1534.894 where: short stacking energy: -659.725 Base-Backbone interact. energy: -0.564 local terms energy: -625.220868 where: bonds (distance) C4'-P energy: -131.193 bonds (distance) P-C4' energy: -107.354 flat angles C4'-P-C4' energy: -137.182 flat angles P-C4'-P energy: -78.865 tors. eta vs tors. theta energy: -170.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2016.667081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.667081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.667081 (E_RNA) where: Base-Base interactions energy: -1426.078 where: short stacking energy: -566.025 Base-Backbone interact. energy: -2.341 local terms energy: -588.248615 where: bonds (distance) C4'-P energy: -117.868 bonds (distance) P-C4' energy: -117.811 flat angles C4'-P-C4' energy: -129.500 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -147.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1870.027730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.027730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.027730 (E_RNA) where: Base-Base interactions energy: -1271.732 where: short stacking energy: -546.167 Base-Backbone interact. energy: 1.120 local terms energy: -599.416010 where: bonds (distance) C4'-P energy: -102.837 bonds (distance) P-C4' energy: -125.840 flat angles C4'-P-C4' energy: -140.885 flat angles P-C4'-P energy: -87.715 tors. eta vs tors. theta energy: -142.139 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: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1706.152048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.152048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.152048 (E_RNA) where: Base-Base interactions energy: -1151.643 where: short stacking energy: -486.546 Base-Backbone interact. energy: -2.332 local terms energy: -552.177809 where: bonds (distance) C4'-P energy: -109.982 bonds (distance) P-C4' energy: -111.851 flat angles C4'-P-C4' energy: -124.251 flat angles P-C4'-P energy: -72.961 tors. eta vs tors. theta energy: -133.133 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: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1534.640151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.640151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.640151 (E_RNA) where: Base-Base interactions energy: -1019.573 where: short stacking energy: -437.235 Base-Backbone interact. energy: 0.553 local terms energy: -515.620221 where: bonds (distance) C4'-P energy: -106.081 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -114.695 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: -98.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1301.041281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.041281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.041281 (E_RNA) where: Base-Base interactions energy: -868.280 where: short stacking energy: -381.881 Base-Backbone interact. energy: -3.041 local terms energy: -429.719972 where: bonds (distance) C4'-P energy: -93.250 bonds (distance) P-C4' energy: -103.648 flat angles C4'-P-C4' energy: -109.507 flat angles P-C4'-P energy: -61.250 tors. eta vs tors. theta energy: -62.065 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: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -716.706210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.706210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.706210 (E_RNA) where: Base-Base interactions energy: -352.038 where: short stacking energy: -195.983 Base-Backbone interact. energy: 2.069 local terms energy: -366.737336 where: bonds (distance) C4'-P energy: -109.980 bonds (distance) P-C4' energy: -109.872 flat angles C4'-P-C4' energy: -105.603 flat angles P-C4'-P energy: -49.969 tors. eta vs tors. theta energy: 8.687 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: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2405.654199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.654199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.654199 (E_RNA) where: Base-Base interactions energy: -1697.945 where: short stacking energy: -683.825 Base-Backbone interact. energy: -1.020 local terms energy: -706.689688 where: bonds (distance) C4'-P energy: -142.084 bonds (distance) P-C4' energy: -136.782 flat angles C4'-P-C4' energy: -144.052 flat angles P-C4'-P energy: -103.975 tors. eta vs tors. theta energy: -179.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2313.589101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.589101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.589101 (E_RNA) where: Base-Base interactions energy: -1617.388 where: short stacking energy: -709.959 Base-Backbone interact. energy: -1.082 local terms energy: -695.119468 where: bonds (distance) C4'-P energy: -117.035 bonds (distance) P-C4' energy: -123.687 flat angles C4'-P-C4' energy: -151.277 flat angles P-C4'-P energy: -103.331 tors. eta vs tors. theta energy: -199.789 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: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2188.330855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.330855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.330855 (E_RNA) where: Base-Base interactions energy: -1521.437 where: short stacking energy: -642.064 Base-Backbone interact. energy: 2.453 local terms energy: -669.346533 where: bonds (distance) C4'-P energy: -129.826 bonds (distance) P-C4' energy: -128.620 flat angles C4'-P-C4' energy: -149.267 flat angles P-C4'-P energy: -96.971 tors. eta vs tors. theta energy: -164.662 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: 4, replica: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2086.318631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.318631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.318631 (E_RNA) where: Base-Base interactions energy: -1446.815 where: short stacking energy: -608.638 Base-Backbone interact. energy: 4.227 local terms energy: -643.730736 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -128.173 flat angles C4'-P-C4' energy: -146.717 flat angles P-C4'-P energy: -96.756 tors. eta vs tors. theta energy: -160.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2023.562091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.562091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.562091 (E_RNA) where: Base-Base interactions energy: -1434.772 where: short stacking energy: -592.718 Base-Backbone interact. energy: 4.358 local terms energy: -593.148396 where: bonds (distance) C4'-P energy: -108.081 bonds (distance) P-C4' energy: -105.866 flat angles C4'-P-C4' energy: -139.376 flat angles P-C4'-P energy: -81.571 tors. eta vs tors. theta energy: -158.255 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: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1786.827216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.827216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.827216 (E_RNA) where: Base-Base interactions energy: -1234.922 where: short stacking energy: -501.125 Base-Backbone interact. energy: -3.749 local terms energy: -548.156054 where: bonds (distance) C4'-P energy: -118.439 bonds (distance) P-C4' energy: -117.254 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -86.617 tors. eta vs tors. theta energy: -116.410 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: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1747.366427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.366427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.366427 (E_RNA) where: Base-Base interactions energy: -1202.381 where: short stacking energy: -523.274 Base-Backbone interact. energy: -1.975 local terms energy: -543.009542 where: bonds (distance) C4'-P energy: -112.512 bonds (distance) P-C4' energy: -118.711 flat angles C4'-P-C4' energy: -120.704 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -123.134 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: 440 Temperature: 1.250000 Total energy: -1532.693332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.693332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.693332 (E_RNA) where: Base-Base interactions energy: -1056.551 where: short stacking energy: -459.838 Base-Backbone interact. energy: 3.624 local terms energy: -479.765965 where: bonds (distance) C4'-P energy: -93.030 bonds (distance) P-C4' energy: -88.136 flat angles C4'-P-C4' energy: -136.040 flat angles P-C4'-P energy: -70.634 tors. eta vs tors. theta energy: -91.925 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: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1126.544706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.544706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.544706 (E_RNA) where: Base-Base interactions energy: -726.832 where: short stacking energy: -327.367 Base-Backbone interact. energy: 0.466 local terms energy: -400.179458 where: bonds (distance) C4'-P energy: -102.091 bonds (distance) P-C4' energy: -89.416 flat angles C4'-P-C4' energy: -109.636 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -46.339 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: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -700.169636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.169636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.169636 (E_RNA) where: Base-Base interactions energy: -323.018 where: short stacking energy: -223.566 Base-Backbone interact. energy: 0.638 local terms energy: -377.789312 where: bonds (distance) C4'-P energy: -102.540 bonds (distance) P-C4' energy: -117.075 flat angles C4'-P-C4' energy: -84.523 flat angles P-C4'-P energy: -70.357 tors. eta vs tors. theta energy: -3.294 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: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2408.766137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.766137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.766137 (E_RNA) where: Base-Base interactions energy: -1699.572 where: short stacking energy: -695.373 Base-Backbone interact. energy: 0.323 local terms energy: -709.517127 where: bonds (distance) C4'-P energy: -135.107 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -145.903 flat angles P-C4'-P energy: -107.739 tors. eta vs tors. theta energy: -181.933 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2312.586292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.586292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.586292 (E_RNA) where: Base-Base interactions energy: -1638.301 where: short stacking energy: -697.724 Base-Backbone interact. energy: -1.989 local terms energy: -672.297118 where: bonds (distance) C4'-P energy: -114.519 bonds (distance) P-C4' energy: -129.492 flat angles C4'-P-C4' energy: -134.284 flat angles P-C4'-P energy: -96.168 tors. eta vs tors. theta energy: -197.834 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: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2224.439706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.439706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.439706 (E_RNA) where: Base-Base interactions energy: -1556.260 where: short stacking energy: -657.230 Base-Backbone interact. energy: -4.854 local terms energy: -663.325987 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -119.432 flat angles C4'-P-C4' energy: -146.615 flat angles P-C4'-P energy: -95.653 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: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2071.967192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.967192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.967192 (E_RNA) where: Base-Base interactions energy: -1441.774 where: short stacking energy: -625.559 Base-Backbone interact. energy: -5.474 local terms energy: -624.718466 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -112.926 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: -166.322 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: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2097.976773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.976773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.976773 (E_RNA) where: Base-Base interactions energy: -1472.705 where: short stacking energy: -614.920 Base-Backbone interact. energy: -2.465 local terms energy: -622.806595 where: bonds (distance) C4'-P energy: -117.977 bonds (distance) P-C4' energy: -121.243 flat angles C4'-P-C4' energy: -141.213 flat angles P-C4'-P energy: -80.636 tors. eta vs tors. theta energy: -161.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1772.874093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.874093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.874093 (E_RNA) where: Base-Base interactions energy: -1223.416 where: short stacking energy: -536.093 Base-Backbone interact. energy: -2.139 local terms energy: -547.318775 where: bonds (distance) C4'-P energy: -112.791 bonds (distance) P-C4' energy: -105.676 flat angles C4'-P-C4' energy: -130.594 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -131.381 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: 441 Temperature: 1.200000 Total energy: -1735.936953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.936953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.936953 (E_RNA) where: Base-Base interactions energy: -1189.065 where: short stacking energy: -530.537 Base-Backbone interact. energy: 0.605 local terms energy: -547.476809 where: bonds (distance) C4'-P energy: -96.240 bonds (distance) P-C4' energy: -109.988 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -77.927 tors. eta vs tors. theta energy: -149.715 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: 10 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1501.283221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.283221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.283221 (E_RNA) where: Base-Base interactions energy: -1004.831 where: short stacking energy: -431.823 Base-Backbone interact. energy: -3.048 local terms energy: -493.404509 where: bonds (distance) C4'-P energy: -106.977 bonds (distance) P-C4' energy: -122.294 flat angles C4'-P-C4' energy: -110.260 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -94.290 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: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1196.472065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.472065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.472065 (E_RNA) where: Base-Base interactions energy: -766.078 where: short stacking energy: -352.485 Base-Backbone interact. energy: -2.518 local terms energy: -427.876404 where: bonds (distance) C4'-P energy: -107.513 bonds (distance) P-C4' energy: -113.246 flat angles C4'-P-C4' energy: -90.756 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -69.927 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: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -698.097883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.097883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.097883 (E_RNA) where: Base-Base interactions energy: -319.213 where: short stacking energy: -209.729 Base-Backbone interact. energy: 3.685 local terms energy: -382.569910 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -104.038 flat angles C4'-P-C4' energy: -94.183 flat angles P-C4'-P energy: -52.446 tors. eta vs tors. theta energy: -18.755 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: 5 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2415.838369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.838369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.838369 (E_RNA) where: Base-Base interactions energy: -1718.894 where: short stacking energy: -709.148 Base-Backbone interact. energy: -2.691 local terms energy: -694.253339 where: bonds (distance) C4'-P energy: -124.198 bonds (distance) P-C4' energy: -125.705 flat angles C4'-P-C4' energy: -151.950 flat angles P-C4'-P energy: -105.297 tors. eta vs tors. theta energy: -187.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2325.215569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.215569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.215569 (E_RNA) where: Base-Base interactions energy: -1623.599 where: short stacking energy: -695.805 Base-Backbone interact. energy: -5.319 local terms energy: -696.296953 where: bonds (distance) C4'-P energy: -123.098 bonds (distance) P-C4' energy: -133.280 flat angles C4'-P-C4' energy: -154.865 flat angles P-C4'-P energy: -95.538 tors. eta vs tors. theta energy: -189.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2192.446627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.446627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.446627 (E_RNA) where: Base-Base interactions energy: -1535.767 where: short stacking energy: -628.202 Base-Backbone interact. energy: -2.939 local terms energy: -653.741119 where: bonds (distance) C4'-P energy: -130.780 bonds (distance) P-C4' energy: -120.380 flat angles C4'-P-C4' energy: -138.838 flat angles P-C4'-P energy: -100.802 tors. eta vs tors. theta energy: -162.941 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: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2127.428260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.428260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.428260 (E_RNA) where: Base-Base interactions energy: -1449.331 where: short stacking energy: -623.908 Base-Backbone interact. energy: -4.180 local terms energy: -673.917297 where: bonds (distance) C4'-P energy: -120.371 bonds (distance) P-C4' energy: -139.928 flat angles C4'-P-C4' energy: -145.899 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -175.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2047.251448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.251448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.251448 (E_RNA) where: Base-Base interactions energy: -1438.578 where: short stacking energy: -586.565 Base-Backbone interact. energy: 9.853 local terms energy: -618.526864 where: bonds (distance) C4'-P energy: -109.544 bonds (distance) P-C4' energy: -129.239 flat angles C4'-P-C4' energy: -141.563 flat angles P-C4'-P energy: -92.418 tors. eta vs tors. theta energy: -145.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1783.206028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.206028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.206028 (E_RNA) where: Base-Base interactions energy: -1213.145 where: short stacking energy: -510.733 Base-Backbone interact. energy: -3.447 local terms energy: -566.614312 where: bonds (distance) C4'-P energy: -103.358 bonds (distance) P-C4' energy: -120.588 flat angles C4'-P-C4' energy: -129.558 flat angles P-C4'-P energy: -86.199 tors. eta vs tors. theta energy: -126.912 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: 3 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1711.696498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.696498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.696498 (E_RNA) where: Base-Base interactions energy: -1132.072 where: short stacking energy: -503.541 Base-Backbone interact. energy: -2.616 local terms energy: -577.008251 where: bonds (distance) C4'-P energy: -109.886 bonds (distance) P-C4' energy: -137.570 flat angles C4'-P-C4' energy: -124.464 flat angles P-C4'-P energy: -67.761 tors. eta vs tors. theta energy: -137.327 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: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1484.930593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.930593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.930593 (E_RNA) where: Base-Base interactions energy: -1006.500 where: short stacking energy: -455.271 Base-Backbone interact. energy: -1.799 local terms energy: -476.630920 where: bonds (distance) C4'-P energy: -77.752 bonds (distance) P-C4' energy: -93.531 flat angles C4'-P-C4' energy: -131.779 flat angles P-C4'-P energy: -73.925 tors. eta vs tors. theta energy: -99.645 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: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1249.186228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.186228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.186228 (E_RNA) where: Base-Base interactions energy: -792.216 where: short stacking energy: -360.530 Base-Backbone interact. energy: 1.082 local terms energy: -458.051260 where: bonds (distance) C4'-P energy: -104.042 bonds (distance) P-C4' energy: -116.144 flat angles C4'-P-C4' energy: -115.935 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: -59.654 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: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -719.763415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.763415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.763415 (E_RNA) where: Base-Base interactions energy: -361.426 where: short stacking energy: -206.891 Base-Backbone interact. energy: 2.792 local terms energy: -361.129232 where: bonds (distance) C4'-P energy: -104.443 bonds (distance) P-C4' energy: -115.220 flat angles C4'-P-C4' energy: -92.738 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2421.700761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.700761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.700761 (E_RNA) where: Base-Base interactions energy: -1709.973 where: short stacking energy: -702.324 Base-Backbone interact. energy: 0.558 local terms energy: -712.285707 where: bonds (distance) C4'-P energy: -127.693 bonds (distance) P-C4' energy: -147.251 flat angles C4'-P-C4' energy: -144.489 flat angles P-C4'-P energy: -96.487 tors. eta vs tors. theta energy: -196.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2319.373477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.373477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.373477 (E_RNA) where: Base-Base interactions energy: -1616.873 where: short stacking energy: -692.974 Base-Backbone interact. energy: -4.497 local terms energy: -698.003819 where: bonds (distance) C4'-P energy: -128.446 bonds (distance) P-C4' energy: -128.393 flat angles C4'-P-C4' energy: -152.566 flat angles P-C4'-P energy: -98.994 tors. eta vs tors. theta energy: -189.604 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: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2197.516596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.516596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.516596 (E_RNA) where: Base-Base interactions energy: -1538.391 where: short stacking energy: -640.837 Base-Backbone interact. energy: -0.364 local terms energy: -658.761657 where: bonds (distance) C4'-P energy: -133.135 bonds (distance) P-C4' energy: -124.185 flat angles C4'-P-C4' energy: -141.703 flat angles P-C4'-P energy: -96.699 tors. eta vs tors. theta energy: -163.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2123.194825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.194825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.194825 (E_RNA) where: Base-Base interactions energy: -1468.631 where: short stacking energy: -641.774 Base-Backbone interact. energy: 1.382 local terms energy: -655.946218 where: bonds (distance) C4'-P energy: -131.712 bonds (distance) P-C4' energy: -111.409 flat angles C4'-P-C4' energy: -136.595 flat angles P-C4'-P energy: -98.057 tors. eta vs tors. theta energy: -178.173 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: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2053.536855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.536855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.536855 (E_RNA) where: Base-Base interactions energy: -1435.629 where: short stacking energy: -591.529 Base-Backbone interact. energy: -5.513 local terms energy: -612.394729 where: bonds (distance) C4'-P energy: -120.012 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -126.513 flat angles P-C4'-P energy: -85.777 tors. eta vs tors. theta energy: -150.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1776.825127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.825127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.825127 (E_RNA) where: Base-Base interactions energy: -1181.027 where: short stacking energy: -525.645 Base-Backbone interact. energy: -0.011 local terms energy: -595.786919 where: bonds (distance) C4'-P energy: -118.718 bonds (distance) P-C4' energy: -122.649 flat angles C4'-P-C4' energy: -125.273 flat angles P-C4'-P energy: -93.019 tors. eta vs tors. theta energy: -136.128 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: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1657.445721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.445721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.445721 (E_RNA) where: Base-Base interactions energy: -1150.062 where: short stacking energy: -509.954 Base-Backbone interact. energy: 5.452 local terms energy: -512.835428 where: bonds (distance) C4'-P energy: -93.991 bonds (distance) P-C4' energy: -94.256 flat angles C4'-P-C4' energy: -121.873 flat angles P-C4'-P energy: -74.215 tors. eta vs tors. theta energy: -128.501 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: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1523.910929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.910929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.910929 (E_RNA) where: Base-Base interactions energy: -1006.216 where: short stacking energy: -430.907 Base-Backbone interact. energy: -1.138 local terms energy: -516.556685 where: bonds (distance) C4'-P energy: -105.861 bonds (distance) P-C4' energy: -115.514 flat angles C4'-P-C4' energy: -120.563 flat angles P-C4'-P energy: -67.229 tors. eta vs tors. theta energy: -107.390 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1251.861553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.861553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.861553 (E_RNA) where: Base-Base interactions energy: -802.056 where: short stacking energy: -338.605 Base-Backbone interact. energy: -0.464 local terms energy: -449.342111 where: bonds (distance) C4'-P energy: -96.041 bonds (distance) P-C4' energy: -118.520 flat angles C4'-P-C4' energy: -107.982 flat angles P-C4'-P energy: -55.484 tors. eta vs tors. theta energy: -71.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -795.775207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.775207 (E_RNA) where: Base-Base interactions energy: -399.738 where: short stacking energy: -246.711 Base-Backbone interact. energy: 2.987 local terms energy: -399.023731 where: bonds (distance) C4'-P energy: -106.862 bonds (distance) P-C4' energy: -118.936 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -46.672 tors. eta vs tors. theta energy: -21.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2424.832671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.832671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.832671 (E_RNA) where: Base-Base interactions energy: -1718.573 where: short stacking energy: -684.949 Base-Backbone interact. energy: -1.765 local terms energy: -704.494689 where: bonds (distance) C4'-P energy: -120.341 bonds (distance) P-C4' energy: -132.691 flat angles C4'-P-C4' energy: -158.707 flat angles P-C4'-P energy: -105.309 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: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2342.157081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.157081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.157081 (E_RNA) where: Base-Base interactions energy: -1655.738 where: short stacking energy: -671.978 Base-Backbone interact. energy: -0.026 local terms energy: -686.393319 where: bonds (distance) C4'-P energy: -112.607 bonds (distance) P-C4' energy: -136.639 flat angles C4'-P-C4' energy: -161.389 flat angles P-C4'-P energy: -90.044 tors. eta vs tors. theta energy: -185.714 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: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2199.294864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.294864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.294864 (E_RNA) where: Base-Base interactions energy: -1530.611 where: short stacking energy: -664.586 Base-Backbone interact. energy: -4.415 local terms energy: -664.269386 where: bonds (distance) C4'-P energy: -118.578 bonds (distance) P-C4' energy: -133.064 flat angles C4'-P-C4' energy: -135.510 flat angles P-C4'-P energy: -97.885 tors. eta vs tors. theta energy: -179.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2105.131675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.131675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.131675 (E_RNA) where: Base-Base interactions energy: -1474.734 where: short stacking energy: -617.510 Base-Backbone interact. energy: 0.542 local terms energy: -630.939776 where: bonds (distance) C4'-P energy: -110.424 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -131.750 flat angles P-C4'-P energy: -98.324 tors. eta vs tors. theta energy: -170.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2039.316443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.316443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.316443 (E_RNA) where: Base-Base interactions energy: -1441.432 where: short stacking energy: -585.837 Base-Backbone interact. energy: -0.001 local terms energy: -597.883515 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -123.618 flat angles P-C4'-P energy: -79.015 tors. eta vs tors. theta energy: -152.760 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: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1752.303526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.303526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.303526 (E_RNA) where: Base-Base interactions energy: -1155.163 where: short stacking energy: -497.448 Base-Backbone interact. energy: -2.261 local terms energy: -594.879655 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -118.274 flat angles C4'-P-C4' energy: -131.711 flat angles P-C4'-P energy: -90.623 tors. eta vs tors. theta energy: -148.321 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: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1686.043602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.043602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.043602 (E_RNA) where: Base-Base interactions energy: -1170.307 where: short stacking energy: -486.354 Base-Backbone interact. energy: -1.591 local terms energy: -514.144937 where: bonds (distance) C4'-P energy: -86.979 bonds (distance) P-C4' energy: -105.358 flat angles C4'-P-C4' energy: -116.236 flat angles P-C4'-P energy: -87.772 tors. eta vs tors. theta energy: -117.800 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: 8, replica: 10 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1484.992663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.992663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.992663 (E_RNA) where: Base-Base interactions energy: -1006.660 where: short stacking energy: -434.064 Base-Backbone interact. energy: -1.143 local terms energy: -477.189469 where: bonds (distance) C4'-P energy: -109.354 bonds (distance) P-C4' energy: -100.930 flat angles C4'-P-C4' energy: -107.735 flat angles P-C4'-P energy: -71.282 tors. eta vs tors. theta energy: -87.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1183.961781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.961781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.961781 (E_RNA) where: Base-Base interactions energy: -759.313 where: short stacking energy: -340.278 Base-Backbone interact. energy: -2.915 local terms energy: -421.734137 where: bonds (distance) C4'-P energy: -101.947 bonds (distance) P-C4' energy: -107.733 flat angles C4'-P-C4' energy: -92.248 flat angles P-C4'-P energy: -59.229 tors. eta vs tors. theta energy: -60.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -762.720356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.720356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.720356 (E_RNA) where: Base-Base interactions energy: -410.595 where: short stacking energy: -241.640 Base-Backbone interact. energy: -1.190 local terms energy: -350.935404 where: bonds (distance) C4'-P energy: -95.055 bonds (distance) P-C4' energy: -111.922 flat angles C4'-P-C4' energy: -85.103 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2419.383826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.383826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.383826 (E_RNA) where: Base-Base interactions energy: -1715.776 where: short stacking energy: -700.964 Base-Backbone interact. energy: -2.445 local terms energy: -701.162946 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -132.691 flat angles C4'-P-C4' energy: -139.034 flat angles P-C4'-P energy: -100.981 tors. eta vs tors. theta energy: -193.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2354.776307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.776307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.776307 (E_RNA) where: Base-Base interactions energy: -1647.864 where: short stacking energy: -687.928 Base-Backbone interact. energy: -5.241 local terms energy: -701.671136 where: bonds (distance) C4'-P energy: -128.501 bonds (distance) P-C4' energy: -125.617 flat angles C4'-P-C4' energy: -147.339 flat angles P-C4'-P energy: -106.007 tors. eta vs tors. theta energy: -194.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2192.784447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.784447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.784447 (E_RNA) where: Base-Base interactions energy: -1532.798 where: short stacking energy: -651.695 Base-Backbone interact. energy: -1.527 local terms energy: -658.459676 where: bonds (distance) C4'-P energy: -120.051 bonds (distance) P-C4' energy: -124.533 flat angles C4'-P-C4' energy: -147.983 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -173.468 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: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2131.530127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.530127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.530127 (E_RNA) where: Base-Base interactions energy: -1475.364 where: short stacking energy: -628.556 Base-Backbone interact. energy: -3.628 local terms energy: -652.537807 where: bonds (distance) C4'-P energy: -112.203 bonds (distance) P-C4' energy: -112.295 flat angles C4'-P-C4' energy: -141.962 flat angles P-C4'-P energy: -97.174 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: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2056.680489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.680489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.680489 (E_RNA) where: Base-Base interactions energy: -1446.666 where: short stacking energy: -589.276 Base-Backbone interact. energy: -6.476 local terms energy: -603.539076 where: bonds (distance) C4'-P energy: -125.651 bonds (distance) P-C4' energy: -114.455 flat angles C4'-P-C4' energy: -124.217 flat angles P-C4'-P energy: -88.868 tors. eta vs tors. theta energy: -150.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1807.557446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.557446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.557446 (E_RNA) where: Base-Base interactions energy: -1194.144 where: short stacking energy: -562.885 Base-Backbone interact. energy: -5.517 local terms energy: -607.895687 where: bonds (distance) C4'-P energy: -123.122 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -123.511 flat angles P-C4'-P energy: -91.979 tors. eta vs tors. theta energy: -157.688 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: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1699.927876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.927876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.927876 (E_RNA) where: Base-Base interactions energy: -1179.952 where: short stacking energy: -472.148 Base-Backbone interact. energy: 3.031 local terms energy: -523.007284 where: bonds (distance) C4'-P energy: -120.978 bonds (distance) P-C4' energy: -120.499 flat angles C4'-P-C4' energy: -107.947 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -107.626 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: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1503.099030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.099030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.099030 (E_RNA) where: Base-Base interactions energy: -1017.875 where: short stacking energy: -453.136 Base-Backbone interact. energy: 1.439 local terms energy: -486.663001 where: bonds (distance) C4'-P energy: -86.394 bonds (distance) P-C4' energy: -128.920 flat angles C4'-P-C4' energy: -99.743 flat angles P-C4'-P energy: -68.352 tors. eta vs tors. theta energy: -103.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1227.626085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.626085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.626085 (E_RNA) where: Base-Base interactions energy: -801.787 where: short stacking energy: -360.577 Base-Backbone interact. energy: 0.749 local terms energy: -426.587598 where: bonds (distance) C4'-P energy: -110.789 bonds (distance) P-C4' energy: -103.314 flat angles C4'-P-C4' energy: -113.555 flat angles P-C4'-P energy: -54.679 tors. eta vs tors. theta energy: -44.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -748.440965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.440965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.440965 (E_RNA) where: Base-Base interactions energy: -384.410 where: short stacking energy: -207.055 Base-Backbone interact. energy: 2.505 local terms energy: -366.536244 where: bonds (distance) C4'-P energy: -122.230 bonds (distance) P-C4' energy: -119.831 flat angles C4'-P-C4' energy: -91.028 flat angles P-C4'-P energy: -42.779 tors. eta vs tors. theta energy: 9.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2392.895298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.895298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.895298 (E_RNA) where: Base-Base interactions energy: -1671.925 where: short stacking energy: -698.159 Base-Backbone interact. energy: -0.233 local terms energy: -720.736482 where: bonds (distance) C4'-P energy: -144.288 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -142.039 flat angles P-C4'-P energy: -102.484 tors. eta vs tors. theta energy: -192.679 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: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2339.223972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.223972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.223972 (E_RNA) where: Base-Base interactions energy: -1617.257 where: short stacking energy: -695.802 Base-Backbone interact. energy: -2.401 local terms energy: -719.566011 where: bonds (distance) C4'-P energy: -127.206 bonds (distance) P-C4' energy: -142.737 flat angles C4'-P-C4' energy: -149.307 flat angles P-C4'-P energy: -108.867 tors. eta vs tors. theta energy: -191.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2192.225682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.225682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.225682 (E_RNA) where: Base-Base interactions energy: -1529.207 where: short stacking energy: -651.823 Base-Backbone interact. energy: -3.489 local terms energy: -659.530014 where: bonds (distance) C4'-P energy: -121.340 bonds (distance) P-C4' energy: -128.540 flat angles C4'-P-C4' energy: -137.863 flat angles P-C4'-P energy: -94.776 tors. eta vs tors. theta energy: -177.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2139.689547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.689547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.689547 (E_RNA) where: Base-Base interactions energy: -1510.449 where: short stacking energy: -657.091 Base-Backbone interact. energy: 0.866 local terms energy: -630.106390 where: bonds (distance) C4'-P energy: -110.567 bonds (distance) P-C4' energy: -106.896 flat angles C4'-P-C4' energy: -130.341 flat angles P-C4'-P energy: -101.934 tors. eta vs tors. theta energy: -180.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2013.358812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.358812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.358812 (E_RNA) where: Base-Base interactions energy: -1398.052 where: short stacking energy: -576.033 Base-Backbone interact. energy: -4.016 local terms energy: -611.290450 where: bonds (distance) C4'-P energy: -127.255 bonds (distance) P-C4' energy: -104.090 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -92.378 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: 6, replica: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1799.795064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.795064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.795064 (E_RNA) where: Base-Base interactions energy: -1231.503 where: short stacking energy: -546.794 Base-Backbone interact. energy: -1.926 local terms energy: -566.366053 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -133.311 flat angles P-C4'-P energy: -87.583 tors. eta vs tors. theta energy: -146.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1760.020013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.020013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.020013 (E_RNA) where: Base-Base interactions energy: -1222.746 where: short stacking energy: -521.003 Base-Backbone interact. energy: -2.426 local terms energy: -534.847900 where: bonds (distance) C4'-P energy: -95.683 bonds (distance) P-C4' energy: -118.380 flat angles C4'-P-C4' energy: -119.882 flat angles P-C4'-P energy: -77.672 tors. eta vs tors. theta energy: -123.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1524.858100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.858100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.858100 (E_RNA) where: Base-Base interactions energy: -1030.133 where: short stacking energy: -449.022 Base-Backbone interact. energy: 0.393 local terms energy: -495.117887 where: bonds (distance) C4'-P energy: -117.957 bonds (distance) P-C4' energy: -95.796 flat angles C4'-P-C4' energy: -122.850 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -84.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1160.247200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.247200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.247200 (E_RNA) where: Base-Base interactions energy: -764.334 where: short stacking energy: -316.589 Base-Backbone interact. energy: 2.858 local terms energy: -398.771547 where: bonds (distance) C4'-P energy: -97.054 bonds (distance) P-C4' energy: -91.273 flat angles C4'-P-C4' energy: -121.377 flat angles P-C4'-P energy: -45.533 tors. eta vs tors. theta energy: -43.534 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: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -809.669499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.669499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.669499 (E_RNA) where: Base-Base interactions energy: -433.305 where: short stacking energy: -194.946 Base-Backbone interact. energy: -2.323 local terms energy: -374.041050 where: bonds (distance) C4'-P energy: -123.613 bonds (distance) P-C4' energy: -121.299 flat angles C4'-P-C4' energy: -83.518 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: 0.339 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: 1, replica: 5 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2428.287485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.287485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.287485 (E_RNA) where: Base-Base interactions energy: -1704.879 where: short stacking energy: -723.644 Base-Backbone interact. energy: -1.683 local terms energy: -721.725725 where: bonds (distance) C4'-P energy: -133.936 bonds (distance) P-C4' energy: -138.746 flat angles C4'-P-C4' energy: -153.616 flat angles P-C4'-P energy: -99.482 tors. eta vs tors. theta energy: -195.945 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: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2342.560410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.560410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.560410 (E_RNA) where: Base-Base interactions energy: -1657.808 where: short stacking energy: -716.991 Base-Backbone interact. energy: -1.981 local terms energy: -682.771735 where: bonds (distance) C4'-P energy: -115.034 bonds (distance) P-C4' energy: -125.129 flat angles C4'-P-C4' energy: -148.032 flat angles P-C4'-P energy: -95.619 tors. eta vs tors. theta energy: -198.957 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: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2210.697292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.697292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.697292 (E_RNA) where: Base-Base interactions energy: -1544.701 where: short stacking energy: -661.130 Base-Backbone interact. energy: -2.726 local terms energy: -663.270156 where: bonds (distance) C4'-P energy: -112.143 bonds (distance) P-C4' energy: -126.772 flat angles C4'-P-C4' energy: -145.387 flat angles P-C4'-P energy: -96.166 tors. eta vs tors. theta energy: -182.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2133.787340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.787340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.787340 (E_RNA) where: Base-Base interactions energy: -1501.925 where: short stacking energy: -636.716 Base-Backbone interact. energy: -2.528 local terms energy: -629.333933 where: bonds (distance) C4'-P energy: -116.180 bonds (distance) P-C4' energy: -108.877 flat angles C4'-P-C4' energy: -136.045 flat angles P-C4'-P energy: -81.839 tors. eta vs tors. theta energy: -186.393 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2032.576732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.576732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.576732 (E_RNA) where: Base-Base interactions energy: -1419.951 where: short stacking energy: -587.572 Base-Backbone interact. energy: 1.079 local terms energy: -613.704609 where: bonds (distance) C4'-P energy: -106.770 bonds (distance) P-C4' energy: -141.362 flat angles C4'-P-C4' energy: -136.000 flat angles P-C4'-P energy: -80.920 tors. eta vs tors. theta energy: -148.652 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1812.807702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.807702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.807702 (E_RNA) where: Base-Base interactions energy: -1229.032 where: short stacking energy: -560.899 Base-Backbone interact. energy: 0.901 local terms energy: -584.676415 where: bonds (distance) C4'-P energy: -96.179 bonds (distance) P-C4' energy: -125.286 flat angles C4'-P-C4' energy: -126.978 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -157.920 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1571.409412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.409412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.409412 (E_RNA) where: Base-Base interactions energy: -1080.265 where: short stacking energy: -462.037 Base-Backbone interact. energy: 0.973 local terms energy: -492.117593 where: bonds (distance) C4'-P energy: -86.671 bonds (distance) P-C4' energy: -121.008 flat angles C4'-P-C4' energy: -116.613 flat angles P-C4'-P energy: -65.107 tors. eta vs tors. theta energy: -102.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1530.724265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.724265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.724265 (E_RNA) where: Base-Base interactions energy: -1059.277 where: short stacking energy: -457.728 Base-Backbone interact. energy: -1.795 local terms energy: -469.652462 where: bonds (distance) C4'-P energy: -89.528 bonds (distance) P-C4' energy: -96.273 flat angles C4'-P-C4' energy: -113.074 flat angles P-C4'-P energy: -83.025 tors. eta vs tors. theta energy: -87.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1286.284044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.284044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.284044 (E_RNA) where: Base-Base interactions energy: -814.522 where: short stacking energy: -361.975 Base-Backbone interact. energy: -2.514 local terms energy: -469.247983 where: bonds (distance) C4'-P energy: -115.121 bonds (distance) P-C4' energy: -107.957 flat angles C4'-P-C4' energy: -121.272 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -61.471 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: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -813.490973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.490973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.490973 (E_RNA) where: Base-Base interactions energy: -472.512 where: short stacking energy: -245.634 Base-Backbone interact. energy: -1.443 local terms energy: -339.536222 where: bonds (distance) C4'-P energy: -77.654 bonds (distance) P-C4' energy: -107.926 flat angles C4'-P-C4' energy: -92.185 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: 6.326 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: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2436.149550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.149550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.149550 (E_RNA) where: Base-Base interactions energy: -1727.174 where: short stacking energy: -713.110 Base-Backbone interact. energy: -1.601 local terms energy: -707.373857 where: bonds (distance) C4'-P energy: -129.113 bonds (distance) P-C4' energy: -126.364 flat angles C4'-P-C4' energy: -150.367 flat angles P-C4'-P energy: -104.120 tors. eta vs tors. theta energy: -197.409 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2344.346516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.346516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.346516 (E_RNA) where: Base-Base interactions energy: -1662.800 where: short stacking energy: -714.130 Base-Backbone interact. energy: -2.306 local terms energy: -679.241352 where: bonds (distance) C4'-P energy: -122.314 bonds (distance) P-C4' energy: -134.916 flat angles C4'-P-C4' energy: -134.686 flat angles P-C4'-P energy: -96.747 tors. eta vs tors. theta energy: -190.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2239.831749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.831749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.831749 (E_RNA) where: Base-Base interactions energy: -1563.746 where: short stacking energy: -658.067 Base-Backbone interact. energy: -1.945 local terms energy: -674.140673 where: bonds (distance) C4'-P energy: -120.689 bonds (distance) P-C4' energy: -134.043 flat angles C4'-P-C4' energy: -154.762 flat angles P-C4'-P energy: -87.268 tors. eta vs tors. theta energy: -177.379 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: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2134.401663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.401663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.401663 (E_RNA) where: Base-Base interactions energy: -1452.638 where: short stacking energy: -603.218 Base-Backbone interact. energy: 6.038 local terms energy: -687.801931 where: bonds (distance) C4'-P energy: -141.002 bonds (distance) P-C4' energy: -134.703 flat angles C4'-P-C4' energy: -141.956 flat angles P-C4'-P energy: -93.738 tors. eta vs tors. theta energy: -176.403 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: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2085.572063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.572063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.572063 (E_RNA) where: Base-Base interactions energy: -1453.195 where: short stacking energy: -621.003 Base-Backbone interact. energy: -2.395 local terms energy: -629.981775 where: bonds (distance) C4'-P energy: -121.248 bonds (distance) P-C4' energy: -123.630 flat angles C4'-P-C4' energy: -139.310 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -154.435 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: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1817.187231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.187231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.187231 (E_RNA) where: Base-Base interactions energy: -1244.354 where: short stacking energy: -554.904 Base-Backbone interact. energy: 2.645 local terms energy: -575.477350 where: bonds (distance) C4'-P energy: -119.794 bonds (distance) P-C4' energy: -107.446 flat angles C4'-P-C4' energy: -119.783 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: -144.870 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: 448 Temperature: 1.200000 Total energy: -1617.506744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.506744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.506744 (E_RNA) where: Base-Base interactions energy: -1090.064 where: short stacking energy: -479.041 Base-Backbone interact. energy: -0.309 local terms energy: -527.134005 where: bonds (distance) C4'-P energy: -109.479 bonds (distance) P-C4' energy: -111.858 flat angles C4'-P-C4' energy: -121.103 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: -112.364 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: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1588.517487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.517487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.517487 (E_RNA) where: Base-Base interactions energy: -1060.100 where: short stacking energy: -474.078 Base-Backbone interact. energy: 2.942 local terms energy: -531.360109 where: bonds (distance) C4'-P energy: -96.644 bonds (distance) P-C4' energy: -118.357 flat angles C4'-P-C4' energy: -126.749 flat angles P-C4'-P energy: -80.951 tors. eta vs tors. theta energy: -108.659 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: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1275.248079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.248079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.248079 (E_RNA) where: Base-Base interactions energy: -863.885 where: short stacking energy: -344.006 Base-Backbone interact. energy: -2.279 local terms energy: -409.084652 where: bonds (distance) C4'-P energy: -94.548 bonds (distance) P-C4' energy: -93.206 flat angles C4'-P-C4' energy: -112.397 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -55.302 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: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -830.316773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.316773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.316773 (E_RNA) where: Base-Base interactions energy: -439.483 where: short stacking energy: -220.467 Base-Backbone interact. energy: -0.272 local terms energy: -390.561613 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -108.432 flat angles P-C4'-P energy: -63.720 tors. eta vs tors. theta energy: -13.233 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: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2447.538072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.538072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.538072 (E_RNA) where: Base-Base interactions energy: -1731.663 where: short stacking energy: -720.734 Base-Backbone interact. energy: -2.596 local terms energy: -713.279004 where: bonds (distance) C4'-P energy: -132.064 bonds (distance) P-C4' energy: -129.054 flat angles C4'-P-C4' energy: -146.385 flat angles P-C4'-P energy: -108.009 tors. eta vs tors. theta energy: -197.768 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: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2373.572181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.572181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.572181 (E_RNA) where: Base-Base interactions energy: -1658.926 where: short stacking energy: -703.986 Base-Backbone interact. energy: -3.000 local terms energy: -711.646526 where: bonds (distance) C4'-P energy: -122.403 bonds (distance) P-C4' energy: -132.609 flat angles C4'-P-C4' energy: -151.291 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -192.735 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: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2234.728198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.728198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.728198 (E_RNA) where: Base-Base interactions energy: -1560.207 where: short stacking energy: -663.469 Base-Backbone interact. energy: -1.865 local terms energy: -672.656665 where: bonds (distance) C4'-P energy: -128.180 bonds (distance) P-C4' energy: -120.779 flat angles C4'-P-C4' energy: -149.812 flat angles P-C4'-P energy: -93.606 tors. eta vs tors. theta energy: -180.279 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: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2136.652396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.652396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.652396 (E_RNA) where: Base-Base interactions energy: -1530.778 where: short stacking energy: -628.439 Base-Backbone interact. energy: 0.448 local terms energy: -606.321869 where: bonds (distance) C4'-P energy: -109.914 bonds (distance) P-C4' energy: -106.645 flat angles C4'-P-C4' energy: -132.897 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -161.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2084.653785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.653785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.653785 (E_RNA) where: Base-Base interactions energy: -1456.776 where: short stacking energy: -599.181 Base-Backbone interact. energy: 3.026 local terms energy: -630.904067 where: bonds (distance) C4'-P energy: -108.571 bonds (distance) P-C4' energy: -121.920 flat angles C4'-P-C4' energy: -131.050 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -172.011 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: 3 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1865.149829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.149829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.149829 (E_RNA) where: Base-Base interactions energy: -1276.464 where: short stacking energy: -540.399 Base-Backbone interact. energy: 2.265 local terms energy: -590.950415 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -114.376 flat angles C4'-P-C4' energy: -126.454 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -155.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1518.693630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.693630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.693630 (E_RNA) where: Base-Base interactions energy: -1007.820 where: short stacking energy: -459.773 Base-Backbone interact. energy: 0.636 local terms energy: -511.509597 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -115.447 flat angles C4'-P-C4' energy: -116.990 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -100.606 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: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1526.701443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.701443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.701443 (E_RNA) where: Base-Base interactions energy: -1040.983 where: short stacking energy: -457.077 Base-Backbone interact. energy: -3.043 local terms energy: -482.675766 where: bonds (distance) C4'-P energy: -93.520 bonds (distance) P-C4' energy: -105.490 flat angles C4'-P-C4' energy: -112.063 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -93.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1264.533518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.533518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.533518 (E_RNA) where: Base-Base interactions energy: -829.277 where: short stacking energy: -359.924 Base-Backbone interact. energy: -3.150 local terms energy: -432.106924 where: bonds (distance) C4'-P energy: -104.479 bonds (distance) P-C4' energy: -106.391 flat angles C4'-P-C4' energy: -107.050 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -53.671 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: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -836.619587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.619587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.619587 (E_RNA) where: Base-Base interactions energy: -450.385 where: short stacking energy: -235.094 Base-Backbone interact. energy: -2.517 local terms energy: -383.717521 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -94.073 flat angles C4'-P-C4' energy: -112.073 flat angles P-C4'-P energy: -52.625 tors. eta vs tors. theta energy: -10.576 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: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2428.606791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.606791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.606791 (E_RNA) where: Base-Base interactions energy: -1727.229 where: short stacking energy: -711.665 Base-Backbone interact. energy: -3.553 local terms energy: -697.824139 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -120.234 flat angles C4'-P-C4' energy: -159.089 flat angles P-C4'-P energy: -98.844 tors. eta vs tors. theta energy: -201.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2371.309655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.309655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.309655 (E_RNA) where: Base-Base interactions energy: -1672.658 where: short stacking energy: -698.709 Base-Backbone interact. energy: -0.009 local terms energy: -698.642216 where: bonds (distance) C4'-P energy: -134.468 bonds (distance) P-C4' energy: -121.462 flat angles C4'-P-C4' energy: -145.012 flat angles P-C4'-P energy: -94.878 tors. eta vs tors. theta energy: -202.822 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: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2201.757304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.757304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.757304 (E_RNA) where: Base-Base interactions energy: -1543.863 where: short stacking energy: -659.210 Base-Backbone interact. energy: -5.110 local terms energy: -652.784695 where: bonds (distance) C4'-P energy: -109.078 bonds (distance) P-C4' energy: -136.114 flat angles C4'-P-C4' energy: -146.400 flat angles P-C4'-P energy: -98.612 tors. eta vs tors. theta energy: -162.580 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: 6 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2186.196855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.196855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.196855 (E_RNA) where: Base-Base interactions energy: -1566.742 where: short stacking energy: -641.935 Base-Backbone interact. energy: -0.064 local terms energy: -619.391480 where: bonds (distance) C4'-P energy: -124.333 bonds (distance) P-C4' energy: -101.126 flat angles C4'-P-C4' energy: -141.949 flat angles P-C4'-P energy: -86.466 tors. eta vs tors. theta energy: -165.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2055.184971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.184971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.184971 (E_RNA) where: Base-Base interactions energy: -1427.532 where: short stacking energy: -581.332 Base-Backbone interact. energy: -3.320 local terms energy: -624.332506 where: bonds (distance) C4'-P energy: -107.960 bonds (distance) P-C4' energy: -108.575 flat angles C4'-P-C4' energy: -139.264 flat angles P-C4'-P energy: -96.406 tors. eta vs tors. theta energy: -172.128 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: 3 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1869.688411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.688411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.688411 (E_RNA) where: Base-Base interactions energy: -1288.575 where: short stacking energy: -568.477 Base-Backbone interact. energy: -3.378 local terms energy: -577.735678 where: bonds (distance) C4'-P energy: -105.796 bonds (distance) P-C4' energy: -113.872 flat angles C4'-P-C4' energy: -128.628 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -148.477 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: 10 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1530.152245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.152245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.152245 (E_RNA) where: Base-Base interactions energy: -1049.201 where: short stacking energy: -446.363 Base-Backbone interact. energy: 5.655 local terms energy: -486.606266 where: bonds (distance) C4'-P energy: -105.605 bonds (distance) P-C4' energy: -97.767 flat angles C4'-P-C4' energy: -124.565 flat angles P-C4'-P energy: -72.163 tors. eta vs tors. theta energy: -86.506 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: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1492.508644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.508644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.508644 (E_RNA) where: Base-Base interactions energy: -995.612 where: short stacking energy: -427.467 Base-Backbone interact. energy: 2.013 local terms energy: -498.908848 where: bonds (distance) C4'-P energy: -114.581 bonds (distance) P-C4' energy: -115.738 flat angles C4'-P-C4' energy: -116.769 flat angles P-C4'-P energy: -69.324 tors. eta vs tors. theta energy: -82.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1275.266271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.266271 (E_RNA) where: Base-Base interactions energy: -830.679 where: short stacking energy: -383.224 Base-Backbone interact. energy: -1.346 local terms energy: -443.241185 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -114.153 flat angles C4'-P-C4' energy: -107.081 flat angles P-C4'-P energy: -60.099 tors. eta vs tors. theta energy: -55.308 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: 10, replica: 2 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -878.757327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.757327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.757327 (E_RNA) where: Base-Base interactions energy: -513.404 where: short stacking energy: -252.251 Base-Backbone interact. energy: -2.635 local terms energy: -362.718027 where: bonds (distance) C4'-P energy: -100.962 bonds (distance) P-C4' energy: -101.548 flat angles C4'-P-C4' energy: -96.149 flat angles P-C4'-P energy: -39.918 tors. eta vs tors. theta energy: -24.141 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: 451 Temperature: 0.900000 Total energy: -2447.156598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.156598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.156598 (E_RNA) where: Base-Base interactions energy: -1718.827 where: short stacking energy: -744.894 Base-Backbone interact. energy: -2.974 local terms energy: -725.355019 where: bonds (distance) C4'-P energy: -134.086 bonds (distance) P-C4' energy: -128.882 flat angles C4'-P-C4' energy: -160.308 flat angles P-C4'-P energy: -102.963 tors. eta vs tors. theta energy: -199.116 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: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2326.705184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.705184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.705184 (E_RNA) where: Base-Base interactions energy: -1654.125 where: short stacking energy: -683.813 Base-Backbone interact. energy: -0.987 local terms energy: -671.593177 where: bonds (distance) C4'-P energy: -107.112 bonds (distance) P-C4' energy: -130.451 flat angles C4'-P-C4' energy: -139.333 flat angles P-C4'-P energy: -101.732 tors. eta vs tors. theta energy: -192.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2239.897350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.897350 (E_RNA) where: Base-Base interactions energy: -1578.121 where: short stacking energy: -663.706 Base-Backbone interact. energy: -4.096 local terms energy: -657.680685 where: bonds (distance) C4'-P energy: -117.942 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -137.206 flat angles P-C4'-P energy: -104.356 tors. eta vs tors. theta energy: -172.985 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: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2159.203833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.203833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.203833 (E_RNA) where: Base-Base interactions energy: -1536.608 where: short stacking energy: -633.275 Base-Backbone interact. energy: -0.914 local terms energy: -621.681878 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -123.809 flat angles C4'-P-C4' energy: -128.967 flat angles P-C4'-P energy: -84.505 tors. eta vs tors. theta energy: -164.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2062.648457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.648457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.648457 (E_RNA) where: Base-Base interactions energy: -1452.080 where: short stacking energy: -620.514 Base-Backbone interact. energy: -1.934 local terms energy: -608.634372 where: bonds (distance) C4'-P energy: -116.341 bonds (distance) P-C4' energy: -123.122 flat angles C4'-P-C4' energy: -127.718 flat angles P-C4'-P energy: -65.948 tors. eta vs tors. theta energy: -175.505 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: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1875.949623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.949623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.949623 (E_RNA) where: Base-Base interactions energy: -1265.758 where: short stacking energy: -573.921 Base-Backbone interact. energy: -0.359 local terms energy: -609.831925 where: bonds (distance) C4'-P energy: -108.441 bonds (distance) P-C4' energy: -126.712 flat angles C4'-P-C4' energy: -134.695 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: -161.536 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: 10 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1563.359247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.359247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.359247 (E_RNA) where: Base-Base interactions energy: -1059.353 where: short stacking energy: -457.074 Base-Backbone interact. energy: -0.015 local terms energy: -503.991543 where: bonds (distance) C4'-P energy: -111.000 bonds (distance) P-C4' energy: -114.837 flat angles C4'-P-C4' energy: -121.005 flat angles P-C4'-P energy: -77.709 tors. eta vs tors. theta energy: -79.441 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: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1358.478359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.478359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.478359 (E_RNA) where: Base-Base interactions energy: -888.594 where: short stacking energy: -395.733 Base-Backbone interact. energy: -3.366 local terms energy: -466.518232 where: bonds (distance) C4'-P energy: -106.233 bonds (distance) P-C4' energy: -118.740 flat angles C4'-P-C4' energy: -114.822 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: -66.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1212.694729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.694729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.694729 (E_RNA) where: Base-Base interactions energy: -782.298 where: short stacking energy: -370.918 Base-Backbone interact. energy: -2.855 local terms energy: -427.540850 where: bonds (distance) C4'-P energy: -88.122 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -98.866 flat angles P-C4'-P energy: -55.014 tors. eta vs tors. theta energy: -68.616 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: 2 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -887.265239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.265239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.265239 (E_RNA) where: Base-Base interactions energy: -525.994 where: short stacking energy: -259.935 Base-Backbone interact. energy: 3.411 local terms energy: -364.683000 where: bonds (distance) C4'-P energy: -99.750 bonds (distance) P-C4' energy: -121.137 flat angles C4'-P-C4' energy: -83.240 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: -17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2442.796648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.796648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.796648 (E_RNA) where: Base-Base interactions energy: -1715.736 where: short stacking energy: -696.526 Base-Backbone interact. energy: -2.432 local terms energy: -724.629100 where: bonds (distance) C4'-P energy: -132.159 bonds (distance) P-C4' energy: -125.552 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -110.250 tors. eta vs tors. theta energy: -206.307 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: 452 Temperature: 0.950000 Total energy: -2317.203365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.203365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.203365 (E_RNA) where: Base-Base interactions energy: -1642.541 where: short stacking energy: -690.449 Base-Backbone interact. energy: -0.510 local terms energy: -674.152383 where: bonds (distance) C4'-P energy: -113.256 bonds (distance) P-C4' energy: -122.691 flat angles C4'-P-C4' energy: -143.114 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -190.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2273.409864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.409864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.409864 (E_RNA) where: Base-Base interactions energy: -1584.377 where: short stacking energy: -670.321 Base-Backbone interact. energy: -4.291 local terms energy: -684.741619 where: bonds (distance) C4'-P energy: -127.926 bonds (distance) P-C4' energy: -127.154 flat angles C4'-P-C4' energy: -143.654 flat angles P-C4'-P energy: -100.078 tors. eta vs tors. theta energy: -185.930 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: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2147.132809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.132809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.132809 (E_RNA) where: Base-Base interactions energy: -1540.068 where: short stacking energy: -639.218 Base-Backbone interact. energy: -2.844 local terms energy: -604.220948 where: bonds (distance) C4'-P energy: -98.534 bonds (distance) P-C4' energy: -109.565 flat angles C4'-P-C4' energy: -144.544 flat angles P-C4'-P energy: -84.988 tors. eta vs tors. theta energy: -166.591 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: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2058.257790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.257790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.257790 (E_RNA) where: Base-Base interactions energy: -1415.771 where: short stacking energy: -589.108 Base-Backbone interact. energy: -3.563 local terms energy: -638.923588 where: bonds (distance) C4'-P energy: -120.482 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -142.166 flat angles P-C4'-P energy: -84.929 tors. eta vs tors. theta energy: -171.480 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: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1865.785477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.785477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.785477 (E_RNA) where: Base-Base interactions energy: -1272.067 where: short stacking energy: -573.401 Base-Backbone interact. energy: -3.386 local terms energy: -590.332679 where: bonds (distance) C4'-P energy: -106.168 bonds (distance) P-C4' energy: -126.299 flat angles C4'-P-C4' energy: -127.583 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: -161.630 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: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1544.632971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.632971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.632971 (E_RNA) where: Base-Base interactions energy: -1034.722 where: short stacking energy: -432.490 Base-Backbone interact. energy: 1.873 local terms energy: -511.783723 where: bonds (distance) C4'-P energy: -114.841 bonds (distance) P-C4' energy: -106.927 flat angles C4'-P-C4' energy: -112.677 flat angles P-C4'-P energy: -84.754 tors. eta vs tors. theta energy: -92.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1393.709399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.709399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.709399 (E_RNA) where: Base-Base interactions energy: -913.014 where: short stacking energy: -406.316 Base-Backbone interact. energy: 3.155 local terms energy: -483.850943 where: bonds (distance) C4'-P energy: -100.184 bonds (distance) P-C4' energy: -116.877 flat angles C4'-P-C4' energy: -110.829 flat angles P-C4'-P energy: -77.665 tors. eta vs tors. theta energy: -78.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1224.413738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.413738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.413738 (E_RNA) where: Base-Base interactions energy: -790.114 where: short stacking energy: -367.450 Base-Backbone interact. energy: -2.310 local terms energy: -431.989285 where: bonds (distance) C4'-P energy: -107.860 bonds (distance) P-C4' energy: -112.136 flat angles C4'-P-C4' energy: -86.251 flat angles P-C4'-P energy: -70.558 tors. eta vs tors. theta energy: -55.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -915.856877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.856877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.856877 (E_RNA) where: Base-Base interactions energy: -522.202 where: short stacking energy: -242.828 Base-Backbone interact. energy: 0.118 local terms energy: -393.772753 where: bonds (distance) C4'-P energy: -91.802 bonds (distance) P-C4' energy: -96.023 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -21.191 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: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2454.952606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.952606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.952606 (E_RNA) where: Base-Base interactions energy: -1736.724 where: short stacking energy: -695.927 Base-Backbone interact. energy: -1.865 local terms energy: -716.363507 where: bonds (distance) C4'-P energy: -118.976 bonds (distance) P-C4' energy: -135.088 flat angles C4'-P-C4' energy: -143.043 flat angles P-C4'-P energy: -113.921 tors. eta vs tors. theta energy: -205.336 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: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2306.275533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.275533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.275533 (E_RNA) where: Base-Base interactions energy: -1625.136 where: short stacking energy: -705.937 Base-Backbone interact. energy: -3.066 local terms energy: -678.073747 where: bonds (distance) C4'-P energy: -112.099 bonds (distance) P-C4' energy: -129.408 flat angles C4'-P-C4' energy: -145.006 flat angles P-C4'-P energy: -101.306 tors. eta vs tors. theta energy: -190.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2253.926729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.926729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.926729 (E_RNA) where: Base-Base interactions energy: -1568.455 where: short stacking energy: -647.841 Base-Backbone interact. energy: -2.001 local terms energy: -683.470012 where: bonds (distance) C4'-P energy: -123.508 bonds (distance) P-C4' energy: -139.854 flat angles C4'-P-C4' energy: -153.705 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -164.942 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2163.130080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.130080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.130080 (E_RNA) where: Base-Base interactions energy: -1519.376 where: short stacking energy: -606.787 Base-Backbone interact. energy: -1.121 local terms energy: -642.633167 where: bonds (distance) C4'-P energy: -111.142 bonds (distance) P-C4' energy: -122.003 flat angles C4'-P-C4' energy: -149.513 flat angles P-C4'-P energy: -95.427 tors. eta vs tors. theta energy: -164.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2042.481126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.481126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.481126 (E_RNA) where: Base-Base interactions energy: -1406.757 where: short stacking energy: -608.356 Base-Backbone interact. energy: -3.653 local terms energy: -632.070634 where: bonds (distance) C4'-P energy: -105.536 bonds (distance) P-C4' energy: -119.066 flat angles C4'-P-C4' energy: -147.786 flat angles P-C4'-P energy: -86.071 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: 6, replica: 3 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1877.262898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.262898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.262898 (E_RNA) where: Base-Base interactions energy: -1281.395 where: short stacking energy: -539.105 Base-Backbone interact. energy: -0.032 local terms energy: -595.836100 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -119.871 flat angles C4'-P-C4' energy: -125.478 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -155.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1584.770711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.770711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.770711 (E_RNA) where: Base-Base interactions energy: -1087.559 where: short stacking energy: -467.380 Base-Backbone interact. energy: -3.006 local terms energy: -494.205370 where: bonds (distance) C4'-P energy: -88.814 bonds (distance) P-C4' energy: -125.889 flat angles C4'-P-C4' energy: -126.585 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -99.518 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: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1336.172844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.172844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.172844 (E_RNA) where: Base-Base interactions energy: -869.612 where: short stacking energy: -378.617 Base-Backbone interact. energy: -1.888 local terms energy: -464.672399 where: bonds (distance) C4'-P energy: -94.968 bonds (distance) P-C4' energy: -118.700 flat angles C4'-P-C4' energy: -122.195 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: -65.870 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: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1237.121274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.121274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.121274 (E_RNA) where: Base-Base interactions energy: -791.347 where: short stacking energy: -388.626 Base-Backbone interact. energy: -4.555 local terms energy: -441.219924 where: bonds (distance) C4'-P energy: -97.440 bonds (distance) P-C4' energy: -120.396 flat angles C4'-P-C4' energy: -104.278 flat angles P-C4'-P energy: -41.750 tors. eta vs tors. theta energy: -77.356 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: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -882.011748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.011748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.011748 (E_RNA) where: Base-Base interactions energy: -502.708 where: short stacking energy: -242.222 Base-Backbone interact. energy: 1.500 local terms energy: -380.803240 where: bonds (distance) C4'-P energy: -112.118 bonds (distance) P-C4' energy: -99.617 flat angles C4'-P-C4' energy: -92.641 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -22.932 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: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2405.591630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.591630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.591630 (E_RNA) where: Base-Base interactions energy: -1684.614 where: short stacking energy: -704.625 Base-Backbone interact. energy: -1.738 local terms energy: -719.238957 where: bonds (distance) C4'-P energy: -136.231 bonds (distance) P-C4' energy: -138.703 flat angles C4'-P-C4' energy: -143.167 flat angles P-C4'-P energy: -100.038 tors. eta vs tors. theta energy: -201.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2325.565224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.565224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.565224 (E_RNA) where: Base-Base interactions energy: -1618.348 where: short stacking energy: -699.361 Base-Backbone interact. energy: -4.596 local terms energy: -702.621572 where: bonds (distance) C4'-P energy: -123.204 bonds (distance) P-C4' energy: -143.567 flat angles C4'-P-C4' energy: -143.604 flat angles P-C4'-P energy: -98.206 tors. eta vs tors. theta energy: -194.041 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: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2238.769907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.769907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.769907 (E_RNA) where: Base-Base interactions energy: -1570.592 where: short stacking energy: -678.923 Base-Backbone interact. energy: -2.206 local terms energy: -665.971624 where: bonds (distance) C4'-P energy: -120.374 bonds (distance) P-C4' energy: -126.507 flat angles C4'-P-C4' energy: -140.914 flat angles P-C4'-P energy: -96.102 tors. eta vs tors. theta energy: -182.074 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: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2138.324156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.324156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.324156 (E_RNA) where: Base-Base interactions energy: -1510.691 where: short stacking energy: -644.257 Base-Backbone interact. energy: -2.461 local terms energy: -625.172280 where: bonds (distance) C4'-P energy: -117.683 bonds (distance) P-C4' energy: -117.416 flat angles C4'-P-C4' energy: -135.862 flat angles P-C4'-P energy: -91.362 tors. eta vs tors. theta energy: -162.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2096.979153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.979153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.979153 (E_RNA) where: Base-Base interactions energy: -1480.694 where: short stacking energy: -653.771 Base-Backbone interact. energy: -0.008 local terms energy: -616.277069 where: bonds (distance) C4'-P energy: -99.651 bonds (distance) P-C4' energy: -111.331 flat angles C4'-P-C4' energy: -149.787 flat angles P-C4'-P energy: -79.637 tors. eta vs tors. theta energy: -175.870 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: 6, replica: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1968.399028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.399028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.399028 (E_RNA) where: Base-Base interactions energy: -1334.792 where: short stacking energy: -587.682 Base-Backbone interact. energy: -1.108 local terms energy: -632.499040 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -116.070 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -97.197 tors. eta vs tors. theta energy: -169.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1599.134552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.134552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.134552 (E_RNA) where: Base-Base interactions energy: -1059.632 where: short stacking energy: -446.143 Base-Backbone interact. energy: -1.587 local terms energy: -537.915229 where: bonds (distance) C4'-P energy: -117.960 bonds (distance) P-C4' energy: -110.042 flat angles C4'-P-C4' energy: -126.751 flat angles P-C4'-P energy: -73.355 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: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1382.139422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.139422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.139422 (E_RNA) where: Base-Base interactions energy: -887.127 where: short stacking energy: -405.157 Base-Backbone interact. energy: -4.222 local terms energy: -490.790163 where: bonds (distance) C4'-P energy: -98.112 bonds (distance) P-C4' energy: -112.364 flat angles C4'-P-C4' energy: -127.983 flat angles P-C4'-P energy: -60.575 tors. eta vs tors. theta energy: -91.756 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: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1192.146722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.146722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.146722 (E_RNA) where: Base-Base interactions energy: -780.010 where: short stacking energy: -356.406 Base-Backbone interact. energy: -2.758 local terms energy: -409.378562 where: bonds (distance) C4'-P energy: -112.366 bonds (distance) P-C4' energy: -117.992 flat angles C4'-P-C4' energy: -89.679 flat angles P-C4'-P energy: -38.525 tors. eta vs tors. theta energy: -50.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -941.901576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.901576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.901576 (E_RNA) where: Base-Base interactions energy: -531.947 where: short stacking energy: -249.360 Base-Backbone interact. energy: 0.443 local terms energy: -410.397895 where: bonds (distance) C4'-P energy: -105.615 bonds (distance) P-C4' energy: -111.306 flat angles C4'-P-C4' energy: -99.959 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: -38.209 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: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2412.518725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.518725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.518725 (E_RNA) where: Base-Base interactions energy: -1703.705 where: short stacking energy: -704.570 Base-Backbone interact. energy: -0.672 local terms energy: -708.141787 where: bonds (distance) C4'-P energy: -132.789 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -144.981 flat angles P-C4'-P energy: -100.544 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: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2314.571342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.571342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.571342 (E_RNA) where: Base-Base interactions energy: -1641.451 where: short stacking energy: -690.530 Base-Backbone interact. energy: -0.714 local terms energy: -672.405998 where: bonds (distance) C4'-P energy: -120.694 bonds (distance) P-C4' energy: -124.005 flat angles C4'-P-C4' energy: -144.935 flat angles P-C4'-P energy: -89.475 tors. eta vs tors. theta energy: -193.297 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: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2247.775176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.775176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.775176 (E_RNA) where: Base-Base interactions energy: -1578.766 where: short stacking energy: -703.037 Base-Backbone interact. energy: 0.739 local terms energy: -669.748138 where: bonds (distance) C4'-P energy: -119.124 bonds (distance) P-C4' energy: -117.783 flat angles C4'-P-C4' energy: -152.906 flat angles P-C4'-P energy: -99.721 tors. eta vs tors. theta energy: -180.214 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: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2139.457436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.457436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.457436 (E_RNA) where: Base-Base interactions energy: -1515.024 where: short stacking energy: -621.746 Base-Backbone interact. energy: -3.515 local terms energy: -620.917925 where: bonds (distance) C4'-P energy: -120.896 bonds (distance) P-C4' energy: -95.844 flat angles C4'-P-C4' energy: -146.400 flat angles P-C4'-P energy: -91.698 tors. eta vs tors. theta energy: -166.080 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: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2082.582117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.582117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.582117 (E_RNA) where: Base-Base interactions energy: -1456.260 where: short stacking energy: -618.291 Base-Backbone interact. energy: -1.181 local terms energy: -625.141289 where: bonds (distance) C4'-P energy: -102.993 bonds (distance) P-C4' energy: -125.897 flat angles C4'-P-C4' energy: -140.103 flat angles P-C4'-P energy: -89.666 tors. eta vs tors. theta energy: -166.483 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: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1861.215470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.215470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.215470 (E_RNA) where: Base-Base interactions energy: -1258.456 where: short stacking energy: -566.031 Base-Backbone interact. energy: 0.695 local terms energy: -603.454249 where: bonds (distance) C4'-P energy: -117.187 bonds (distance) P-C4' energy: -116.899 flat angles C4'-P-C4' energy: -121.127 flat angles P-C4'-P energy: -85.329 tors. eta vs tors. theta energy: -162.911 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: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1591.538248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.538248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.538248 (E_RNA) where: Base-Base interactions energy: -1082.376 where: short stacking energy: -452.257 Base-Backbone interact. energy: 3.277 local terms energy: -512.439354 where: bonds (distance) C4'-P energy: -104.467 bonds (distance) P-C4' energy: -98.428 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -78.175 tors. eta vs tors. theta energy: -106.382 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: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1260.859726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.859726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.859726 (E_RNA) where: Base-Base interactions energy: -807.548 where: short stacking energy: -357.977 Base-Backbone interact. energy: -2.308 local terms energy: -451.003817 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -118.284 flat angles C4'-P-C4' energy: -96.476 flat angles P-C4'-P energy: -60.781 tors. eta vs tors. theta energy: -52.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1203.030734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.030734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.030734 (E_RNA) where: Base-Base interactions energy: -763.975 where: short stacking energy: -346.063 Base-Backbone interact. energy: 2.165 local terms energy: -441.220602 where: bonds (distance) C4'-P energy: -101.717 bonds (distance) P-C4' energy: -105.413 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -73.387 tors. eta vs tors. theta energy: -57.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -962.321041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.321041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.321041 (E_RNA) where: Base-Base interactions energy: -565.270 where: short stacking energy: -279.326 Base-Backbone interact. energy: 1.020 local terms energy: -398.070688 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -102.208 flat angles P-C4'-P energy: -48.256 tors. eta vs tors. theta energy: -37.702 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: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2442.437159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.437159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.437159 (E_RNA) where: Base-Base interactions energy: -1739.827 where: short stacking energy: -715.364 Base-Backbone interact. energy: -1.683 local terms energy: -700.927041 where: bonds (distance) C4'-P energy: -131.538 bonds (distance) P-C4' energy: -123.718 flat angles C4'-P-C4' energy: -146.398 flat angles P-C4'-P energy: -104.475 tors. eta vs tors. theta energy: -194.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2329.978297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.978297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.978297 (E_RNA) where: Base-Base interactions energy: -1635.566 where: short stacking energy: -711.816 Base-Backbone interact. energy: -3.308 local terms energy: -691.104280 where: bonds (distance) C4'-P energy: -131.747 bonds (distance) P-C4' energy: -124.802 flat angles C4'-P-C4' energy: -151.880 flat angles P-C4'-P energy: -91.024 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: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2269.949201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.949201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.949201 (E_RNA) where: Base-Base interactions energy: -1582.993 where: short stacking energy: -679.556 Base-Backbone interact. energy: -3.328 local terms energy: -683.628232 where: bonds (distance) C4'-P energy: -127.230 bonds (distance) P-C4' energy: -120.829 flat angles C4'-P-C4' energy: -149.939 flat angles P-C4'-P energy: -91.587 tors. eta vs tors. theta energy: -194.043 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: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2114.336956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.336956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.336956 (E_RNA) where: Base-Base interactions energy: -1524.613 where: short stacking energy: -616.301 Base-Backbone interact. energy: -2.246 local terms energy: -587.477820 where: bonds (distance) C4'-P energy: -93.647 bonds (distance) P-C4' energy: -111.313 flat angles C4'-P-C4' energy: -130.824 flat angles P-C4'-P energy: -87.556 tors. eta vs tors. theta energy: -164.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2071.564274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.564274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.564274 (E_RNA) where: Base-Base interactions energy: -1438.993 where: short stacking energy: -587.384 Base-Backbone interact. energy: -0.589 local terms energy: -631.982200 where: bonds (distance) C4'-P energy: -113.846 bonds (distance) P-C4' energy: -125.831 flat angles C4'-P-C4' energy: -136.344 flat angles P-C4'-P energy: -98.094 tors. eta vs tors. theta energy: -157.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1867.935451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.935451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.935451 (E_RNA) where: Base-Base interactions energy: -1294.626 where: short stacking energy: -543.010 Base-Backbone interact. energy: -1.860 local terms energy: -571.449885 where: bonds (distance) C4'-P energy: -101.577 bonds (distance) P-C4' energy: -110.962 flat angles C4'-P-C4' energy: -138.180 flat angles P-C4'-P energy: -77.063 tors. eta vs tors. theta energy: -143.667 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: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1585.109153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.109153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.109153 (E_RNA) where: Base-Base interactions energy: -1065.588 where: short stacking energy: -482.627 Base-Backbone interact. energy: -0.522 local terms energy: -518.999385 where: bonds (distance) C4'-P energy: -82.615 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -117.740 flat angles P-C4'-P energy: -84.655 tors. eta vs tors. theta energy: -114.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1264.263779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.263779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.263779 (E_RNA) where: Base-Base interactions energy: -799.926 where: short stacking energy: -351.068 Base-Backbone interact. energy: 4.420 local terms energy: -468.757375 where: bonds (distance) C4'-P energy: -114.991 bonds (distance) P-C4' energy: -102.296 flat angles C4'-P-C4' energy: -115.878 flat angles P-C4'-P energy: -70.774 tors. eta vs tors. theta energy: -64.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1147.538625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.538625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.538625 (E_RNA) where: Base-Base interactions energy: -704.479 where: short stacking energy: -311.693 Base-Backbone interact. energy: 1.588 local terms energy: -444.647486 where: bonds (distance) C4'-P energy: -112.343 bonds (distance) P-C4' energy: -123.904 flat angles C4'-P-C4' energy: -104.398 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -43.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -900.823824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.823824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.823824 (E_RNA) where: Base-Base interactions energy: -500.508 where: short stacking energy: -244.563 Base-Backbone interact. energy: -0.904 local terms energy: -399.412083 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -130.321 flat angles C4'-P-C4' energy: -98.399 flat angles P-C4'-P energy: -45.324 tors. eta vs tors. theta energy: -13.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2428.658189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.658189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.658189 (E_RNA) where: Base-Base interactions energy: -1722.423 where: short stacking energy: -724.642 Base-Backbone interact. energy: -2.146 local terms energy: -704.089586 where: bonds (distance) C4'-P energy: -125.977 bonds (distance) P-C4' energy: -119.935 flat angles C4'-P-C4' energy: -155.223 flat angles P-C4'-P energy: -105.801 tors. eta vs tors. theta energy: -197.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2268.363663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.363663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.363663 (E_RNA) where: Base-Base interactions energy: -1590.427 where: short stacking energy: -678.109 Base-Backbone interact. energy: -3.956 local terms energy: -673.980342 where: bonds (distance) C4'-P energy: -130.718 bonds (distance) P-C4' energy: -120.890 flat angles C4'-P-C4' energy: -141.593 flat angles P-C4'-P energy: -91.387 tors. eta vs tors. theta energy: -189.393 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: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2274.291309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.291309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.291309 (E_RNA) where: Base-Base interactions energy: -1590.411 where: short stacking energy: -679.417 Base-Backbone interact. energy: -0.427 local terms energy: -683.452851 where: bonds (distance) C4'-P energy: -131.734 bonds (distance) P-C4' energy: -124.972 flat angles C4'-P-C4' energy: -149.020 flat angles P-C4'-P energy: -99.051 tors. eta vs tors. theta energy: -178.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2181.728727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.728727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.728727 (E_RNA) where: Base-Base interactions energy: -1529.418 where: short stacking energy: -649.864 Base-Backbone interact. energy: -4.197 local terms energy: -648.114029 where: bonds (distance) C4'-P energy: -126.810 bonds (distance) P-C4' energy: -121.807 flat angles C4'-P-C4' energy: -143.469 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: -169.493 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: 457 Temperature: 1.100000 Total energy: -2081.872501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.872501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.872501 (E_RNA) where: Base-Base interactions energy: -1466.498 where: short stacking energy: -599.965 Base-Backbone interact. energy: -0.959 local terms energy: -614.415394 where: bonds (distance) C4'-P energy: -104.768 bonds (distance) P-C4' energy: -119.942 flat angles C4'-P-C4' energy: -143.431 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: -168.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1875.865483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.865483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.865483 (E_RNA) where: Base-Base interactions energy: -1286.651 where: short stacking energy: -551.187 Base-Backbone interact. energy: -5.303 local terms energy: -583.911293 where: bonds (distance) C4'-P energy: -101.017 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -125.458 flat angles P-C4'-P energy: -74.065 tors. eta vs tors. theta energy: -160.066 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: 10 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1587.095735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.095735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.095735 (E_RNA) where: Base-Base interactions energy: -1067.738 where: short stacking energy: -459.743 Base-Backbone interact. energy: -3.479 local terms energy: -515.879333 where: bonds (distance) C4'-P energy: -98.169 bonds (distance) P-C4' energy: -118.427 flat angles C4'-P-C4' energy: -130.766 flat angles P-C4'-P energy: -67.432 tors. eta vs tors. theta energy: -101.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1302.667183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.667183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.667183 (E_RNA) where: Base-Base interactions energy: -863.230 where: short stacking energy: -381.214 Base-Backbone interact. energy: 4.866 local terms energy: -444.303305 where: bonds (distance) C4'-P energy: -111.531 bonds (distance) P-C4' energy: -102.785 flat angles C4'-P-C4' energy: -101.998 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -52.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1093.646757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.646757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.646757 (E_RNA) where: Base-Base interactions energy: -675.436 where: short stacking energy: -304.046 Base-Backbone interact. energy: -2.855 local terms energy: -415.355497 where: bonds (distance) C4'-P energy: -109.043 bonds (distance) P-C4' energy: -127.562 flat angles C4'-P-C4' energy: -93.591 flat angles P-C4'-P energy: -66.809 tors. eta vs tors. theta energy: -18.351 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: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -882.122346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.122346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.122346 (E_RNA) where: Base-Base interactions energy: -492.533 where: short stacking energy: -243.565 Base-Backbone interact. energy: 2.749 local terms energy: -392.337641 where: bonds (distance) C4'-P energy: -83.569 bonds (distance) P-C4' energy: -116.375 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -83.945 tors. eta vs tors. theta energy: -23.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2447.148599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.148599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.148599 (E_RNA) where: Base-Base interactions energy: -1736.572 where: short stacking energy: -715.590 Base-Backbone interact. energy: -3.843 local terms energy: -706.733014 where: bonds (distance) C4'-P energy: -130.383 bonds (distance) P-C4' energy: -134.265 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -100.136 tors. eta vs tors. theta energy: -189.359 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: 2, replica: 9 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2292.946857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.946857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.946857 (E_RNA) where: Base-Base interactions energy: -1596.496 where: short stacking energy: -690.767 Base-Backbone interact. energy: -3.118 local terms energy: -693.332331 where: bonds (distance) C4'-P energy: -120.889 bonds (distance) P-C4' energy: -141.246 flat angles C4'-P-C4' energy: -151.166 flat angles P-C4'-P energy: -96.346 tors. eta vs tors. theta energy: -183.686 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: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2261.780897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.780897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.780897 (E_RNA) where: Base-Base interactions energy: -1592.379 where: short stacking energy: -693.005 Base-Backbone interact. energy: -2.012 local terms energy: -667.389948 where: bonds (distance) C4'-P energy: -113.210 bonds (distance) P-C4' energy: -127.494 flat angles C4'-P-C4' energy: -154.758 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -176.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2176.233427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.233427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.233427 (E_RNA) where: Base-Base interactions energy: -1560.433 where: short stacking energy: -637.135 Base-Backbone interact. energy: 0.913 local terms energy: -616.713343 where: bonds (distance) C4'-P energy: -111.727 bonds (distance) P-C4' energy: -121.521 flat angles C4'-P-C4' energy: -133.514 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -163.308 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: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2095.480152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.480152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.480152 (E_RNA) where: Base-Base interactions energy: -1471.701 where: short stacking energy: -623.766 Base-Backbone interact. energy: 0.162 local terms energy: -623.940639 where: bonds (distance) C4'-P energy: -99.214 bonds (distance) P-C4' energy: -135.325 flat angles C4'-P-C4' energy: -137.092 flat angles P-C4'-P energy: -79.912 tors. eta vs tors. theta energy: -172.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1936.144537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.144537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.144537 (E_RNA) where: Base-Base interactions energy: -1353.369 where: short stacking energy: -571.827 Base-Backbone interact. energy: -0.895 local terms energy: -581.880300 where: bonds (distance) C4'-P energy: -106.113 bonds (distance) P-C4' energy: -92.690 flat angles C4'-P-C4' energy: -143.189 flat angles P-C4'-P energy: -87.650 tors. eta vs tors. theta energy: -152.238 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: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1565.597589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.597589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.597589 (E_RNA) where: Base-Base interactions energy: -1037.895 where: short stacking energy: -442.289 Base-Backbone interact. energy: 2.968 local terms energy: -530.670419 where: bonds (distance) C4'-P energy: -112.861 bonds (distance) P-C4' energy: -116.799 flat angles C4'-P-C4' energy: -121.229 flat angles P-C4'-P energy: -72.981 tors. eta vs tors. theta energy: -106.801 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: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1317.811058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.811058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.811058 (E_RNA) where: Base-Base interactions energy: -882.055 where: short stacking energy: -408.535 Base-Backbone interact. energy: -0.749 local terms energy: -435.006642 where: bonds (distance) C4'-P energy: -99.070 bonds (distance) P-C4' energy: -106.512 flat angles C4'-P-C4' energy: -107.671 flat angles P-C4'-P energy: -54.642 tors. eta vs tors. theta energy: -67.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1065.616373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.616373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.616373 (E_RNA) where: Base-Base interactions energy: -688.840 where: short stacking energy: -320.597 Base-Backbone interact. energy: -0.497 local terms energy: -376.278565 where: bonds (distance) C4'-P energy: -99.735 bonds (distance) P-C4' energy: -107.462 flat angles C4'-P-C4' energy: -88.289 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: -27.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -902.930553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.930553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.930553 (E_RNA) where: Base-Base interactions energy: -510.106 where: short stacking energy: -240.284 Base-Backbone interact. energy: 0.671 local terms energy: -393.496031 where: bonds (distance) C4'-P energy: -101.963 bonds (distance) P-C4' energy: -99.181 flat angles C4'-P-C4' energy: -114.414 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2439.870783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.870783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.870783 (E_RNA) where: Base-Base interactions energy: -1727.940 where: short stacking energy: -697.697 Base-Backbone interact. energy: -1.394 local terms energy: -710.537007 where: bonds (distance) C4'-P energy: -124.420 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -147.585 flat angles P-C4'-P energy: -102.562 tors. eta vs tors. theta energy: -198.805 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: 2, replica: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2302.998694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.998694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.998694 (E_RNA) where: Base-Base interactions energy: -1603.415 where: short stacking energy: -687.520 Base-Backbone interact. energy: -4.391 local terms energy: -695.193433 where: bonds (distance) C4'-P energy: -121.807 bonds (distance) P-C4' energy: -138.466 flat angles C4'-P-C4' energy: -154.211 flat angles P-C4'-P energy: -90.002 tors. eta vs tors. theta energy: -190.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2279.507353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.507353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.507353 (E_RNA) where: Base-Base interactions energy: -1590.911 where: short stacking energy: -690.841 Base-Backbone interact. energy: -4.498 local terms energy: -684.098194 where: bonds (distance) C4'-P energy: -125.066 bonds (distance) P-C4' energy: -123.409 flat angles C4'-P-C4' energy: -135.506 flat angles P-C4'-P energy: -108.757 tors. eta vs tors. theta energy: -191.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2153.182003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.182003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.182003 (E_RNA) where: Base-Base interactions energy: -1530.425 where: short stacking energy: -595.751 Base-Backbone interact. energy: -0.102 local terms energy: -622.654531 where: bonds (distance) C4'-P energy: -120.682 bonds (distance) P-C4' energy: -114.554 flat angles C4'-P-C4' energy: -138.545 flat angles P-C4'-P energy: -92.542 tors. eta vs tors. theta energy: -156.332 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: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2098.998671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.998671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.998671 (E_RNA) where: Base-Base interactions energy: -1438.013 where: short stacking energy: -607.065 Base-Backbone interact. energy: -4.674 local terms energy: -656.311480 where: bonds (distance) C4'-P energy: -123.118 bonds (distance) P-C4' energy: -134.198 flat angles C4'-P-C4' energy: -140.498 flat angles P-C4'-P energy: -77.137 tors. eta vs tors. theta energy: -181.360 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: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1905.218030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.218030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.218030 (E_RNA) where: Base-Base interactions energy: -1336.425 where: short stacking energy: -551.481 Base-Backbone interact. energy: -3.399 local terms energy: -565.393764 where: bonds (distance) C4'-P energy: -88.000 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -127.309 flat angles P-C4'-P energy: -82.467 tors. eta vs tors. theta energy: -148.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1599.013656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.013656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.013656 (E_RNA) where: Base-Base interactions energy: -1078.127 where: short stacking energy: -456.618 Base-Backbone interact. energy: 1.799 local terms energy: -522.685305 where: bonds (distance) C4'-P energy: -91.002 bonds (distance) P-C4' energy: -117.674 flat angles C4'-P-C4' energy: -125.535 flat angles P-C4'-P energy: -77.408 tors. eta vs tors. theta energy: -111.066 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: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1362.408600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.408600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.408600 (E_RNA) where: Base-Base interactions energy: -908.341 where: short stacking energy: -412.989 Base-Backbone interact. energy: 4.218 local terms energy: -458.285525 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -104.727 flat angles P-C4'-P energy: -71.915 tors. eta vs tors. theta energy: -70.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1101.644265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.644265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.644265 (E_RNA) where: Base-Base interactions energy: -688.121 where: short stacking energy: -326.409 Base-Backbone interact. energy: -1.356 local terms energy: -412.167261 where: bonds (distance) C4'-P energy: -118.677 bonds (distance) P-C4' energy: -105.462 flat angles C4'-P-C4' energy: -96.034 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -29.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -879.146073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.146073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.146073 (E_RNA) where: Base-Base interactions energy: -519.158 where: short stacking energy: -256.795 Base-Backbone interact. energy: -3.380 local terms energy: -356.608234 where: bonds (distance) C4'-P energy: -104.413 bonds (distance) P-C4' energy: -97.442 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -53.916 tors. eta vs tors. theta energy: -11.203 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: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2444.969288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.969288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.969288 (E_RNA) where: Base-Base interactions energy: -1712.072 where: short stacking energy: -701.336 Base-Backbone interact. energy: -1.935 local terms energy: -730.962054 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -135.784 flat angles C4'-P-C4' energy: -161.665 flat angles P-C4'-P energy: -99.175 tors. eta vs tors. theta energy: -200.544 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: 2, replica: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2312.866894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.866894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.866894 (E_RNA) where: Base-Base interactions energy: -1620.198 where: short stacking energy: -715.819 Base-Backbone interact. energy: -2.565 local terms energy: -690.103884 where: bonds (distance) C4'-P energy: -123.161 bonds (distance) P-C4' energy: -123.389 flat angles C4'-P-C4' energy: -150.487 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -196.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2247.689657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.689657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.689657 (E_RNA) where: Base-Base interactions energy: -1562.742 where: short stacking energy: -659.833 Base-Backbone interact. energy: -2.608 local terms energy: -682.339572 where: bonds (distance) C4'-P energy: -108.676 bonds (distance) P-C4' energy: -132.662 flat angles C4'-P-C4' energy: -149.324 flat angles P-C4'-P energy: -102.550 tors. eta vs tors. theta energy: -189.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2176.850310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.850310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.850310 (E_RNA) where: Base-Base interactions energy: -1521.435 where: short stacking energy: -627.637 Base-Backbone interact. energy: -2.541 local terms energy: -652.874708 where: bonds (distance) C4'-P energy: -134.114 bonds (distance) P-C4' energy: -125.468 flat angles C4'-P-C4' energy: -138.944 flat angles P-C4'-P energy: -89.704 tors. eta vs tors. theta energy: -164.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2067.380472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.380472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.380472 (E_RNA) where: Base-Base interactions energy: -1455.053 where: short stacking energy: -613.096 Base-Backbone interact. energy: -2.818 local terms energy: -609.509275 where: bonds (distance) C4'-P energy: -93.948 bonds (distance) P-C4' energy: -132.101 flat angles C4'-P-C4' energy: -130.735 flat angles P-C4'-P energy: -90.554 tors. eta vs tors. theta energy: -162.172 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: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1989.899199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.899199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.899199 (E_RNA) where: Base-Base interactions energy: -1363.069 where: short stacking energy: -597.497 Base-Backbone interact. energy: -3.048 local terms energy: -623.782110 where: bonds (distance) C4'-P energy: -104.617 bonds (distance) P-C4' energy: -126.914 flat angles C4'-P-C4' energy: -135.794 flat angles P-C4'-P energy: -92.517 tors. eta vs tors. theta energy: -163.939 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: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1614.404597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.404597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.404597 (E_RNA) where: Base-Base interactions energy: -1076.122 where: short stacking energy: -464.134 Base-Backbone interact. energy: -2.128 local terms energy: -536.155525 where: bonds (distance) C4'-P energy: -97.769 bonds (distance) P-C4' energy: -124.555 flat angles C4'-P-C4' energy: -121.489 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -116.936 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: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1321.748499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.748499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.748499 (E_RNA) where: Base-Base interactions energy: -829.409 where: short stacking energy: -366.851 Base-Backbone interact. energy: -6.251 local terms energy: -486.088111 where: bonds (distance) C4'-P energy: -119.128 bonds (distance) P-C4' energy: -103.678 flat angles C4'-P-C4' energy: -112.815 flat angles P-C4'-P energy: -88.118 tors. eta vs tors. theta energy: -62.350 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: 460 Temperature: 1.300000 Total energy: -1074.184956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.184956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.184956 (E_RNA) where: Base-Base interactions energy: -681.373 where: short stacking energy: -319.759 Base-Backbone interact. energy: -2.914 local terms energy: -389.898490 where: bonds (distance) C4'-P energy: -106.177 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -100.194 flat angles P-C4'-P energy: -62.402 tors. eta vs tors. theta energy: -34.027 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: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -904.305906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.305906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.305906 (E_RNA) where: Base-Base interactions energy: -516.149 where: short stacking energy: -281.734 Base-Backbone interact. energy: 2.063 local terms energy: -390.219846 where: bonds (distance) C4'-P energy: -108.474 bonds (distance) P-C4' energy: -110.849 flat angles C4'-P-C4' energy: -81.703 flat angles P-C4'-P energy: -54.722 tors. eta vs tors. theta energy: -34.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2450.058104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.058104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.058104 (E_RNA) where: Base-Base interactions energy: -1755.383 where: short stacking energy: -719.992 Base-Backbone interact. energy: -2.303 local terms energy: -692.372639 where: bonds (distance) C4'-P energy: -129.671 bonds (distance) P-C4' energy: -127.080 flat angles C4'-P-C4' energy: -146.198 flat angles P-C4'-P energy: -90.049 tors. eta vs tors. theta energy: -199.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2276.630092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.630092 (E_RNA) where: Base-Base interactions energy: -1560.621 where: short stacking energy: -680.656 Base-Backbone interact. energy: -2.741 local terms energy: -713.267479 where: bonds (distance) C4'-P energy: -132.502 bonds (distance) P-C4' energy: -143.619 flat angles C4'-P-C4' energy: -154.316 flat angles P-C4'-P energy: -93.060 tors. eta vs tors. theta energy: -189.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2260.445952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.445952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.445952 (E_RNA) where: Base-Base interactions energy: -1593.876 where: short stacking energy: -683.366 Base-Backbone interact. energy: -3.282 local terms energy: -663.287842 where: bonds (distance) C4'-P energy: -121.145 bonds (distance) P-C4' energy: -122.798 flat angles C4'-P-C4' energy: -136.814 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -192.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2196.314604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.314604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.314604 (E_RNA) where: Base-Base interactions energy: -1531.656 where: short stacking energy: -649.512 Base-Backbone interact. energy: -5.072 local terms energy: -659.586679 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -128.605 flat angles C4'-P-C4' energy: -150.973 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -170.234 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: 461 Temperature: 1.100000 Total energy: -2092.316001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.316001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.316001 (E_RNA) where: Base-Base interactions energy: -1449.558 where: short stacking energy: -599.034 Base-Backbone interact. energy: -2.687 local terms energy: -640.070865 where: bonds (distance) C4'-P energy: -127.697 bonds (distance) P-C4' energy: -132.225 flat angles C4'-P-C4' energy: -143.558 flat angles P-C4'-P energy: -69.314 tors. eta vs tors. theta energy: -167.277 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: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1998.229828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.229828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.229828 (E_RNA) where: Base-Base interactions energy: -1387.097 where: short stacking energy: -592.113 Base-Backbone interact. energy: -0.054 local terms energy: -611.079220 where: bonds (distance) C4'-P energy: -124.704 bonds (distance) P-C4' energy: -103.479 flat angles C4'-P-C4' energy: -134.701 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -169.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1584.843049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.843049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.843049 (E_RNA) where: Base-Base interactions energy: -1060.003 where: short stacking energy: -464.541 Base-Backbone interact. energy: 3.454 local terms energy: -528.294808 where: bonds (distance) C4'-P energy: -92.076 bonds (distance) P-C4' energy: -118.926 flat angles C4'-P-C4' energy: -124.595 flat angles P-C4'-P energy: -79.804 tors. eta vs tors. theta energy: -112.893 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: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1348.734325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.734325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.734325 (E_RNA) where: Base-Base interactions energy: -888.402 where: short stacking energy: -400.155 Base-Backbone interact. energy: -1.830 local terms energy: -458.502397 where: bonds (distance) C4'-P energy: -105.981 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -117.002 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: -71.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1060.152149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.152149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.152149 (E_RNA) where: Base-Base interactions energy: -640.468 where: short stacking energy: -303.118 Base-Backbone interact. energy: -1.037 local terms energy: -418.647474 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -107.415 flat angles C4'-P-C4' energy: -100.128 flat angles P-C4'-P energy: -59.926 tors. eta vs tors. theta energy: -54.602 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: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -942.858971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.858971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.858971 (E_RNA) where: Base-Base interactions energy: -560.251 where: short stacking energy: -253.065 Base-Backbone interact. energy: -2.894 local terms energy: -379.713738 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -103.177 flat angles C4'-P-C4' energy: -89.924 flat angles P-C4'-P energy: -61.826 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2428.387552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.387552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.387552 (E_RNA) where: Base-Base interactions energy: -1712.640 where: short stacking energy: -711.376 Base-Backbone interact. energy: -2.782 local terms energy: -712.965850 where: bonds (distance) C4'-P energy: -130.048 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -146.609 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -198.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2260.915663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.915663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.915663 (E_RNA) where: Base-Base interactions energy: -1608.690 where: short stacking energy: -682.387 Base-Backbone interact. energy: -2.750 local terms energy: -649.476386 where: bonds (distance) C4'-P energy: -129.691 bonds (distance) P-C4' energy: -97.297 flat angles C4'-P-C4' energy: -145.483 flat angles P-C4'-P energy: -92.672 tors. eta vs tors. theta energy: -184.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2268.605475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.605475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.605475 (E_RNA) where: Base-Base interactions energy: -1570.543 where: short stacking energy: -683.806 Base-Backbone interact. energy: -1.208 local terms energy: -696.855302 where: bonds (distance) C4'-P energy: -129.277 bonds (distance) P-C4' energy: -128.742 flat angles C4'-P-C4' energy: -147.912 flat angles P-C4'-P energy: -91.136 tors. eta vs tors. theta energy: -199.789 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: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2178.731552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.731552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.731552 (E_RNA) where: Base-Base interactions energy: -1522.570 where: short stacking energy: -614.829 Base-Backbone interact. energy: -5.444 local terms energy: -650.718383 where: bonds (distance) C4'-P energy: -121.567 bonds (distance) P-C4' energy: -122.782 flat angles C4'-P-C4' energy: -153.393 flat angles P-C4'-P energy: -90.345 tors. eta vs tors. theta energy: -162.631 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: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2122.030146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.030146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.030146 (E_RNA) where: Base-Base interactions energy: -1492.978 where: short stacking energy: -616.009 Base-Backbone interact. energy: 0.433 local terms energy: -629.485384 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -120.689 flat angles C4'-P-C4' energy: -143.053 flat angles P-C4'-P energy: -89.369 tors. eta vs tors. theta energy: -175.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1933.590053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.590053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.590053 (E_RNA) where: Base-Base interactions energy: -1318.336 where: short stacking energy: -587.779 Base-Backbone interact. energy: -3.013 local terms energy: -612.240906 where: bonds (distance) C4'-P energy: -113.935 bonds (distance) P-C4' energy: -111.109 flat angles C4'-P-C4' energy: -132.064 flat angles P-C4'-P energy: -87.607 tors. eta vs tors. theta energy: -167.526 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: 7, replica: 10 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1654.030130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.030130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.030130 (E_RNA) where: Base-Base interactions energy: -1133.172 where: short stacking energy: -490.812 Base-Backbone interact. energy: 2.651 local terms energy: -523.509469 where: bonds (distance) C4'-P energy: -100.958 bonds (distance) P-C4' energy: -112.949 flat angles C4'-P-C4' energy: -124.856 flat angles P-C4'-P energy: -65.675 tors. eta vs tors. theta energy: -119.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1323.095981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.095981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.095981 (E_RNA) where: Base-Base interactions energy: -846.169 where: short stacking energy: -360.118 Base-Backbone interact. energy: 0.149 local terms energy: -477.075882 where: bonds (distance) C4'-P energy: -95.189 bonds (distance) P-C4' energy: -127.141 flat angles C4'-P-C4' energy: -125.017 flat angles P-C4'-P energy: -64.432 tors. eta vs tors. theta energy: -65.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1021.742275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.742275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.742275 (E_RNA) where: Base-Base interactions energy: -572.633 where: short stacking energy: -297.108 Base-Backbone interact. energy: 1.601 local terms energy: -450.710070 where: bonds (distance) C4'-P energy: -121.167 bonds (distance) P-C4' energy: -126.619 flat angles C4'-P-C4' energy: -83.715 flat angles P-C4'-P energy: -68.246 tors. eta vs tors. theta energy: -50.963 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: 462 Temperature: 1.350000 Total energy: -986.733958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.733958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.733958 (E_RNA) where: Base-Base interactions energy: -604.328 where: short stacking energy: -295.301 Base-Backbone interact. energy: 2.612 local terms energy: -385.018326 where: bonds (distance) C4'-P energy: -99.786 bonds (distance) P-C4' energy: -106.979 flat angles C4'-P-C4' energy: -89.715 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -26.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2408.501813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.501813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.501813 (E_RNA) where: Base-Base interactions energy: -1706.059 where: short stacking energy: -712.097 Base-Backbone interact. energy: -1.945 local terms energy: -700.498193 where: bonds (distance) C4'-P energy: -118.996 bonds (distance) P-C4' energy: -132.864 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -104.301 tors. eta vs tors. theta energy: -196.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2294.089024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.089024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.089024 (E_RNA) where: Base-Base interactions energy: -1615.512 where: short stacking energy: -680.639 Base-Backbone interact. energy: 1.316 local terms energy: -679.892578 where: bonds (distance) C4'-P energy: -106.451 bonds (distance) P-C4' energy: -131.110 flat angles C4'-P-C4' energy: -147.465 flat angles P-C4'-P energy: -105.067 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2263.312195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.312195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.312195 (E_RNA) where: Base-Base interactions energy: -1587.501 where: short stacking energy: -681.008 Base-Backbone interact. energy: -0.312 local terms energy: -675.499276 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -130.346 flat angles C4'-P-C4' energy: -142.549 flat angles P-C4'-P energy: -95.723 tors. eta vs tors. theta energy: -183.971 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: 4, replica: 6 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2137.477240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.477240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.477240 (E_RNA) where: Base-Base interactions energy: -1523.483 where: short stacking energy: -604.342 Base-Backbone interact. energy: 9.490 local terms energy: -623.484163 where: bonds (distance) C4'-P energy: -111.644 bonds (distance) P-C4' energy: -120.761 flat angles C4'-P-C4' energy: -136.081 flat angles P-C4'-P energy: -91.329 tors. eta vs tors. theta energy: -163.670 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: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2050.859991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.859991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.859991 (E_RNA) where: Base-Base interactions energy: -1437.743 where: short stacking energy: -584.210 Base-Backbone interact. energy: 0.508 local terms energy: -613.624579 where: bonds (distance) C4'-P energy: -122.265 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -131.667 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -157.323 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: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1956.647086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.647086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.647086 (E_RNA) where: Base-Base interactions energy: -1359.733 where: short stacking energy: -600.128 Base-Backbone interact. energy: -0.786 local terms energy: -596.128364 where: bonds (distance) C4'-P energy: -106.709 bonds (distance) P-C4' energy: -107.989 flat angles C4'-P-C4' energy: -130.965 flat angles P-C4'-P energy: -80.850 tors. eta vs tors. theta energy: -169.615 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: 7, replica: 10 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1662.154293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.154293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.154293 (E_RNA) where: Base-Base interactions energy: -1127.082 where: short stacking energy: -466.779 Base-Backbone interact. energy: 0.241 local terms energy: -535.313006 where: bonds (distance) C4'-P energy: -125.299 bonds (distance) P-C4' energy: -125.830 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -76.865 tors. eta vs tors. theta energy: -103.169 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: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1437.468063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.468063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.468063 (E_RNA) where: Base-Base interactions energy: -938.808 where: short stacking energy: -446.376 Base-Backbone interact. energy: -2.438 local terms energy: -496.221817 where: bonds (distance) C4'-P energy: -93.459 bonds (distance) P-C4' energy: -114.503 flat angles C4'-P-C4' energy: -107.103 flat angles P-C4'-P energy: -76.452 tors. eta vs tors. theta energy: -104.704 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: 2 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -981.161086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.161086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.161086 (E_RNA) where: Base-Base interactions energy: -586.035 where: short stacking energy: -285.603 Base-Backbone interact. energy: 1.035 local terms energy: -396.161157 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -122.377 flat angles C4'-P-C4' energy: -93.205 flat angles P-C4'-P energy: -67.629 tors. eta vs tors. theta energy: -46.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -947.785590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.785590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.785590 (E_RNA) where: Base-Base interactions energy: -573.755 where: short stacking energy: -260.369 Base-Backbone interact. energy: -0.262 local terms energy: -373.768611 where: bonds (distance) C4'-P energy: -117.210 bonds (distance) P-C4' energy: -109.619 flat angles C4'-P-C4' energy: -89.577 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: -17.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -2390.813079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.813079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.813079 (E_RNA) where: Base-Base interactions energy: -1700.218 where: short stacking energy: -707.904 Base-Backbone interact. energy: 0.225 local terms energy: -690.820056 where: bonds (distance) C4'-P energy: -133.374 bonds (distance) P-C4' energy: -130.875 flat angles C4'-P-C4' energy: -139.694 flat angles P-C4'-P energy: -84.175 tors. eta vs tors. theta energy: -202.702 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: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2313.498245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.498245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.498245 (E_RNA) where: Base-Base interactions energy: -1620.878 where: short stacking energy: -679.547 Base-Backbone interact. energy: -3.657 local terms energy: -688.963386 where: bonds (distance) C4'-P energy: -123.976 bonds (distance) P-C4' energy: -137.073 flat angles C4'-P-C4' energy: -143.034 flat angles P-C4'-P energy: -97.645 tors. eta vs tors. theta energy: -187.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2221.529327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.529327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.529327 (E_RNA) where: Base-Base interactions energy: -1563.332 where: short stacking energy: -653.100 Base-Backbone interact. energy: -2.787 local terms energy: -655.410925 where: bonds (distance) C4'-P energy: -121.854 bonds (distance) P-C4' energy: -124.691 flat angles C4'-P-C4' energy: -149.135 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: -172.816 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: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2128.842536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.842536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.842536 (E_RNA) where: Base-Base interactions energy: -1499.623 where: short stacking energy: -641.986 Base-Backbone interact. energy: 2.408 local terms energy: -631.627537 where: bonds (distance) C4'-P energy: -114.172 bonds (distance) P-C4' energy: -117.351 flat angles C4'-P-C4' energy: -138.633 flat angles P-C4'-P energy: -92.348 tors. eta vs tors. theta energy: -169.125 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: 464 Temperature: 1.100000 Total energy: -2069.466802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.466802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.466802 (E_RNA) where: Base-Base interactions energy: -1442.712 where: short stacking energy: -604.657 Base-Backbone interact. energy: 4.075 local terms energy: -630.829675 where: bonds (distance) C4'-P energy: -119.869 bonds (distance) P-C4' energy: -116.799 flat angles C4'-P-C4' energy: -146.593 flat angles P-C4'-P energy: -80.220 tors. eta vs tors. theta energy: -167.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1950.933732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.933732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.933732 (E_RNA) where: Base-Base interactions energy: -1318.727 where: short stacking energy: -578.009 Base-Backbone interact. energy: -1.246 local terms energy: -630.960315 where: bonds (distance) C4'-P energy: -105.871 bonds (distance) P-C4' energy: -127.641 flat angles C4'-P-C4' energy: -133.758 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -171.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1603.423656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.423656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.423656 (E_RNA) where: Base-Base interactions energy: -1075.200 where: short stacking energy: -450.865 Base-Backbone interact. energy: -1.229 local terms energy: -526.995075 where: bonds (distance) C4'-P energy: -122.654 bonds (distance) P-C4' energy: -105.951 flat angles C4'-P-C4' energy: -120.546 flat angles P-C4'-P energy: -61.054 tors. eta vs tors. theta energy: -116.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1445.066933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.066933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.066933 (E_RNA) where: Base-Base interactions energy: -981.692 where: short stacking energy: -414.892 Base-Backbone interact. energy: 0.830 local terms energy: -464.204627 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -103.821 flat angles C4'-P-C4' energy: -98.490 flat angles P-C4'-P energy: -81.699 tors. eta vs tors. theta energy: -79.793 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: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -982.008984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.008984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.008984 (E_RNA) where: Base-Base interactions energy: -594.116 where: short stacking energy: -304.312 Base-Backbone interact. energy: -2.581 local terms energy: -385.311622 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -101.396 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -33.575 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: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -909.628363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.628363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.628363 (E_RNA) where: Base-Base interactions energy: -545.497 where: short stacking energy: -273.725 Base-Backbone interact. energy: 0.648 local terms energy: -364.779606 where: bonds (distance) C4'-P energy: -97.280 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -104.158 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -11.975 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: 465 Temperature: 0.900000 Total energy: -2417.703338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.703338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.703338 (E_RNA) where: Base-Base interactions energy: -1698.723 where: short stacking energy: -709.362 Base-Backbone interact. energy: 0.378 local terms energy: -719.358272 where: bonds (distance) C4'-P energy: -145.075 bonds (distance) P-C4' energy: -131.084 flat angles C4'-P-C4' energy: -148.012 flat angles P-C4'-P energy: -96.177 tors. eta vs tors. theta energy: -199.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2324.801553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.801553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.801553 (E_RNA) where: Base-Base interactions energy: -1643.610 where: short stacking energy: -695.823 Base-Backbone interact. energy: -0.805 local terms energy: -680.386152 where: bonds (distance) C4'-P energy: -120.076 bonds (distance) P-C4' energy: -126.243 flat angles C4'-P-C4' energy: -141.318 flat angles P-C4'-P energy: -102.002 tors. eta vs tors. theta energy: -190.748 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: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2223.846858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.846858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.846858 (E_RNA) where: Base-Base interactions energy: -1569.359 where: short stacking energy: -645.728 Base-Backbone interact. energy: -3.069 local terms energy: -651.419477 where: bonds (distance) C4'-P energy: -115.974 bonds (distance) P-C4' energy: -125.291 flat angles C4'-P-C4' energy: -142.521 flat angles P-C4'-P energy: -92.348 tors. eta vs tors. theta energy: -175.286 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2113.687246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.687246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.687246 (E_RNA) where: Base-Base interactions energy: -1488.581 where: short stacking energy: -620.635 Base-Backbone interact. energy: -1.021 local terms energy: -624.084823 where: bonds (distance) C4'-P energy: -110.894 bonds (distance) P-C4' energy: -121.282 flat angles C4'-P-C4' energy: -145.405 flat angles P-C4'-P energy: -84.729 tors. eta vs tors. theta energy: -161.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2043.983479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.983479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.983479 (E_RNA) where: Base-Base interactions energy: -1396.632 where: short stacking energy: -579.018 Base-Backbone interact. energy: -0.690 local terms energy: -646.661470 where: bonds (distance) C4'-P energy: -127.124 bonds (distance) P-C4' energy: -113.432 flat angles C4'-P-C4' energy: -148.205 flat angles P-C4'-P energy: -93.819 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: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1940.041900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.041900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.041900 (E_RNA) where: Base-Base interactions energy: -1328.437 where: short stacking energy: -589.774 Base-Backbone interact. energy: -4.344 local terms energy: -607.261126 where: bonds (distance) C4'-P energy: -119.459 bonds (distance) P-C4' energy: -111.184 flat angles C4'-P-C4' energy: -125.515 flat angles P-C4'-P energy: -89.804 tors. eta vs tors. theta energy: -161.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1637.045578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.045578 (E_RNA) where: Base-Base interactions energy: -1089.857 where: short stacking energy: -475.340 Base-Backbone interact. energy: 4.652 local terms energy: -551.840573 where: bonds (distance) C4'-P energy: -114.486 bonds (distance) P-C4' energy: -118.601 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -82.452 tors. eta vs tors. theta energy: -122.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1394.994664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.994664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.994664 (E_RNA) where: Base-Base interactions energy: -921.585 where: short stacking energy: -439.386 Base-Backbone interact. energy: 3.517 local terms energy: -476.926853 where: bonds (distance) C4'-P energy: -106.815 bonds (distance) P-C4' energy: -106.824 flat angles C4'-P-C4' energy: -116.224 flat angles P-C4'-P energy: -67.765 tors. eta vs tors. theta energy: -79.300 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: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1082.098919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.098919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.098919 (E_RNA) where: Base-Base interactions energy: -635.084 where: short stacking energy: -304.917 Base-Backbone interact. energy: -0.643 local terms energy: -446.371477 where: bonds (distance) C4'-P energy: -107.980 bonds (distance) P-C4' energy: -116.404 flat angles C4'-P-C4' energy: -111.446 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -40.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -873.820028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.820028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.820028 (E_RNA) where: Base-Base interactions energy: -499.885 where: short stacking energy: -272.081 Base-Backbone interact. energy: 2.665 local terms energy: -376.599944 where: bonds (distance) C4'-P energy: -90.010 bonds (distance) P-C4' energy: -100.687 flat angles C4'-P-C4' energy: -104.696 flat angles P-C4'-P energy: -60.734 tors. eta vs tors. theta energy: -20.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -2418.098001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.098001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.098001 (E_RNA) where: Base-Base interactions energy: -1696.604 where: short stacking energy: -714.978 Base-Backbone interact. energy: -1.907 local terms energy: -719.587010 where: bonds (distance) C4'-P energy: -139.189 bonds (distance) P-C4' energy: -134.843 flat angles C4'-P-C4' energy: -150.754 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -201.461 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: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2325.462431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.462431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.462431 (E_RNA) where: Base-Base interactions energy: -1644.400 where: short stacking energy: -694.160 Base-Backbone interact. energy: -0.867 local terms energy: -680.196367 where: bonds (distance) C4'-P energy: -109.937 bonds (distance) P-C4' energy: -129.065 flat angles C4'-P-C4' energy: -146.547 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -191.617 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: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2235.445189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.445189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.445189 (E_RNA) where: Base-Base interactions energy: -1577.597 where: short stacking energy: -639.119 Base-Backbone interact. energy: -1.239 local terms energy: -656.609507 where: bonds (distance) C4'-P energy: -112.959 bonds (distance) P-C4' energy: -122.565 flat angles C4'-P-C4' energy: -148.593 flat angles P-C4'-P energy: -96.278 tors. eta vs tors. theta energy: -176.214 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: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2150.849173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.849173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.849173 (E_RNA) where: Base-Base interactions energy: -1514.071 where: short stacking energy: -628.323 Base-Backbone interact. energy: 0.904 local terms energy: -637.682508 where: bonds (distance) C4'-P energy: -108.270 bonds (distance) P-C4' energy: -126.952 flat angles C4'-P-C4' energy: -144.251 flat angles P-C4'-P energy: -86.873 tors. eta vs tors. theta energy: -171.336 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: 5, replica: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2026.929520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.929520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.929520 (E_RNA) where: Base-Base interactions energy: -1421.669 where: short stacking energy: -618.516 Base-Backbone interact. energy: 1.159 local terms energy: -606.419555 where: bonds (distance) C4'-P energy: -106.880 bonds (distance) P-C4' energy: -120.282 flat angles C4'-P-C4' energy: -131.889 flat angles P-C4'-P energy: -83.965 tors. eta vs tors. theta energy: -163.403 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: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1949.261213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.261213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.261213 (E_RNA) where: Base-Base interactions energy: -1331.713 where: short stacking energy: -618.714 Base-Backbone interact. energy: -0.414 local terms energy: -617.133301 where: bonds (distance) C4'-P energy: -129.685 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -137.070 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -164.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1641.429365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.429365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.429365 (E_RNA) where: Base-Base interactions energy: -1111.806 where: short stacking energy: -471.229 Base-Backbone interact. energy: 5.322 local terms energy: -534.945798 where: bonds (distance) C4'-P energy: -93.271 bonds (distance) P-C4' energy: -130.600 flat angles C4'-P-C4' energy: -121.844 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -127.631 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: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1349.939953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.939953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.939953 (E_RNA) where: Base-Base interactions energy: -868.778 where: short stacking energy: -389.916 Base-Backbone interact. energy: 1.956 local terms energy: -483.118730 where: bonds (distance) C4'-P energy: -107.276 bonds (distance) P-C4' energy: -119.295 flat angles C4'-P-C4' energy: -120.483 flat angles P-C4'-P energy: -68.593 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: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1110.748741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.748741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.748741 (E_RNA) where: Base-Base interactions energy: -679.793 where: short stacking energy: -352.849 Base-Backbone interact. energy: -0.393 local terms energy: -430.562345 where: bonds (distance) C4'-P energy: -105.660 bonds (distance) P-C4' energy: -103.723 flat angles C4'-P-C4' energy: -103.397 flat angles P-C4'-P energy: -55.919 tors. eta vs tors. theta energy: -61.863 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: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -941.604663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.604663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.604663 (E_RNA) where: Base-Base interactions energy: -543.200 where: short stacking energy: -271.074 Base-Backbone interact. energy: -3.111 local terms energy: -395.293953 where: bonds (distance) C4'-P energy: -85.225 bonds (distance) P-C4' energy: -99.015 flat angles C4'-P-C4' energy: -109.076 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -28.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -2396.944465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.944465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.944465 (E_RNA) where: Base-Base interactions energy: -1705.109 where: short stacking energy: -694.487 Base-Backbone interact. energy: -0.256 local terms energy: -691.579313 where: bonds (distance) C4'-P energy: -120.521 bonds (distance) P-C4' energy: -131.251 flat angles C4'-P-C4' energy: -138.589 flat angles P-C4'-P energy: -101.694 tors. eta vs tors. theta energy: -199.524 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: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2313.912638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.912638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.912638 (E_RNA) where: Base-Base interactions energy: -1613.346 where: short stacking energy: -702.236 Base-Backbone interact. energy: -4.159 local terms energy: -696.407729 where: bonds (distance) C4'-P energy: -116.891 bonds (distance) P-C4' energy: -131.916 flat angles C4'-P-C4' energy: -151.228 flat angles P-C4'-P energy: -104.128 tors. eta vs tors. theta energy: -192.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2243.140835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.140835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.140835 (E_RNA) where: Base-Base interactions energy: -1555.320 where: short stacking energy: -645.606 Base-Backbone interact. energy: -2.666 local terms energy: -685.154988 where: bonds (distance) C4'-P energy: -133.574 bonds (distance) P-C4' energy: -132.862 flat angles C4'-P-C4' energy: -140.254 flat angles P-C4'-P energy: -101.450 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: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2132.776863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.776863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.776863 (E_RNA) where: Base-Base interactions energy: -1493.183 where: short stacking energy: -632.204 Base-Backbone interact. energy: -0.816 local terms energy: -638.777832 where: bonds (distance) C4'-P energy: -132.345 bonds (distance) P-C4' energy: -123.248 flat angles C4'-P-C4' energy: -144.989 flat angles P-C4'-P energy: -78.231 tors. eta vs tors. theta energy: -159.966 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: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2039.443532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.443532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.443532 (E_RNA) where: Base-Base interactions energy: -1399.087 where: short stacking energy: -576.780 Base-Backbone interact. energy: -1.669 local terms energy: -638.687347 where: bonds (distance) C4'-P energy: -122.179 bonds (distance) P-C4' energy: -122.932 flat angles C4'-P-C4' energy: -138.912 flat angles P-C4'-P energy: -94.374 tors. eta vs tors. theta energy: -160.291 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: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1887.888906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.888906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.888906 (E_RNA) where: Base-Base interactions energy: -1284.746 where: short stacking energy: -571.711 Base-Backbone interact. energy: -2.621 local terms energy: -600.521910 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -115.266 flat angles C4'-P-C4' energy: -136.511 flat angles P-C4'-P energy: -90.578 tors. eta vs tors. theta energy: -161.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1651.516823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.516823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.516823 (E_RNA) where: Base-Base interactions energy: -1145.668 where: short stacking energy: -498.147 Base-Backbone interact. energy: -0.955 local terms energy: -504.894140 where: bonds (distance) C4'-P energy: -106.406 bonds (distance) P-C4' energy: -94.612 flat angles C4'-P-C4' energy: -110.687 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -111.209 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: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1347.126759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.126759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.126759 (E_RNA) where: Base-Base interactions energy: -867.582 where: short stacking energy: -380.817 Base-Backbone interact. energy: -1.703 local terms energy: -477.841758 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -121.410 flat angles C4'-P-C4' energy: -117.795 flat angles P-C4'-P energy: -72.572 tors. eta vs tors. theta energy: -59.465 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: 467 Temperature: 1.300000 Total energy: -1012.927496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.927496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.927496 (E_RNA) where: Base-Base interactions energy: -624.654 where: short stacking energy: -277.313 Base-Backbone interact. energy: -2.111 local terms energy: -386.162967 where: bonds (distance) C4'-P energy: -94.371 bonds (distance) P-C4' energy: -124.089 flat angles C4'-P-C4' energy: -79.586 flat angles P-C4'-P energy: -60.290 tors. eta vs tors. theta energy: -27.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -985.618926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.618926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.618926 (E_RNA) where: Base-Base interactions energy: -596.266 where: short stacking energy: -276.174 Base-Backbone interact. energy: -2.214 local terms energy: -387.139308 where: bonds (distance) C4'-P energy: -102.192 bonds (distance) P-C4' energy: -118.754 flat angles C4'-P-C4' energy: -97.718 flat angles P-C4'-P energy: -43.221 tors. eta vs tors. theta energy: -25.254 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: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -2414.827444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.827444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.827444 (E_RNA) where: Base-Base interactions energy: -1700.135 where: short stacking energy: -723.007 Base-Backbone interact. energy: -2.272 local terms energy: -712.420419 where: bonds (distance) C4'-P energy: -136.382 bonds (distance) P-C4' energy: -133.943 flat angles C4'-P-C4' energy: -146.358 flat angles P-C4'-P energy: -96.751 tors. eta vs tors. theta energy: -198.986 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: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2307.289316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.289316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.289316 (E_RNA) where: Base-Base interactions energy: -1613.530 where: short stacking energy: -673.969 Base-Backbone interact. energy: -1.628 local terms energy: -692.131427 where: bonds (distance) C4'-P energy: -140.056 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -136.154 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -188.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2250.102267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.102267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.102267 (E_RNA) where: Base-Base interactions energy: -1588.869 where: short stacking energy: -668.980 Base-Backbone interact. energy: -3.158 local terms energy: -658.075767 where: bonds (distance) C4'-P energy: -126.943 bonds (distance) P-C4' energy: -127.158 flat angles C4'-P-C4' energy: -133.692 flat angles P-C4'-P energy: -82.934 tors. eta vs tors. theta energy: -187.350 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2099.103695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.103695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.103695 (E_RNA) where: Base-Base interactions energy: -1498.732 where: short stacking energy: -617.005 Base-Backbone interact. energy: -2.423 local terms energy: -597.948831 where: bonds (distance) C4'-P energy: -117.099 bonds (distance) P-C4' energy: -110.413 flat angles C4'-P-C4' energy: -142.958 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -155.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2057.706759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.706759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.706759 (E_RNA) where: Base-Base interactions energy: -1446.433 where: short stacking energy: -620.409 Base-Backbone interact. energy: -2.362 local terms energy: -608.912023 where: bonds (distance) C4'-P energy: -101.716 bonds (distance) P-C4' energy: -108.769 flat angles C4'-P-C4' energy: -124.127 flat angles P-C4'-P energy: -90.772 tors. eta vs tors. theta energy: -183.528 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: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1897.737456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.737456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.737456 (E_RNA) where: Base-Base interactions energy: -1291.633 where: short stacking energy: -577.822 Base-Backbone interact. energy: -2.316 local terms energy: -603.788373 where: bonds (distance) C4'-P energy: -121.678 bonds (distance) P-C4' energy: -105.133 flat angles C4'-P-C4' energy: -135.379 flat angles P-C4'-P energy: -81.610 tors. eta vs tors. theta energy: -159.989 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: 10 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1640.562423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.562423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.562423 (E_RNA) where: Base-Base interactions energy: -1099.673 where: short stacking energy: -499.569 Base-Backbone interact. energy: 2.339 local terms energy: -543.227930 where: bonds (distance) C4'-P energy: -105.615 bonds (distance) P-C4' energy: -119.542 flat angles C4'-P-C4' energy: -120.996 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -120.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1375.964886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.964886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.964886 (E_RNA) where: Base-Base interactions energy: -904.263 where: short stacking energy: -401.215 Base-Backbone interact. energy: -1.621 local terms energy: -470.080639 where: bonds (distance) C4'-P energy: -108.443 bonds (distance) P-C4' energy: -107.912 flat angles C4'-P-C4' energy: -108.710 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -87.341 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: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -947.722698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.722698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.722698 (E_RNA) where: Base-Base interactions energy: -542.769 where: short stacking energy: -292.494 Base-Backbone interact. energy: 4.507 local terms energy: -409.460393 where: bonds (distance) C4'-P energy: -96.801 bonds (distance) P-C4' energy: -107.283 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -61.823 tors. eta vs tors. theta energy: -34.445 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: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -985.268287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.268287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.268287 (E_RNA) where: Base-Base interactions energy: -584.156 where: short stacking energy: -267.992 Base-Backbone interact. energy: 1.176 local terms energy: -402.287546 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -106.822 flat angles C4'-P-C4' energy: -106.336 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -24.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -2427.656768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.656768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.656768 (E_RNA) where: Base-Base interactions energy: -1696.055 where: short stacking energy: -717.652 Base-Backbone interact. energy: -0.008 local terms energy: -731.593434 where: bonds (distance) C4'-P energy: -129.107 bonds (distance) P-C4' energy: -133.506 flat angles C4'-P-C4' energy: -158.512 flat angles P-C4'-P energy: -104.461 tors. eta vs tors. theta energy: -206.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -2336.307534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.307534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.307534 (E_RNA) where: Base-Base interactions energy: -1645.160 where: short stacking energy: -694.175 Base-Backbone interact. energy: -0.314 local terms energy: -690.833462 where: bonds (distance) C4'-P energy: -124.225 bonds (distance) P-C4' energy: -116.820 flat angles C4'-P-C4' energy: -151.563 flat angles P-C4'-P energy: -105.455 tors. eta vs tors. theta energy: -192.769 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: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2251.087308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.087308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.087308 (E_RNA) where: Base-Base interactions energy: -1593.569 where: short stacking energy: -664.340 Base-Backbone interact. energy: -5.294 local terms energy: -652.224039 where: bonds (distance) C4'-P energy: -112.179 bonds (distance) P-C4' energy: -141.477 flat angles C4'-P-C4' energy: -131.606 flat angles P-C4'-P energy: -88.221 tors. eta vs tors. theta energy: -178.740 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: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2111.092619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.092619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.092619 (E_RNA) where: Base-Base interactions energy: -1484.142 where: short stacking energy: -655.499 Base-Backbone interact. energy: 1.883 local terms energy: -628.833590 where: bonds (distance) C4'-P energy: -105.012 bonds (distance) P-C4' energy: -118.583 flat angles C4'-P-C4' energy: -132.181 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -184.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2113.569808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.569808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.569808 (E_RNA) where: Base-Base interactions energy: -1490.264 where: short stacking energy: -616.816 Base-Backbone interact. energy: 1.352 local terms energy: -624.658423 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -124.520 flat angles C4'-P-C4' energy: -148.245 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -160.544 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: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1894.548848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.548848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.548848 (E_RNA) where: Base-Base interactions energy: -1287.738 where: short stacking energy: -564.757 Base-Backbone interact. energy: -3.195 local terms energy: -603.616089 where: bonds (distance) C4'-P energy: -114.083 bonds (distance) P-C4' energy: -116.704 flat angles C4'-P-C4' energy: -127.707 flat angles P-C4'-P energy: -85.459 tors. eta vs tors. theta energy: -159.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1678.220848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.220848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.220848 (E_RNA) where: Base-Base interactions energy: -1138.034 where: short stacking energy: -510.423 Base-Backbone interact. energy: -0.583 local terms energy: -539.603551 where: bonds (distance) C4'-P energy: -98.598 bonds (distance) P-C4' energy: -102.952 flat angles C4'-P-C4' energy: -119.941 flat angles P-C4'-P energy: -88.081 tors. eta vs tors. theta energy: -130.031 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: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1425.941103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.941103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.941103 (E_RNA) where: Base-Base interactions energy: -940.898 where: short stacking energy: -403.948 Base-Backbone interact. energy: -3.415 local terms energy: -481.627859 where: bonds (distance) C4'-P energy: -101.694 bonds (distance) P-C4' energy: -110.960 flat angles C4'-P-C4' energy: -125.277 flat angles P-C4'-P energy: -76.632 tors. eta vs tors. theta energy: -67.065 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: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -962.615493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.615493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.615493 (E_RNA) where: Base-Base interactions energy: -553.046 where: short stacking energy: -268.255 Base-Backbone interact. energy: -0.847 local terms energy: -408.721845 where: bonds (distance) C4'-P energy: -113.613 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -117.600 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -28.568 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: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -959.962493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.962493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.962493 (E_RNA) where: Base-Base interactions energy: -548.531 where: short stacking energy: -272.749 Base-Backbone interact. energy: 0.002 local terms energy: -411.433245 where: bonds (distance) C4'-P energy: -115.793 bonds (distance) P-C4' energy: -111.456 flat angles C4'-P-C4' energy: -93.947 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -40.221 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: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -2440.104704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.104704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.104704 (E_RNA) where: Base-Base interactions energy: -1715.303 where: short stacking energy: -702.131 Base-Backbone interact. energy: -7.074 local terms energy: -717.727620 where: bonds (distance) C4'-P energy: -132.130 bonds (distance) P-C4' energy: -136.751 flat angles C4'-P-C4' energy: -150.470 flat angles P-C4'-P energy: -94.965 tors. eta vs tors. theta energy: -203.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2307.378791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.378791 (E_RNA) where: Base-Base interactions energy: -1615.841 where: short stacking energy: -695.095 Base-Backbone interact. energy: -2.663 local terms energy: -688.874948 where: bonds (distance) C4'-P energy: -120.333 bonds (distance) P-C4' energy: -129.226 flat angles C4'-P-C4' energy: -142.498 flat angles P-C4'-P energy: -100.506 tors. eta vs tors. theta energy: -196.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2283.840754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.840754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.840754 (E_RNA) where: Base-Base interactions energy: -1634.297 where: short stacking energy: -684.292 Base-Backbone interact. energy: -6.690 local terms energy: -642.853746 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -115.602 flat angles C4'-P-C4' energy: -136.664 flat angles P-C4'-P energy: -97.964 tors. eta vs tors. theta energy: -179.410 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: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2057.472797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.472797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.472797 (E_RNA) where: Base-Base interactions energy: -1414.287 where: short stacking energy: -594.610 Base-Backbone interact. energy: -2.024 local terms energy: -641.161967 where: bonds (distance) C4'-P energy: -130.911 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -126.761 flat angles P-C4'-P energy: -96.087 tors. eta vs tors. theta energy: -168.377 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: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2095.582878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.582878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.582878 (E_RNA) where: Base-Base interactions energy: -1485.077 where: short stacking energy: -600.876 Base-Backbone interact. energy: 1.903 local terms energy: -612.408558 where: bonds (distance) C4'-P energy: -113.648 bonds (distance) P-C4' energy: -117.426 flat angles C4'-P-C4' energy: -144.454 flat angles P-C4'-P energy: -76.421 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: 6, replica: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1902.236357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.236357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.236357 (E_RNA) where: Base-Base interactions energy: -1330.798 where: short stacking energy: -576.603 Base-Backbone interact. energy: -1.467 local terms energy: -569.971407 where: bonds (distance) C4'-P energy: -95.312 bonds (distance) P-C4' energy: -102.706 flat angles C4'-P-C4' energy: -138.174 flat angles P-C4'-P energy: -81.969 tors. eta vs tors. theta energy: -151.811 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: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1679.754655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.754655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.754655 (E_RNA) where: Base-Base interactions energy: -1130.429 where: short stacking energy: -511.400 Base-Backbone interact. energy: -2.463 local terms energy: -546.862650 where: bonds (distance) C4'-P energy: -104.751 bonds (distance) P-C4' energy: -104.368 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -85.128 tors. eta vs tors. theta energy: -114.570 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: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1370.049257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.049257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.049257 (E_RNA) where: Base-Base interactions energy: -916.362 where: short stacking energy: -397.895 Base-Backbone interact. energy: -1.974 local terms energy: -451.713962 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -111.266 flat angles C4'-P-C4' energy: -112.862 flat angles P-C4'-P energy: -74.256 tors. eta vs tors. theta energy: -70.418 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: 2 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -987.676155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.676155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.676155 (E_RNA) where: Base-Base interactions energy: -560.966 where: short stacking energy: -291.814 Base-Backbone interact. energy: -0.155 local terms energy: -426.555464 where: bonds (distance) C4'-P energy: -95.452 bonds (distance) P-C4' energy: -111.011 flat angles C4'-P-C4' energy: -102.261 flat angles P-C4'-P energy: -64.933 tors. eta vs tors. theta energy: -52.898 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: 470 Temperature: 1.350000 Total energy: -913.642354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.642354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.642354 (E_RNA) where: Base-Base interactions energy: -563.932 where: short stacking energy: -264.724 Base-Backbone interact. energy: -0.039 local terms energy: -349.671370 where: bonds (distance) C4'-P energy: -86.961 bonds (distance) P-C4' energy: -106.602 flat angles C4'-P-C4' energy: -110.467 flat angles P-C4'-P energy: -34.664 tors. eta vs tors. theta energy: -10.978 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: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -2454.099582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.099582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.099582 (E_RNA) where: Base-Base interactions energy: -1723.083 where: short stacking energy: -717.844 Base-Backbone interact. energy: -3.202 local terms energy: -727.814493 where: bonds (distance) C4'-P energy: -134.719 bonds (distance) P-C4' energy: -133.690 flat angles C4'-P-C4' energy: -143.658 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -208.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2336.059359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.059359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.059359 (E_RNA) where: Base-Base interactions energy: -1661.650 where: short stacking energy: -688.889 Base-Backbone interact. energy: -0.478 local terms energy: -673.930879 where: bonds (distance) C4'-P energy: -109.026 bonds (distance) P-C4' energy: -111.834 flat angles C4'-P-C4' energy: -152.605 flat angles P-C4'-P energy: -108.772 tors. eta vs tors. theta energy: -191.694 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: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2274.950613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.950613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.950613 (E_RNA) where: Base-Base interactions energy: -1608.002 where: short stacking energy: -658.145 Base-Backbone interact. energy: -4.001 local terms energy: -662.948385 where: bonds (distance) C4'-P energy: -119.039 bonds (distance) P-C4' energy: -121.929 flat angles C4'-P-C4' energy: -159.242 flat angles P-C4'-P energy: -82.936 tors. eta vs tors. theta energy: -179.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2118.677535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.677535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.677535 (E_RNA) where: Base-Base interactions energy: -1449.993 where: short stacking energy: -604.003 Base-Backbone interact. energy: -3.715 local terms energy: -664.970007 where: bonds (distance) C4'-P energy: -123.926 bonds (distance) P-C4' energy: -133.814 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -167.842 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: 471 Temperature: 1.100000 Total energy: -2070.456784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.456784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.456784 (E_RNA) where: Base-Base interactions energy: -1414.412 where: short stacking energy: -593.107 Base-Backbone interact. energy: -2.463 local terms energy: -653.582176 where: bonds (distance) C4'-P energy: -107.156 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -146.560 flat angles P-C4'-P energy: -98.981 tors. eta vs tors. theta energy: -170.167 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: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1911.598564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.598564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.598564 (E_RNA) where: Base-Base interactions energy: -1309.339 where: short stacking energy: -582.177 Base-Backbone interact. energy: -2.258 local terms energy: -600.001877 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -115.774 flat angles C4'-P-C4' energy: -120.460 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -163.953 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: 7, replica: 10 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1643.918366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.918366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.918366 (E_RNA) where: Base-Base interactions energy: -1081.334 where: short stacking energy: -467.493 Base-Backbone interact. energy: -1.884 local terms energy: -560.700528 where: bonds (distance) C4'-P energy: -103.327 bonds (distance) P-C4' energy: -131.844 flat angles C4'-P-C4' energy: -128.338 flat angles P-C4'-P energy: -75.485 tors. eta vs tors. theta energy: -121.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1488.139963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.139963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.139963 (E_RNA) where: Base-Base interactions energy: -1011.972 where: short stacking energy: -425.861 Base-Backbone interact. energy: -0.921 local terms energy: -475.246168 where: bonds (distance) C4'-P energy: -97.264 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -112.861 flat angles P-C4'-P energy: -76.353 tors. eta vs tors. theta energy: -93.349 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: 2 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1019.567068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.567068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.567068 (E_RNA) where: Base-Base interactions energy: -599.851 where: short stacking energy: -305.587 Base-Backbone interact. energy: -1.965 local terms energy: -417.751308 where: bonds (distance) C4'-P energy: -98.627 bonds (distance) P-C4' energy: -108.727 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -60.359 tors. eta vs tors. theta energy: -41.427 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: 471 Temperature: 1.350000 Total energy: -849.128248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.128248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.128248 (E_RNA) where: Base-Base interactions energy: -467.500 where: short stacking energy: -245.593 Base-Backbone interact. energy: -1.223 local terms energy: -380.404972 where: bonds (distance) C4'-P energy: -110.239 bonds (distance) P-C4' energy: -111.595 flat angles C4'-P-C4' energy: -105.932 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -4.599 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: 1, replica: 5 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -2445.202688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.202688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.202688 (E_RNA) where: Base-Base interactions energy: -1708.366 where: short stacking energy: -715.046 Base-Backbone interact. energy: -3.759 local terms energy: -733.078327 where: bonds (distance) C4'-P energy: -126.962 bonds (distance) P-C4' energy: -135.764 flat angles C4'-P-C4' energy: -149.746 flat angles P-C4'-P energy: -112.018 tors. eta vs tors. theta energy: -208.588 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: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2291.718709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.718709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.718709 (E_RNA) where: Base-Base interactions energy: -1624.458 where: short stacking energy: -675.267 Base-Backbone interact. energy: -1.108 local terms energy: -666.153211 where: bonds (distance) C4'-P energy: -115.630 bonds (distance) P-C4' energy: -129.053 flat angles C4'-P-C4' energy: -144.963 flat angles P-C4'-P energy: -95.309 tors. eta vs tors. theta energy: -181.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2251.908055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.908055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.908055 (E_RNA) where: Base-Base interactions energy: -1596.588 where: short stacking energy: -651.680 Base-Backbone interact. energy: -2.346 local terms energy: -652.973474 where: bonds (distance) C4'-P energy: -118.813 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -152.041 flat angles P-C4'-P energy: -90.250 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: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2111.395739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.395739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.395739 (E_RNA) where: Base-Base interactions energy: -1484.261 where: short stacking energy: -614.170 Base-Backbone interact. energy: -1.785 local terms energy: -625.348920 where: bonds (distance) C4'-P energy: -116.909 bonds (distance) P-C4' energy: -133.014 flat angles C4'-P-C4' energy: -135.543 flat angles P-C4'-P energy: -83.461 tors. eta vs tors. theta energy: -156.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2044.336875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.336875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.336875 (E_RNA) where: Base-Base interactions energy: -1420.881 where: short stacking energy: -585.559 Base-Backbone interact. energy: -1.071 local terms energy: -622.385203 where: bonds (distance) C4'-P energy: -126.375 bonds (distance) P-C4' energy: -116.289 flat angles C4'-P-C4' energy: -132.643 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -167.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1916.568243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.568243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.568243 (E_RNA) where: Base-Base interactions energy: -1334.651 where: short stacking energy: -587.871 Base-Backbone interact. energy: -0.806 local terms energy: -581.111023 where: bonds (distance) C4'-P energy: -102.769 bonds (distance) P-C4' energy: -92.303 flat angles C4'-P-C4' energy: -139.948 flat angles P-C4'-P energy: -78.157 tors. eta vs tors. theta energy: -167.934 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: 10 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1637.934312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.934312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.934312 (E_RNA) where: Base-Base interactions energy: -1119.810 where: short stacking energy: -493.622 Base-Backbone interact. energy: -1.284 local terms energy: -516.840750 where: bonds (distance) C4'-P energy: -105.842 bonds (distance) P-C4' energy: -98.875 flat angles C4'-P-C4' energy: -119.322 flat angles P-C4'-P energy: -71.054 tors. eta vs tors. theta energy: -121.748 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: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1546.787065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.787065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.787065 (E_RNA) where: Base-Base interactions energy: -1000.058 where: short stacking energy: -426.907 Base-Backbone interact. energy: -7.050 local terms energy: -539.679129 where: bonds (distance) C4'-P energy: -110.125 bonds (distance) P-C4' energy: -133.026 flat angles C4'-P-C4' energy: -127.210 flat angles P-C4'-P energy: -72.624 tors. eta vs tors. theta energy: -96.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1067.484597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.484597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.484597 (E_RNA) where: Base-Base interactions energy: -643.585 where: short stacking energy: -302.167 Base-Backbone interact. energy: -1.310 local terms energy: -422.590119 where: bonds (distance) C4'-P energy: -107.145 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -126.148 flat angles P-C4'-P energy: -56.316 tors. eta vs tors. theta energy: -32.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -781.851960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.851960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.851960 (E_RNA) where: Base-Base interactions energy: -409.850 where: short stacking energy: -233.175 Base-Backbone interact. energy: -0.110 local terms energy: -371.892411 where: bonds (distance) C4'-P energy: -101.700 bonds (distance) P-C4' energy: -122.423 flat angles C4'-P-C4' energy: -86.518 flat angles P-C4'-P energy: -54.832 tors. eta vs tors. theta energy: -6.420 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: 1, replica: 5 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -2440.328309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.328309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.328309 (E_RNA) where: Base-Base interactions energy: -1717.721 where: short stacking energy: -690.550 Base-Backbone interact. energy: -0.705 local terms energy: -721.902927 where: bonds (distance) C4'-P energy: -141.217 bonds (distance) P-C4' energy: -136.836 flat angles C4'-P-C4' energy: -148.898 flat angles P-C4'-P energy: -94.219 tors. eta vs tors. theta energy: -200.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2308.373388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.373388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.373388 (E_RNA) where: Base-Base interactions energy: -1633.231 where: short stacking energy: -667.465 Base-Backbone interact. energy: -3.450 local terms energy: -671.692897 where: bonds (distance) C4'-P energy: -111.828 bonds (distance) P-C4' energy: -129.596 flat angles C4'-P-C4' energy: -144.570 flat angles P-C4'-P energy: -103.228 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: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2217.891885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.891885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.891885 (E_RNA) where: Base-Base interactions energy: -1548.908 where: short stacking energy: -636.069 Base-Backbone interact. energy: -2.111 local terms energy: -666.873566 where: bonds (distance) C4'-P energy: -119.169 bonds (distance) P-C4' energy: -126.477 flat angles C4'-P-C4' energy: -145.326 flat angles P-C4'-P energy: -102.434 tors. eta vs tors. theta energy: -173.468 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: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2063.045141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.045141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.045141 (E_RNA) where: Base-Base interactions energy: -1445.188 where: short stacking energy: -594.002 Base-Backbone interact. energy: -3.079 local terms energy: -614.778024 where: bonds (distance) C4'-P energy: -96.928 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -149.693 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -153.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2067.136061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.136061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.136061 (E_RNA) where: Base-Base interactions energy: -1462.313 where: short stacking energy: -610.066 Base-Backbone interact. energy: -0.813 local terms energy: -604.010452 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -117.214 flat angles C4'-P-C4' energy: -128.237 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -158.250 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: 6, replica: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1903.638303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.638303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.638303 (E_RNA) where: Base-Base interactions energy: -1291.027 where: short stacking energy: -570.507 Base-Backbone interact. energy: 1.529 local terms energy: -614.139911 where: bonds (distance) C4'-P energy: -118.600 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -103.523 tors. eta vs tors. theta energy: -159.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1660.713976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.713976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.713976 (E_RNA) where: Base-Base interactions energy: -1121.426 where: short stacking energy: -481.492 Base-Backbone interact. energy: 3.620 local terms energy: -542.908843 where: bonds (distance) C4'-P energy: -108.748 bonds (distance) P-C4' energy: -113.549 flat angles C4'-P-C4' energy: -120.730 flat angles P-C4'-P energy: -75.442 tors. eta vs tors. theta energy: -124.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1586.643743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.643743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.643743 (E_RNA) where: Base-Base interactions energy: -1075.866 where: short stacking energy: -459.194 Base-Backbone interact. energy: -1.568 local terms energy: -509.209602 where: bonds (distance) C4'-P energy: -103.631 bonds (distance) P-C4' energy: -106.294 flat angles C4'-P-C4' energy: -121.311 flat angles P-C4'-P energy: -78.254 tors. eta vs tors. theta energy: -99.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1011.572333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.572333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.572333 (E_RNA) where: Base-Base interactions energy: -609.062 where: short stacking energy: -318.932 Base-Backbone interact. energy: 2.853 local terms energy: -405.362747 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -112.825 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -42.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -818.889174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.889174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.889174 (E_RNA) where: Base-Base interactions energy: -449.609 where: short stacking energy: -218.388 Base-Backbone interact. energy: -0.882 local terms energy: -368.399024 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -106.296 flat angles C4'-P-C4' energy: -104.153 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: 4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -2440.041681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.041681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.041681 (E_RNA) where: Base-Base interactions energy: -1711.033 where: short stacking energy: -703.789 Base-Backbone interact. energy: -1.994 local terms energy: -727.015489 where: bonds (distance) C4'-P energy: -137.255 bonds (distance) P-C4' energy: -121.240 flat angles C4'-P-C4' energy: -153.048 flat angles P-C4'-P energy: -115.933 tors. eta vs tors. theta energy: -199.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2314.826616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.826616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.826616 (E_RNA) where: Base-Base interactions energy: -1633.651 where: short stacking energy: -687.249 Base-Backbone interact. energy: -3.756 local terms energy: -677.420358 where: bonds (distance) C4'-P energy: -110.618 bonds (distance) P-C4' energy: -132.962 flat angles C4'-P-C4' energy: -150.849 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -180.811 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: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2258.173025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.173025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.173025 (E_RNA) where: Base-Base interactions energy: -1599.957 where: short stacking energy: -657.604 Base-Backbone interact. energy: -0.118 local terms energy: -658.098003 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -119.140 flat angles C4'-P-C4' energy: -143.164 flat angles P-C4'-P energy: -87.975 tors. eta vs tors. theta energy: -175.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2102.790248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.790248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.790248 (E_RNA) where: Base-Base interactions energy: -1492.654 where: short stacking energy: -649.866 Base-Backbone interact. energy: 7.091 local terms energy: -617.227435 where: bonds (distance) C4'-P energy: -103.447 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -142.380 flat angles P-C4'-P energy: -82.896 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: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2035.039433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.039433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.039433 (E_RNA) where: Base-Base interactions energy: -1421.894 where: short stacking energy: -547.826 Base-Backbone interact. energy: -0.858 local terms energy: -612.286940 where: bonds (distance) C4'-P energy: -127.472 bonds (distance) P-C4' energy: -102.104 flat angles C4'-P-C4' energy: -138.400 flat angles P-C4'-P energy: -93.032 tors. eta vs tors. theta energy: -151.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1905.190120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.190120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.190120 (E_RNA) where: Base-Base interactions energy: -1311.306 where: short stacking energy: -576.812 Base-Backbone interact. energy: -1.600 local terms energy: -592.283665 where: bonds (distance) C4'-P energy: -109.254 bonds (distance) P-C4' energy: -131.067 flat angles C4'-P-C4' energy: -127.920 flat angles P-C4'-P energy: -65.813 tors. eta vs tors. theta energy: -158.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1637.480460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.480460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.480460 (E_RNA) where: Base-Base interactions energy: -1079.225 where: short stacking energy: -466.261 Base-Backbone interact. energy: 9.521 local terms energy: -567.777137 where: bonds (distance) C4'-P energy: -108.045 bonds (distance) P-C4' energy: -122.834 flat angles C4'-P-C4' energy: -123.703 flat angles P-C4'-P energy: -83.508 tors. eta vs tors. theta energy: -129.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1556.367640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.367640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.367640 (E_RNA) where: Base-Base interactions energy: -1050.802 where: short stacking energy: -464.934 Base-Backbone interact. energy: -1.180 local terms energy: -504.385201 where: bonds (distance) C4'-P energy: -104.973 bonds (distance) P-C4' energy: -109.735 flat angles C4'-P-C4' energy: -123.829 flat angles P-C4'-P energy: -56.300 tors. eta vs tors. theta energy: -109.548 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: 9, replica: 2 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1074.446983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.446983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.446983 (E_RNA) where: Base-Base interactions energy: -621.256 where: short stacking energy: -314.595 Base-Backbone interact. energy: -1.621 local terms energy: -451.569608 where: bonds (distance) C4'-P energy: -103.540 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -113.956 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -49.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -826.946227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.946227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.946227 (E_RNA) where: Base-Base interactions energy: -445.921 where: short stacking energy: -235.307 Base-Backbone interact. energy: 1.601 local terms energy: -382.626389 where: bonds (distance) C4'-P energy: -109.470 bonds (distance) P-C4' energy: -109.806 flat angles C4'-P-C4' energy: -94.201 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -22.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -2442.980607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.980607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.980607 (E_RNA) where: Base-Base interactions energy: -1743.924 where: short stacking energy: -719.796 Base-Backbone interact. energy: 0.180 local terms energy: -699.236121 where: bonds (distance) C4'-P energy: -123.914 bonds (distance) P-C4' energy: -127.371 flat angles C4'-P-C4' energy: -150.143 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -201.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2329.568695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.568695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.568695 (E_RNA) where: Base-Base interactions energy: -1639.382 where: short stacking energy: -679.981 Base-Backbone interact. energy: 0.876 local terms energy: -691.062878 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -123.123 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -94.691 tors. eta vs tors. theta energy: -191.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2223.783792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.783792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.783792 (E_RNA) where: Base-Base interactions energy: -1570.395 where: short stacking energy: -630.999 Base-Backbone interact. energy: -2.993 local terms energy: -650.395674 where: bonds (distance) C4'-P energy: -121.491 bonds (distance) P-C4' energy: -115.551 flat angles C4'-P-C4' energy: -137.294 flat angles P-C4'-P energy: -97.953 tors. eta vs tors. theta energy: -178.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2130.206713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.206713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.206713 (E_RNA) where: Base-Base interactions energy: -1449.732 where: short stacking energy: -624.207 Base-Backbone interact. energy: 2.577 local terms energy: -683.051710 where: bonds (distance) C4'-P energy: -122.978 bonds (distance) P-C4' energy: -131.068 flat angles C4'-P-C4' energy: -149.997 flat angles P-C4'-P energy: -98.469 tors. eta vs tors. theta energy: -180.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2039.500496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.500496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.500496 (E_RNA) where: Base-Base interactions energy: -1468.124 where: short stacking energy: -598.005 Base-Backbone interact. energy: 1.964 local terms energy: -573.341300 where: bonds (distance) C4'-P energy: -124.079 bonds (distance) P-C4' energy: -121.205 flat angles C4'-P-C4' energy: -121.516 flat angles P-C4'-P energy: -70.793 tors. eta vs tors. theta energy: -135.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1895.018373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.018373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.018373 (E_RNA) where: Base-Base interactions energy: -1305.896 where: short stacking energy: -566.301 Base-Backbone interact. energy: -2.230 local terms energy: -586.892529 where: bonds (distance) C4'-P energy: -109.573 bonds (distance) P-C4' energy: -109.500 flat angles C4'-P-C4' energy: -133.876 flat angles P-C4'-P energy: -82.592 tors. eta vs tors. theta energy: -151.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1636.605478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.605478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.605478 (E_RNA) where: Base-Base interactions energy: -1096.469 where: short stacking energy: -471.252 Base-Backbone interact. energy: 2.939 local terms energy: -543.075330 where: bonds (distance) C4'-P energy: -120.002 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -72.455 tors. eta vs tors. theta energy: -126.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1521.271566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.271566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.271566 (E_RNA) where: Base-Base interactions energy: -1026.068 where: short stacking energy: -425.905 Base-Backbone interact. energy: -1.571 local terms energy: -493.632064 where: bonds (distance) C4'-P energy: -107.716 bonds (distance) P-C4' energy: -102.300 flat angles C4'-P-C4' energy: -122.365 flat angles P-C4'-P energy: -76.538 tors. eta vs tors. theta energy: -84.712 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: 9, replica: 2 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1020.979300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.979300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.979300 (E_RNA) where: Base-Base interactions energy: -614.864 where: short stacking energy: -311.423 Base-Backbone interact. energy: -2.335 local terms energy: -403.780392 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -99.656 flat angles C4'-P-C4' energy: -102.489 flat angles P-C4'-P energy: -63.592 tors. eta vs tors. theta energy: -39.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -825.488166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.488166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.488166 (E_RNA) where: Base-Base interactions energy: -438.716 where: short stacking energy: -215.756 Base-Backbone interact. energy: -1.424 local terms energy: -385.347911 where: bonds (distance) C4'-P energy: -126.318 bonds (distance) P-C4' energy: -119.437 flat angles C4'-P-C4' energy: -83.021 flat angles P-C4'-P energy: -48.434 tors. eta vs tors. theta energy: -8.138 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: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -2434.747622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.747622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.747622 (E_RNA) where: Base-Base interactions energy: -1719.941 where: short stacking energy: -697.089 Base-Backbone interact. energy: -3.741 local terms energy: -711.065776 where: bonds (distance) C4'-P energy: -134.710 bonds (distance) P-C4' energy: -127.260 flat angles C4'-P-C4' energy: -149.379 flat angles P-C4'-P energy: -105.978 tors. eta vs tors. theta energy: -193.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2328.813804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.813804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.813804 (E_RNA) where: Base-Base interactions energy: -1630.806 where: short stacking energy: -666.011 Base-Backbone interact. energy: -6.215 local terms energy: -691.792239 where: bonds (distance) C4'-P energy: -133.831 bonds (distance) P-C4' energy: -133.633 flat angles C4'-P-C4' energy: -140.457 flat angles P-C4'-P energy: -104.174 tors. eta vs tors. theta energy: -179.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2229.939992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.939992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.939992 (E_RNA) where: Base-Base interactions energy: -1597.259 where: short stacking energy: -644.178 Base-Backbone interact. energy: -2.314 local terms energy: -630.366751 where: bonds (distance) C4'-P energy: -114.313 bonds (distance) P-C4' energy: -123.193 flat angles C4'-P-C4' energy: -136.398 flat angles P-C4'-P energy: -86.476 tors. eta vs tors. theta energy: -169.987 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: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2113.308607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.308607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.308607 (E_RNA) where: Base-Base interactions energy: -1484.795 where: short stacking energy: -634.953 Base-Backbone interact. energy: 1.702 local terms energy: -630.215763 where: bonds (distance) C4'-P energy: -119.321 bonds (distance) P-C4' energy: -136.187 flat angles C4'-P-C4' energy: -134.250 flat angles P-C4'-P energy: -61.052 tors. eta vs tors. theta energy: -179.405 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: 5, replica: 6 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2018.688004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.688004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.688004 (E_RNA) where: Base-Base interactions energy: -1448.918 where: short stacking energy: -558.968 Base-Backbone interact. energy: -2.066 local terms energy: -567.703508 where: bonds (distance) C4'-P energy: -99.900 bonds (distance) P-C4' energy: -115.543 flat angles C4'-P-C4' energy: -122.220 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -160.891 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: 3 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1915.512717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.512717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.512717 (E_RNA) where: Base-Base interactions energy: -1319.414 where: short stacking energy: -590.340 Base-Backbone interact. energy: -3.063 local terms energy: -593.036168 where: bonds (distance) C4'-P energy: -108.817 bonds (distance) P-C4' energy: -118.049 flat angles C4'-P-C4' energy: -127.033 flat angles P-C4'-P energy: -86.073 tors. eta vs tors. theta energy: -153.065 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: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1613.280610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.280610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.280610 (E_RNA) where: Base-Base interactions energy: -1083.499 where: short stacking energy: -457.282 Base-Backbone interact. energy: 1.432 local terms energy: -531.213828 where: bonds (distance) C4'-P energy: -106.745 bonds (distance) P-C4' energy: -118.441 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -79.275 tors. eta vs tors. theta energy: -109.156 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: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1399.308245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.308245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.308245 (E_RNA) where: Base-Base interactions energy: -925.334 where: short stacking energy: -396.723 Base-Backbone interact. energy: 0.800 local terms energy: -474.773973 where: bonds (distance) C4'-P energy: -115.099 bonds (distance) P-C4' energy: -103.045 flat angles C4'-P-C4' energy: -117.819 flat angles P-C4'-P energy: -68.607 tors. eta vs tors. theta energy: -70.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1039.187074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.187074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.187074 (E_RNA) where: Base-Base interactions energy: -638.220 where: short stacking energy: -308.898 Base-Backbone interact. energy: -3.170 local terms energy: -397.796778 where: bonds (distance) C4'-P energy: -99.739 bonds (distance) P-C4' energy: -114.451 flat angles C4'-P-C4' energy: -88.121 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -37.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -870.426712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.426712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.426712 (E_RNA) where: Base-Base interactions energy: -475.284 where: short stacking energy: -268.016 Base-Backbone interact. energy: 3.043 local terms energy: -398.185254 where: bonds (distance) C4'-P energy: -96.448 bonds (distance) P-C4' energy: -115.907 flat angles C4'-P-C4' energy: -110.178 flat angles P-C4'-P energy: -54.612 tors. eta vs tors. theta energy: -21.040 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: 477 Temperature: 0.900000 Total energy: -2459.790548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.790548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.790548 (E_RNA) where: Base-Base interactions energy: -1731.209 where: short stacking energy: -710.047 Base-Backbone interact. energy: 0.274 local terms energy: -728.855588 where: bonds (distance) C4'-P energy: -135.635 bonds (distance) P-C4' energy: -131.129 flat angles C4'-P-C4' energy: -152.175 flat angles P-C4'-P energy: -111.383 tors. eta vs tors. theta energy: -198.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2320.531877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.531877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.531877 (E_RNA) where: Base-Base interactions energy: -1643.341 where: short stacking energy: -671.866 Base-Backbone interact. energy: 0.654 local terms energy: -677.844829 where: bonds (distance) C4'-P energy: -121.055 bonds (distance) P-C4' energy: -133.118 flat angles C4'-P-C4' energy: -139.754 flat angles P-C4'-P energy: -105.951 tors. eta vs tors. theta energy: -177.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2195.594053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.594053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.594053 (E_RNA) where: Base-Base interactions energy: -1535.225 where: short stacking energy: -650.644 Base-Backbone interact. energy: -1.574 local terms energy: -658.795217 where: bonds (distance) C4'-P energy: -118.016 bonds (distance) P-C4' energy: -133.969 flat angles C4'-P-C4' energy: -144.543 flat angles P-C4'-P energy: -84.229 tors. eta vs tors. theta energy: -178.038 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: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2102.796752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.796752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.796752 (E_RNA) where: Base-Base interactions energy: -1482.237 where: short stacking energy: -601.218 Base-Backbone interact. energy: -2.696 local terms energy: -617.863947 where: bonds (distance) C4'-P energy: -119.814 bonds (distance) P-C4' energy: -122.100 flat angles C4'-P-C4' energy: -131.699 flat angles P-C4'-P energy: -87.907 tors. eta vs tors. theta energy: -156.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2078.621552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.621552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.621552 (E_RNA) where: Base-Base interactions energy: -1437.497 where: short stacking energy: -621.340 Base-Backbone interact. energy: -1.067 local terms energy: -640.057546 where: bonds (distance) C4'-P energy: -126.810 bonds (distance) P-C4' energy: -113.982 flat angles C4'-P-C4' energy: -127.064 flat angles P-C4'-P energy: -99.407 tors. eta vs tors. theta energy: -172.794 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: 6, replica: 3 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1903.896034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.896034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.896034 (E_RNA) where: Base-Base interactions energy: -1321.141 where: short stacking energy: -565.719 Base-Backbone interact. energy: -2.088 local terms energy: -580.666912 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -115.555 flat angles C4'-P-C4' energy: -124.837 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -163.301 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: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1561.327977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.327977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.327977 (E_RNA) where: Base-Base interactions energy: -1059.265 where: short stacking energy: -464.335 Base-Backbone interact. energy: -4.155 local terms energy: -497.907593 where: bonds (distance) C4'-P energy: -95.068 bonds (distance) P-C4' energy: -104.047 flat angles C4'-P-C4' energy: -128.434 flat angles P-C4'-P energy: -66.394 tors. eta vs tors. theta energy: -103.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1408.581390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.581390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.581390 (E_RNA) where: Base-Base interactions energy: -945.686 where: short stacking energy: -413.998 Base-Backbone interact. energy: -2.740 local terms energy: -460.155346 where: bonds (distance) C4'-P energy: -81.816 bonds (distance) P-C4' energy: -114.121 flat angles C4'-P-C4' energy: -119.660 flat angles P-C4'-P energy: -70.005 tors. eta vs tors. theta energy: -74.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1021.044724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.044724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.044724 (E_RNA) where: Base-Base interactions energy: -615.768 where: short stacking energy: -306.405 Base-Backbone interact. energy: -0.990 local terms energy: -404.286203 where: bonds (distance) C4'-P energy: -102.653 bonds (distance) P-C4' energy: -105.237 flat angles C4'-P-C4' energy: -108.783 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -31.569 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: 477 Temperature: 1.350000 Total energy: -820.227349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.227349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.227349 (E_RNA) where: Base-Base interactions energy: -436.493 where: short stacking energy: -225.046 Base-Backbone interact. energy: 5.235 local terms energy: -388.969449 where: bonds (distance) C4'-P energy: -93.196 bonds (distance) P-C4' energy: -115.629 flat angles C4'-P-C4' energy: -100.847 flat angles P-C4'-P energy: -77.910 tors. eta vs tors. theta energy: -1.388 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: 478 Temperature: 0.900000 Total energy: -2449.550474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.550474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.550474 (E_RNA) where: Base-Base interactions energy: -1730.257 where: short stacking energy: -720.629 Base-Backbone interact. energy: -3.510 local terms energy: -715.782878 where: bonds (distance) C4'-P energy: -134.414 bonds (distance) P-C4' energy: -134.922 flat angles C4'-P-C4' energy: -159.891 flat angles P-C4'-P energy: -97.702 tors. eta vs tors. theta energy: -188.854 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: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2308.085607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.085607 (E_RNA) where: Base-Base interactions energy: -1642.933 where: short stacking energy: -684.319 Base-Backbone interact. energy: -0.601 local terms energy: -664.551548 where: bonds (distance) C4'-P energy: -121.320 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -140.147 flat angles P-C4'-P energy: -95.533 tors. eta vs tors. theta energy: -187.587 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: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2184.910037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.910037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.910037 (E_RNA) where: Base-Base interactions energy: -1546.533 where: short stacking energy: -649.875 Base-Backbone interact. energy: 3.296 local terms energy: -641.673076 where: bonds (distance) C4'-P energy: -118.969 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -133.585 flat angles P-C4'-P energy: -92.459 tors. eta vs tors. theta energy: -161.785 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: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2108.339493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.339493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.339493 (E_RNA) where: Base-Base interactions energy: -1482.394 where: short stacking energy: -569.640 Base-Backbone interact. energy: -2.964 local terms energy: -622.981363 where: bonds (distance) C4'-P energy: -122.549 bonds (distance) P-C4' energy: -121.795 flat angles C4'-P-C4' energy: -139.354 flat angles P-C4'-P energy: -94.732 tors. eta vs tors. theta energy: -144.551 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: 5, replica: 1 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2037.455980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.455980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.455980 (E_RNA) where: Base-Base interactions energy: -1434.594 where: short stacking energy: -624.792 Base-Backbone interact. energy: -1.845 local terms energy: -601.017109 where: bonds (distance) C4'-P energy: -111.881 bonds (distance) P-C4' energy: -102.239 flat angles C4'-P-C4' energy: -136.916 flat angles P-C4'-P energy: -83.551 tors. eta vs tors. theta energy: -166.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1853.268193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.268193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.268193 (E_RNA) where: Base-Base interactions energy: -1272.143 where: short stacking energy: -533.861 Base-Backbone interact. energy: -1.987 local terms energy: -579.138683 where: bonds (distance) C4'-P energy: -113.686 bonds (distance) P-C4' energy: -104.969 flat angles C4'-P-C4' energy: -127.517 flat angles P-C4'-P energy: -86.426 tors. eta vs tors. theta energy: -146.540 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: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1547.326452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.326452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.326452 (E_RNA) where: Base-Base interactions energy: -1055.259 where: short stacking energy: -439.008 Base-Backbone interact. energy: 9.985 local terms energy: -502.052082 where: bonds (distance) C4'-P energy: -95.044 bonds (distance) P-C4' energy: -108.721 flat angles C4'-P-C4' energy: -114.350 flat angles P-C4'-P energy: -84.571 tors. eta vs tors. theta energy: -99.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1317.039463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.039463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.039463 (E_RNA) where: Base-Base interactions energy: -852.640 where: short stacking energy: -387.338 Base-Backbone interact. energy: -5.040 local terms energy: -459.359496 where: bonds (distance) C4'-P energy: -112.928 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -96.205 flat angles P-C4'-P energy: -69.505 tors. eta vs tors. theta energy: -79.768 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: 2 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1052.757641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.757641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.757641 (E_RNA) where: Base-Base interactions energy: -632.738 where: short stacking energy: -292.246 Base-Backbone interact. energy: -0.830 local terms energy: -419.189691 where: bonds (distance) C4'-P energy: -101.746 bonds (distance) P-C4' energy: -107.585 flat angles C4'-P-C4' energy: -109.283 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -31.540 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: 478 Temperature: 1.350000 Total energy: -774.925320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.925320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.925320 (E_RNA) where: Base-Base interactions energy: -417.460 where: short stacking energy: -205.692 Base-Backbone interact. energy: -1.906 local terms energy: -355.559556 where: bonds (distance) C4'-P energy: -78.912 bonds (distance) P-C4' energy: -118.077 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -3.685 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: 1, replica: 5 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -2431.851338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.851338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.851338 (E_RNA) where: Base-Base interactions energy: -1726.744 where: short stacking energy: -694.002 Base-Backbone interact. energy: -1.258 local terms energy: -703.849151 where: bonds (distance) C4'-P energy: -126.236 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -147.591 flat angles P-C4'-P energy: -104.029 tors. eta vs tors. theta energy: -193.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2324.332029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.332029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.332029 (E_RNA) where: Base-Base interactions energy: -1632.356 where: short stacking energy: -681.009 Base-Backbone interact. energy: -2.920 local terms energy: -689.056095 where: bonds (distance) C4'-P energy: -135.404 bonds (distance) P-C4' energy: -122.920 flat angles C4'-P-C4' energy: -143.610 flat angles P-C4'-P energy: -98.403 tors. eta vs tors. theta energy: -188.719 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: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2224.956055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.956055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.956055 (E_RNA) where: Base-Base interactions energy: -1580.207 where: short stacking energy: -656.707 Base-Backbone interact. energy: -4.825 local terms energy: -639.923965 where: bonds (distance) C4'-P energy: -114.255 bonds (distance) P-C4' energy: -119.108 flat angles C4'-P-C4' energy: -148.296 flat angles P-C4'-P energy: -87.412 tors. eta vs tors. theta energy: -170.853 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: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2169.429183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.429183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.429183 (E_RNA) where: Base-Base interactions energy: -1524.493 where: short stacking energy: -626.345 Base-Backbone interact. energy: -2.233 local terms energy: -642.703271 where: bonds (distance) C4'-P energy: -116.501 bonds (distance) P-C4' energy: -114.211 flat angles C4'-P-C4' energy: -146.694 flat angles P-C4'-P energy: -99.459 tors. eta vs tors. theta energy: -165.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2069.346219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.346219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.346219 (E_RNA) where: Base-Base interactions energy: -1426.510 where: short stacking energy: -596.107 Base-Backbone interact. energy: -1.587 local terms energy: -641.249742 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -137.443 flat angles C4'-P-C4' energy: -132.258 flat angles P-C4'-P energy: -83.009 tors. eta vs tors. theta energy: -166.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1871.201116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.201116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.201116 (E_RNA) where: Base-Base interactions energy: -1304.031 where: short stacking energy: -550.514 Base-Backbone interact. energy: 5.898 local terms energy: -573.068138 where: bonds (distance) C4'-P energy: -118.516 bonds (distance) P-C4' energy: -110.375 flat angles C4'-P-C4' energy: -130.007 flat angles P-C4'-P energy: -79.662 tors. eta vs tors. theta energy: -134.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1638.571743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.571743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.571743 (E_RNA) where: Base-Base interactions energy: -1134.009 where: short stacking energy: -491.915 Base-Backbone interact. energy: -2.058 local terms energy: -502.505186 where: bonds (distance) C4'-P energy: -114.322 bonds (distance) P-C4' energy: -108.274 flat angles C4'-P-C4' energy: -98.258 flat angles P-C4'-P energy: -66.280 tors. eta vs tors. theta energy: -115.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1366.231459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.231459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.231459 (E_RNA) where: Base-Base interactions energy: -871.424 where: short stacking energy: -385.278 Base-Backbone interact. energy: -0.039 local terms energy: -494.768574 where: bonds (distance) C4'-P energy: -109.095 bonds (distance) P-C4' energy: -121.832 flat angles C4'-P-C4' energy: -113.023 flat angles P-C4'-P energy: -72.311 tors. eta vs tors. theta energy: -78.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1014.752037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.752037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.752037 (E_RNA) where: Base-Base interactions energy: -604.099 where: short stacking energy: -304.278 Base-Backbone interact. energy: 3.031 local terms energy: -413.683863 where: bonds (distance) C4'-P energy: -105.347 bonds (distance) P-C4' energy: -99.565 flat angles C4'-P-C4' energy: -106.659 flat angles P-C4'-P energy: -70.327 tors. eta vs tors. theta energy: -31.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -790.977535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.977535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.977535 (E_RNA) where: Base-Base interactions energy: -429.922 where: short stacking energy: -246.789 Base-Backbone interact. energy: -2.074 local terms energy: -358.981338 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -100.263 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: 3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -2430.431023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.431023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.431023 (E_RNA) where: Base-Base interactions energy: -1699.940 where: short stacking energy: -703.518 Base-Backbone interact. energy: -2.163 local terms energy: -728.328326 where: bonds (distance) C4'-P energy: -132.527 bonds (distance) P-C4' energy: -138.161 flat angles C4'-P-C4' energy: -145.369 flat angles P-C4'-P energy: -112.864 tors. eta vs tors. theta energy: -199.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2320.619290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.619290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.619290 (E_RNA) where: Base-Base interactions energy: -1632.557 where: short stacking energy: -677.214 Base-Backbone interact. energy: -2.955 local terms energy: -685.107301 where: bonds (distance) C4'-P energy: -133.057 bonds (distance) P-C4' energy: -131.593 flat angles C4'-P-C4' energy: -150.396 flat angles P-C4'-P energy: -87.071 tors. eta vs tors. theta energy: -182.991 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: 3, replica: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2248.327973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.327973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.327973 (E_RNA) where: Base-Base interactions energy: -1584.870 where: short stacking energy: -648.263 Base-Backbone interact. energy: -3.329 local terms energy: -660.128308 where: bonds (distance) C4'-P energy: -120.562 bonds (distance) P-C4' energy: -137.227 flat angles C4'-P-C4' energy: -133.939 flat angles P-C4'-P energy: -89.950 tors. eta vs tors. theta energy: -178.450 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: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2149.445477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.445477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.445477 (E_RNA) where: Base-Base interactions energy: -1507.891 where: short stacking energy: -592.086 Base-Backbone interact. energy: -5.933 local terms energy: -635.621140 where: bonds (distance) C4'-P energy: -130.631 bonds (distance) P-C4' energy: -119.549 flat angles C4'-P-C4' energy: -141.457 flat angles P-C4'-P energy: -88.276 tors. eta vs tors. theta energy: -155.708 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: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2078.500101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.500101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.500101 (E_RNA) where: Base-Base interactions energy: -1473.864 where: short stacking energy: -612.703 Base-Backbone interact. energy: -2.042 local terms energy: -602.593944 where: bonds (distance) C4'-P energy: -120.060 bonds (distance) P-C4' energy: -115.286 flat angles C4'-P-C4' energy: -120.741 flat angles P-C4'-P energy: -78.150 tors. eta vs tors. theta energy: -168.356 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: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1885.442464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.442464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.442464 (E_RNA) where: Base-Base interactions energy: -1280.562 where: short stacking energy: -550.211 Base-Backbone interact. energy: -0.261 local terms energy: -604.619491 where: bonds (distance) C4'-P energy: -118.333 bonds (distance) P-C4' energy: -117.579 flat angles C4'-P-C4' energy: -124.692 flat angles P-C4'-P energy: -94.359 tors. eta vs tors. theta energy: -149.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1647.410855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.410855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.410855 (E_RNA) where: Base-Base interactions energy: -1124.385 where: short stacking energy: -477.354 Base-Backbone interact. energy: 1.082 local terms energy: -524.108093 where: bonds (distance) C4'-P energy: -104.716 bonds (distance) P-C4' energy: -118.405 flat angles C4'-P-C4' energy: -116.593 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -121.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1358.577210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.577210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.577210 (E_RNA) where: Base-Base interactions energy: -868.233 where: short stacking energy: -386.730 Base-Backbone interact. energy: -2.782 local terms energy: -487.561875 where: bonds (distance) C4'-P energy: -109.470 bonds (distance) P-C4' energy: -103.852 flat angles C4'-P-C4' energy: -125.389 flat angles P-C4'-P energy: -73.191 tors. eta vs tors. theta energy: -75.659 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: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -998.555783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.555783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.555783 (E_RNA) where: Base-Base interactions energy: -591.806 where: short stacking energy: -277.042 Base-Backbone interact. energy: 0.104 local terms energy: -406.853995 where: bonds (distance) C4'-P energy: -114.890 bonds (distance) P-C4' energy: -99.122 flat angles C4'-P-C4' energy: -108.173 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -38.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -833.607980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.607980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.607980 (E_RNA) where: Base-Base interactions energy: -456.437 where: short stacking energy: -245.718 Base-Backbone interact. energy: 2.382 local terms energy: -379.552514 where: bonds (distance) C4'-P energy: -94.470 bonds (distance) P-C4' energy: -100.594 flat angles C4'-P-C4' energy: -106.768 flat angles P-C4'-P energy: -62.012 tors. eta vs tors. theta energy: -15.709 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: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -2425.226747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.226747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.226747 (E_RNA) where: Base-Base interactions energy: -1708.426 where: short stacking energy: -710.571 Base-Backbone interact. energy: -2.165 local terms energy: -714.636273 where: bonds (distance) C4'-P energy: -143.898 bonds (distance) P-C4' energy: -138.742 flat angles C4'-P-C4' energy: -138.448 flat angles P-C4'-P energy: -98.387 tors. eta vs tors. theta energy: -195.161 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: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2306.924460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.924460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.924460 (E_RNA) where: Base-Base interactions energy: -1624.884 where: short stacking energy: -679.595 Base-Backbone interact. energy: -1.882 local terms energy: -680.158192 where: bonds (distance) C4'-P energy: -119.312 bonds (distance) P-C4' energy: -124.919 flat angles C4'-P-C4' energy: -154.736 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -182.085 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: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2257.791693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.791693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.791693 (E_RNA) where: Base-Base interactions energy: -1624.021 where: short stacking energy: -668.501 Base-Backbone interact. energy: -1.067 local terms energy: -632.703969 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -125.191 flat angles C4'-P-C4' energy: -129.202 flat angles P-C4'-P energy: -88.911 tors. eta vs tors. theta energy: -175.358 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: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2220.035431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.035431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.035431 (E_RNA) where: Base-Base interactions energy: -1578.094 where: short stacking energy: -635.295 Base-Backbone interact. energy: -2.652 local terms energy: -639.289281 where: bonds (distance) C4'-P energy: -118.448 bonds (distance) P-C4' energy: -127.900 flat angles C4'-P-C4' energy: -130.421 flat angles P-C4'-P energy: -92.425 tors. eta vs tors. theta energy: -170.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2124.616195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.616195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.616195 (E_RNA) where: Base-Base interactions energy: -1469.819 where: short stacking energy: -620.994 Base-Backbone interact. energy: -0.325 local terms energy: -654.472091 where: bonds (distance) C4'-P energy: -117.118 bonds (distance) P-C4' energy: -117.909 flat angles C4'-P-C4' energy: -151.224 flat angles P-C4'-P energy: -100.979 tors. eta vs tors. theta energy: -167.243 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: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1863.600149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.600149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.600149 (E_RNA) where: Base-Base interactions energy: -1262.635 where: short stacking energy: -541.000 Base-Backbone interact. energy: -2.960 local terms energy: -598.005617 where: bonds (distance) C4'-P energy: -129.294 bonds (distance) P-C4' energy: -113.959 flat angles C4'-P-C4' energy: -124.200 flat angles P-C4'-P energy: -78.282 tors. eta vs tors. theta energy: -152.271 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: 10 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1621.331415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.331415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.331415 (E_RNA) where: Base-Base interactions energy: -1109.170 where: short stacking energy: -486.417 Base-Backbone interact. energy: -0.543 local terms energy: -511.618381 where: bonds (distance) C4'-P energy: -107.165 bonds (distance) P-C4' energy: -105.416 flat angles C4'-P-C4' energy: -117.673 flat angles P-C4'-P energy: -64.244 tors. eta vs tors. theta energy: -117.121 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: 481 Temperature: 1.250000 Total energy: -1369.535000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.535000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.535000 (E_RNA) where: Base-Base interactions energy: -906.746 where: short stacking energy: -387.123 Base-Backbone interact. energy: -2.580 local terms energy: -460.208903 where: bonds (distance) C4'-P energy: -119.333 bonds (distance) P-C4' energy: -100.455 flat angles C4'-P-C4' energy: -106.316 flat angles P-C4'-P energy: -73.183 tors. eta vs tors. theta energy: -60.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1111.741628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.741628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.741628 (E_RNA) where: Base-Base interactions energy: -709.577 where: short stacking energy: -320.397 Base-Backbone interact. energy: -1.102 local terms energy: -401.063112 where: bonds (distance) C4'-P energy: -102.657 bonds (distance) P-C4' energy: -96.689 flat angles C4'-P-C4' energy: -100.858 flat angles P-C4'-P energy: -67.933 tors. eta vs tors. theta energy: -32.927 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: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -854.230940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.230940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.230940 (E_RNA) where: Base-Base interactions energy: -478.368 where: short stacking energy: -228.988 Base-Backbone interact. energy: 4.049 local terms energy: -379.912385 where: bonds (distance) C4'-P energy: -99.249 bonds (distance) P-C4' energy: -116.928 flat angles C4'-P-C4' energy: -88.518 flat angles P-C4'-P energy: -60.412 tors. eta vs tors. theta energy: -14.805 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: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -2351.565097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.565097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.565097 (E_RNA) where: Base-Base interactions energy: -1665.569 where: short stacking energy: -699.082 Base-Backbone interact. energy: -4.676 local terms energy: -681.320859 where: bonds (distance) C4'-P energy: -121.804 bonds (distance) P-C4' energy: -145.464 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -174.122 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: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -2370.971129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.971129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.971129 (E_RNA) where: Base-Base interactions energy: -1684.990 where: short stacking energy: -693.900 Base-Backbone interact. energy: -1.800 local terms energy: -684.181444 where: bonds (distance) C4'-P energy: -131.123 bonds (distance) P-C4' energy: -120.060 flat angles C4'-P-C4' energy: -137.375 flat angles P-C4'-P energy: -99.318 tors. eta vs tors. theta energy: -196.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2270.592201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.592201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.592201 (E_RNA) where: Base-Base interactions energy: -1597.152 where: short stacking energy: -664.432 Base-Backbone interact. energy: -1.087 local terms energy: -672.353140 where: bonds (distance) C4'-P energy: -139.588 bonds (distance) P-C4' energy: -121.409 flat angles C4'-P-C4' energy: -139.802 flat angles P-C4'-P energy: -102.475 tors. eta vs tors. theta energy: -169.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2157.600606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.600606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.600606 (E_RNA) where: Base-Base interactions energy: -1552.432 where: short stacking energy: -628.364 Base-Backbone interact. energy: -1.663 local terms energy: -603.505562 where: bonds (distance) C4'-P energy: -115.714 bonds (distance) P-C4' energy: -106.321 flat angles C4'-P-C4' energy: -132.453 flat angles P-C4'-P energy: -90.822 tors. eta vs tors. theta energy: -158.195 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: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2048.166651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.166651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.166651 (E_RNA) where: Base-Base interactions energy: -1419.990 where: short stacking energy: -604.079 Base-Backbone interact. energy: -1.907 local terms energy: -626.269739 where: bonds (distance) C4'-P energy: -114.889 bonds (distance) P-C4' energy: -119.679 flat angles C4'-P-C4' energy: -128.862 flat angles P-C4'-P energy: -91.224 tors. eta vs tors. theta energy: -171.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1867.413182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.413182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.413182 (E_RNA) where: Base-Base interactions energy: -1275.394 where: short stacking energy: -587.159 Base-Backbone interact. energy: -4.810 local terms energy: -587.209106 where: bonds (distance) C4'-P energy: -103.850 bonds (distance) P-C4' energy: -110.575 flat angles C4'-P-C4' energy: -131.907 flat angles P-C4'-P energy: -84.785 tors. eta vs tors. theta energy: -156.092 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: 7, replica: 10 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1685.072783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.072783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.072783 (E_RNA) where: Base-Base interactions energy: -1162.683 where: short stacking energy: -479.054 Base-Backbone interact. energy: -1.982 local terms energy: -520.407816 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -119.128 flat angles P-C4'-P energy: -77.825 tors. eta vs tors. theta energy: -99.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1406.736156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.736156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.736156 (E_RNA) where: Base-Base interactions energy: -925.122 where: short stacking energy: -402.115 Base-Backbone interact. energy: 4.647 local terms energy: -486.261186 where: bonds (distance) C4'-P energy: -118.900 bonds (distance) P-C4' energy: -106.167 flat angles C4'-P-C4' energy: -110.335 flat angles P-C4'-P energy: -76.268 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: 2 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1084.397236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.397236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.397236 (E_RNA) where: Base-Base interactions energy: -674.547 where: short stacking energy: -324.515 Base-Backbone interact. energy: -1.968 local terms energy: -407.881437 where: bonds (distance) C4'-P energy: -102.999 bonds (distance) P-C4' energy: -104.922 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -63.140 tors. eta vs tors. theta energy: -40.182 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: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -931.306136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.306136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.306136 (E_RNA) where: Base-Base interactions energy: -556.005 where: short stacking energy: -284.742 Base-Backbone interact. energy: -1.496 local terms energy: -373.804800 where: bonds (distance) C4'-P energy: -103.176 bonds (distance) P-C4' energy: -109.112 flat angles C4'-P-C4' energy: -87.065 flat angles P-C4'-P energy: -54.750 tors. eta vs tors. theta energy: -19.703 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: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -2333.586283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.586283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.586283 (E_RNA) where: Base-Base interactions energy: -1625.439 where: short stacking energy: -692.744 Base-Backbone interact. energy: -1.216 local terms energy: -706.930998 where: bonds (distance) C4'-P energy: -143.171 bonds (distance) P-C4' energy: -124.596 flat angles C4'-P-C4' energy: -152.536 flat angles P-C4'-P energy: -102.851 tors. eta vs tors. theta energy: -183.777 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: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2356.717078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.717078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.717078 (E_RNA) where: Base-Base interactions energy: -1683.899 where: short stacking energy: -688.390 Base-Backbone interact. energy: 2.212 local terms energy: -675.029858 where: bonds (distance) C4'-P energy: -121.319 bonds (distance) P-C4' energy: -132.013 flat angles C4'-P-C4' energy: -136.312 flat angles P-C4'-P energy: -99.101 tors. eta vs tors. theta energy: -186.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2282.750017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.750017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.750017 (E_RNA) where: Base-Base interactions energy: -1620.800 where: short stacking energy: -648.948 Base-Backbone interact. energy: -3.417 local terms energy: -658.532745 where: bonds (distance) C4'-P energy: -113.678 bonds (distance) P-C4' energy: -110.715 flat angles C4'-P-C4' energy: -156.756 flat angles P-C4'-P energy: -99.244 tors. eta vs tors. theta energy: -178.140 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: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2138.694158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.694158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.694158 (E_RNA) where: Base-Base interactions energy: -1499.559 where: short stacking energy: -616.589 Base-Backbone interact. energy: -4.445 local terms energy: -634.689834 where: bonds (distance) C4'-P energy: -119.051 bonds (distance) P-C4' energy: -120.250 flat angles C4'-P-C4' energy: -134.181 flat angles P-C4'-P energy: -94.692 tors. eta vs tors. theta energy: -166.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2054.655582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.655582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.655582 (E_RNA) where: Base-Base interactions energy: -1432.918 where: short stacking energy: -614.880 Base-Backbone interact. energy: 3.971 local terms energy: -625.709285 where: bonds (distance) C4'-P energy: -106.439 bonds (distance) P-C4' energy: -119.384 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -91.321 tors. eta vs tors. theta energy: -166.481 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: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1865.776953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.776953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.776953 (E_RNA) where: Base-Base interactions energy: -1287.327 where: short stacking energy: -575.036 Base-Backbone interact. energy: -1.432 local terms energy: -577.018343 where: bonds (distance) C4'-P energy: -106.192 bonds (distance) P-C4' energy: -105.065 flat angles C4'-P-C4' energy: -127.774 flat angles P-C4'-P energy: -85.316 tors. eta vs tors. theta energy: -152.671 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: 7, replica: 10 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1666.247702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.247702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.247702 (E_RNA) where: Base-Base interactions energy: -1124.633 where: short stacking energy: -505.292 Base-Backbone interact. energy: -0.222 local terms energy: -541.391927 where: bonds (distance) C4'-P energy: -96.315 bonds (distance) P-C4' energy: -114.280 flat angles C4'-P-C4' energy: -131.382 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -122.675 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: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1364.038652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.038652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.038652 (E_RNA) where: Base-Base interactions energy: -914.679 where: short stacking energy: -399.582 Base-Backbone interact. energy: 3.411 local terms energy: -452.770046 where: bonds (distance) C4'-P energy: -85.270 bonds (distance) P-C4' energy: -113.915 flat angles C4'-P-C4' energy: -122.284 flat angles P-C4'-P energy: -47.920 tors. eta vs tors. theta energy: -83.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1071.229269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.229269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.229269 (E_RNA) where: Base-Base interactions energy: -659.430 where: short stacking energy: -307.579 Base-Backbone interact. energy: 0.457 local terms energy: -412.255686 where: bonds (distance) C4'-P energy: -104.308 bonds (distance) P-C4' energy: -117.590 flat angles C4'-P-C4' energy: -100.050 flat angles P-C4'-P energy: -50.443 tors. eta vs tors. theta energy: -39.864 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: 483 Temperature: 1.350000 Total energy: -880.919163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.919163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.919163 (E_RNA) where: Base-Base interactions energy: -493.244 where: short stacking energy: -263.536 Base-Backbone interact. energy: 1.335 local terms energy: -389.009888 where: bonds (distance) C4'-P energy: -106.649 bonds (distance) P-C4' energy: -93.941 flat angles C4'-P-C4' energy: -105.084 flat angles P-C4'-P energy: -70.000 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: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -2384.405937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.405937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.405937 (E_RNA) where: Base-Base interactions energy: -1658.221 where: short stacking energy: -706.661 Base-Backbone interact. energy: -1.554 local terms energy: -724.630863 where: bonds (distance) C4'-P energy: -122.748 bonds (distance) P-C4' energy: -140.440 flat angles C4'-P-C4' energy: -154.476 flat angles P-C4'-P energy: -106.849 tors. eta vs tors. theta energy: -200.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2346.983283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.983283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.983283 (E_RNA) where: Base-Base interactions energy: -1650.929 where: short stacking energy: -669.813 Base-Backbone interact. energy: -0.557 local terms energy: -695.497491 where: bonds (distance) C4'-P energy: -134.194 bonds (distance) P-C4' energy: -129.107 flat angles C4'-P-C4' energy: -142.231 flat angles P-C4'-P energy: -102.553 tors. eta vs tors. theta energy: -187.413 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: 484 Temperature: 1.000000 Total energy: -2328.935465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.935465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.935465 (E_RNA) where: Base-Base interactions energy: -1641.457 where: short stacking energy: -669.496 Base-Backbone interact. energy: -4.886 local terms energy: -682.592860 where: bonds (distance) C4'-P energy: -128.412 bonds (distance) P-C4' energy: -136.142 flat angles C4'-P-C4' energy: -139.562 flat angles P-C4'-P energy: -89.970 tors. eta vs tors. theta energy: -188.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2113.987517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.987517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.987517 (E_RNA) where: Base-Base interactions energy: -1505.099 where: short stacking energy: -608.534 Base-Backbone interact. energy: -4.675 local terms energy: -604.213236 where: bonds (distance) C4'-P energy: -104.391 bonds (distance) P-C4' energy: -126.394 flat angles C4'-P-C4' energy: -131.266 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -166.450 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: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2097.847806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.847806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.847806 (E_RNA) where: Base-Base interactions energy: -1469.142 where: short stacking energy: -628.189 Base-Backbone interact. energy: 0.125 local terms energy: -628.830989 where: bonds (distance) C4'-P energy: -108.623 bonds (distance) P-C4' energy: -119.571 flat angles C4'-P-C4' energy: -141.880 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -178.305 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: 6, replica: 3 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1881.700570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.700570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.700570 (E_RNA) where: Base-Base interactions energy: -1266.334 where: short stacking energy: -569.167 Base-Backbone interact. energy: -1.601 local terms energy: -613.766275 where: bonds (distance) C4'-P energy: -107.598 bonds (distance) P-C4' energy: -121.189 flat angles C4'-P-C4' energy: -148.286 flat angles P-C4'-P energy: -75.632 tors. eta vs tors. theta energy: -161.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1674.798081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.798081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.798081 (E_RNA) where: Base-Base interactions energy: -1144.199 where: short stacking energy: -494.264 Base-Backbone interact. energy: -1.736 local terms energy: -528.862644 where: bonds (distance) C4'-P energy: -104.990 bonds (distance) P-C4' energy: -119.640 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -118.197 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: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1343.755776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.755776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.755776 (E_RNA) where: Base-Base interactions energy: -883.189 where: short stacking energy: -437.607 Base-Backbone interact. energy: -2.152 local terms energy: -458.414826 where: bonds (distance) C4'-P energy: -121.920 bonds (distance) P-C4' energy: -99.020 flat angles C4'-P-C4' energy: -107.541 flat angles P-C4'-P energy: -56.559 tors. eta vs tors. theta energy: -73.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1040.310150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.310150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.310150 (E_RNA) where: Base-Base interactions energy: -603.534 where: short stacking energy: -285.327 Base-Backbone interact. energy: -0.536 local terms energy: -436.240175 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -119.695 flat angles C4'-P-C4' energy: -92.866 flat angles P-C4'-P energy: -71.107 tors. eta vs tors. theta energy: -33.363 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: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -838.879171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.879171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.879171 (E_RNA) where: Base-Base interactions energy: -471.215 where: short stacking energy: -234.182 Base-Backbone interact. energy: -0.476 local terms energy: -367.187483 where: bonds (distance) C4'-P energy: -96.386 bonds (distance) P-C4' energy: -109.336 flat angles C4'-P-C4' energy: -106.794 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -11.307 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: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -2352.258193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.258193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.258193 (E_RNA) where: Base-Base interactions energy: -1617.546 where: short stacking energy: -691.911 Base-Backbone interact. energy: -3.429 local terms energy: -731.283897 where: bonds (distance) C4'-P energy: -131.297 bonds (distance) P-C4' energy: -141.776 flat angles C4'-P-C4' energy: -152.444 flat angles P-C4'-P energy: -111.859 tors. eta vs tors. theta energy: -193.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2387.354421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.354421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.354421 (E_RNA) where: Base-Base interactions energy: -1685.318 where: short stacking energy: -672.841 Base-Backbone interact. energy: 2.422 local terms energy: -704.458671 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -125.820 flat angles C4'-P-C4' energy: -158.109 flat angles P-C4'-P energy: -94.265 tors. eta vs tors. theta energy: -196.432 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: 485 Temperature: 1.000000 Total energy: -2299.434148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.434148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.434148 (E_RNA) where: Base-Base interactions energy: -1620.225 where: short stacking energy: -650.884 Base-Backbone interact. energy: -4.032 local terms energy: -675.176546 where: bonds (distance) C4'-P energy: -136.207 bonds (distance) P-C4' energy: -133.154 flat angles C4'-P-C4' energy: -149.230 flat angles P-C4'-P energy: -79.684 tors. eta vs tors. theta energy: -176.902 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: 6 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2167.996305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.996305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.996305 (E_RNA) where: Base-Base interactions energy: -1537.763 where: short stacking energy: -612.412 Base-Backbone interact. energy: 0.064 local terms energy: -630.296782 where: bonds (distance) C4'-P energy: -110.040 bonds (distance) P-C4' energy: -121.102 flat angles C4'-P-C4' energy: -148.179 flat angles P-C4'-P energy: -74.160 tors. eta vs tors. theta energy: -176.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2081.096635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.096635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.096635 (E_RNA) where: Base-Base interactions energy: -1442.374 where: short stacking energy: -615.460 Base-Backbone interact. energy: -1.888 local terms energy: -636.834774 where: bonds (distance) C4'-P energy: -118.334 bonds (distance) P-C4' energy: -135.950 flat angles C4'-P-C4' energy: -130.106 flat angles P-C4'-P energy: -86.353 tors. eta vs tors. theta energy: -166.092 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: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1911.286815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.286815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.286815 (E_RNA) where: Base-Base interactions energy: -1280.964 where: short stacking energy: -557.954 Base-Backbone interact. energy: -1.626 local terms energy: -628.697379 where: bonds (distance) C4'-P energy: -123.804 bonds (distance) P-C4' energy: -132.459 flat angles C4'-P-C4' energy: -126.425 flat angles P-C4'-P energy: -92.118 tors. eta vs tors. theta energy: -153.892 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: 10 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1658.402010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.402010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.402010 (E_RNA) where: Base-Base interactions energy: -1150.383 where: short stacking energy: -483.959 Base-Backbone interact. energy: 2.997 local terms energy: -511.015224 where: bonds (distance) C4'-P energy: -99.405 bonds (distance) P-C4' energy: -116.219 flat angles C4'-P-C4' energy: -117.990 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -102.763 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: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1361.249375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.249375 (E_RNA) where: Base-Base interactions energy: -909.977 where: short stacking energy: -385.387 Base-Backbone interact. energy: 2.655 local terms energy: -453.927221 where: bonds (distance) C4'-P energy: -86.953 bonds (distance) P-C4' energy: -119.436 flat angles C4'-P-C4' energy: -107.783 flat angles P-C4'-P energy: -65.420 tors. eta vs tors. theta energy: -74.335 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: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1048.736792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.736792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.736792 (E_RNA) where: Base-Base interactions energy: -650.007 where: short stacking energy: -314.883 Base-Backbone interact. energy: 0.265 local terms energy: -398.995061 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -108.386 flat angles C4'-P-C4' energy: -95.190 flat angles P-C4'-P energy: -56.657 tors. eta vs tors. theta energy: -44.015 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: 485 Temperature: 1.350000 Total energy: -815.348833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.348833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.348833 (E_RNA) where: Base-Base interactions energy: -454.480 where: short stacking energy: -228.333 Base-Backbone interact. energy: -2.464 local terms energy: -358.405072 where: bonds (distance) C4'-P energy: -104.112 bonds (distance) P-C4' energy: -106.082 flat angles C4'-P-C4' energy: -81.599 flat angles P-C4'-P energy: -62.867 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -2343.083240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.083240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.083240 (E_RNA) where: Base-Base interactions energy: -1614.912 where: short stacking energy: -687.269 Base-Backbone interact. energy: -2.631 local terms energy: -725.540082 where: bonds (distance) C4'-P energy: -131.831 bonds (distance) P-C4' energy: -140.629 flat angles C4'-P-C4' energy: -148.104 flat angles P-C4'-P energy: -114.503 tors. eta vs tors. theta energy: -190.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2396.207405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.207405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.207405 (E_RNA) where: Base-Base interactions energy: -1672.335 where: short stacking energy: -698.728 Base-Backbone interact. energy: -0.549 local terms energy: -723.323624 where: bonds (distance) C4'-P energy: -131.692 bonds (distance) P-C4' energy: -132.622 flat angles C4'-P-C4' energy: -149.625 flat angles P-C4'-P energy: -108.263 tors. eta vs tors. theta energy: -201.121 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: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2305.084525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.084525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.084525 (E_RNA) where: Base-Base interactions energy: -1640.292 where: short stacking energy: -683.052 Base-Backbone interact. energy: 0.503 local terms energy: -665.295698 where: bonds (distance) C4'-P energy: -123.620 bonds (distance) P-C4' energy: -125.807 flat angles C4'-P-C4' energy: -142.638 flat angles P-C4'-P energy: -93.115 tors. eta vs tors. theta energy: -180.116 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: 4, replica: 6 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2140.577499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.577499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.577499 (E_RNA) where: Base-Base interactions energy: -1522.230 where: short stacking energy: -593.314 Base-Backbone interact. energy: -5.227 local terms energy: -613.120465 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -118.288 flat angles C4'-P-C4' energy: -140.020 flat angles P-C4'-P energy: -77.179 tors. eta vs tors. theta energy: -159.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2087.543098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.543098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.543098 (E_RNA) where: Base-Base interactions energy: -1466.827 where: short stacking energy: -627.727 Base-Backbone interact. energy: -4.490 local terms energy: -616.225933 where: bonds (distance) C4'-P energy: -118.888 bonds (distance) P-C4' energy: -112.198 flat angles C4'-P-C4' energy: -129.555 flat angles P-C4'-P energy: -76.189 tors. eta vs tors. theta energy: -179.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1911.480041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.480041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.480041 (E_RNA) where: Base-Base interactions energy: -1309.081 where: short stacking energy: -540.147 Base-Backbone interact. energy: -0.959 local terms energy: -601.439811 where: bonds (distance) C4'-P energy: -107.260 bonds (distance) P-C4' energy: -118.231 flat angles C4'-P-C4' energy: -140.605 flat angles P-C4'-P energy: -81.581 tors. eta vs tors. theta energy: -153.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1654.893002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.893002 (E_RNA) where: Base-Base interactions energy: -1076.733 where: short stacking energy: -478.523 Base-Backbone interact. energy: -0.307 local terms energy: -577.852946 where: bonds (distance) C4'-P energy: -130.373 bonds (distance) P-C4' energy: -115.249 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -122.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1402.712399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.712399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.712399 (E_RNA) where: Base-Base interactions energy: -915.732 where: short stacking energy: -427.360 Base-Backbone interact. energy: -1.122 local terms energy: -485.859119 where: bonds (distance) C4'-P energy: -104.456 bonds (distance) P-C4' energy: -126.014 flat angles C4'-P-C4' energy: -104.134 flat angles P-C4'-P energy: -67.812 tors. eta vs tors. theta energy: -83.444 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: 2 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1066.520310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.520310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.520310 (E_RNA) where: Base-Base interactions energy: -636.139 where: short stacking energy: -320.927 Base-Backbone interact. energy: 6.557 local terms energy: -436.938404 where: bonds (distance) C4'-P energy: -97.525 bonds (distance) P-C4' energy: -94.631 flat angles C4'-P-C4' energy: -117.163 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -49.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -824.221210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.221210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.221210 (E_RNA) where: Base-Base interactions energy: -450.418 where: short stacking energy: -243.600 Base-Backbone interact. energy: 0.110 local terms energy: -373.913350 where: bonds (distance) C4'-P energy: -112.667 bonds (distance) P-C4' energy: -112.232 flat angles C4'-P-C4' energy: -87.224 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -1.883 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: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -2348.857465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.857465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.857465 (E_RNA) where: Base-Base interactions energy: -1620.166 where: short stacking energy: -687.953 Base-Backbone interact. energy: -6.269 local terms energy: -722.422092 where: bonds (distance) C4'-P energy: -140.829 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -152.227 flat angles P-C4'-P energy: -104.432 tors. eta vs tors. theta energy: -196.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2377.093178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.093178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.093178 (E_RNA) where: Base-Base interactions energy: -1689.435 where: short stacking energy: -702.098 Base-Backbone interact. energy: -2.177 local terms energy: -685.481193 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -128.948 flat angles C4'-P-C4' energy: -141.755 flat angles P-C4'-P energy: -94.545 tors. eta vs tors. theta energy: -198.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2283.744287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.744287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.744287 (E_RNA) where: Base-Base interactions energy: -1607.754 where: short stacking energy: -656.600 Base-Backbone interact. energy: 0.155 local terms energy: -676.145806 where: bonds (distance) C4'-P energy: -126.648 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -148.204 flat angles P-C4'-P energy: -105.977 tors. eta vs tors. theta energy: -182.601 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: 4, replica: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2164.114771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.114771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.114771 (E_RNA) where: Base-Base interactions energy: -1509.887 where: short stacking energy: -634.130 Base-Backbone interact. energy: -0.349 local terms energy: -653.879088 where: bonds (distance) C4'-P energy: -124.699 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -131.125 flat angles P-C4'-P energy: -85.403 tors. eta vs tors. theta energy: -177.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2085.503749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.503749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.503749 (E_RNA) where: Base-Base interactions energy: -1430.303 where: short stacking energy: -621.758 Base-Backbone interact. energy: -2.186 local terms energy: -653.013955 where: bonds (distance) C4'-P energy: -130.776 bonds (distance) P-C4' energy: -136.319 flat angles C4'-P-C4' energy: -125.158 flat angles P-C4'-P energy: -94.063 tors. eta vs tors. theta energy: -166.698 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: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1940.955522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.955522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.955522 (E_RNA) where: Base-Base interactions energy: -1341.027 where: short stacking energy: -558.484 Base-Backbone interact. energy: -2.039 local terms energy: -597.888769 where: bonds (distance) C4'-P energy: -115.940 bonds (distance) P-C4' energy: -103.944 flat angles C4'-P-C4' energy: -134.447 flat angles P-C4'-P energy: -81.878 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: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1597.987494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.987494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.987494 (E_RNA) where: Base-Base interactions energy: -1060.193 where: short stacking energy: -449.463 Base-Backbone interact. energy: -0.407 local terms energy: -537.387332 where: bonds (distance) C4'-P energy: -96.291 bonds (distance) P-C4' energy: -121.660 flat angles C4'-P-C4' energy: -127.973 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: -110.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1342.386391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.386391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.386391 (E_RNA) where: Base-Base interactions energy: -880.448 where: short stacking energy: -372.254 Base-Backbone interact. energy: 0.273 local terms energy: -462.211245 where: bonds (distance) C4'-P energy: -97.849 bonds (distance) P-C4' energy: -114.852 flat angles C4'-P-C4' energy: -123.909 flat angles P-C4'-P energy: -74.847 tors. eta vs tors. theta energy: -50.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1069.118038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.118038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.118038 (E_RNA) where: Base-Base interactions energy: -647.961 where: short stacking energy: -301.950 Base-Backbone interact. energy: 3.543 local terms energy: -424.700304 where: bonds (distance) C4'-P energy: -89.156 bonds (distance) P-C4' energy: -111.759 flat angles C4'-P-C4' energy: -116.821 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -44.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -868.207669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.207669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.207669 (E_RNA) where: Base-Base interactions energy: -486.625 where: short stacking energy: -257.703 Base-Backbone interact. energy: 0.408 local terms energy: -381.989919 where: bonds (distance) C4'-P energy: -95.566 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -103.273 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -33.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -2420.795048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.795048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.795048 (E_RNA) where: Base-Base interactions energy: -1709.918 where: short stacking energy: -696.172 Base-Backbone interact. energy: -0.083 local terms energy: -710.794222 where: bonds (distance) C4'-P energy: -117.470 bonds (distance) P-C4' energy: -135.409 flat angles C4'-P-C4' energy: -154.731 flat angles P-C4'-P energy: -113.633 tors. eta vs tors. theta energy: -189.551 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: 2, replica: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2324.527453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.527453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.527453 (E_RNA) where: Base-Base interactions energy: -1616.389 where: short stacking energy: -678.865 Base-Backbone interact. energy: -3.340 local terms energy: -704.798724 where: bonds (distance) C4'-P energy: -114.077 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -152.983 flat angles P-C4'-P energy: -115.089 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: 488 Temperature: 1.000000 Total energy: -2268.727557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.727557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.727557 (E_RNA) where: Base-Base interactions energy: -1600.732 where: short stacking energy: -641.215 Base-Backbone interact. energy: 1.058 local terms energy: -669.053465 where: bonds (distance) C4'-P energy: -118.338 bonds (distance) P-C4' energy: -137.246 flat angles C4'-P-C4' energy: -147.018 flat angles P-C4'-P energy: -98.310 tors. eta vs tors. theta energy: -168.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2192.227216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.227216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.227216 (E_RNA) where: Base-Base interactions energy: -1546.314 where: short stacking energy: -630.692 Base-Backbone interact. energy: -1.636 local terms energy: -644.277600 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -117.693 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -102.130 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: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2067.482880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.482880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.482880 (E_RNA) where: Base-Base interactions energy: -1453.498 where: short stacking energy: -633.391 Base-Backbone interact. energy: -1.166 local terms energy: -612.818806 where: bonds (distance) C4'-P energy: -119.776 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -131.591 flat angles P-C4'-P energy: -83.465 tors. eta vs tors. theta energy: -179.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1931.558897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.558897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.558897 (E_RNA) where: Base-Base interactions energy: -1347.551 where: short stacking energy: -568.031 Base-Backbone interact. energy: -3.468 local terms energy: -580.539596 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -124.532 flat angles C4'-P-C4' energy: -130.665 flat angles P-C4'-P energy: -78.664 tors. eta vs tors. theta energy: -150.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1649.060042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.060042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.060042 (E_RNA) where: Base-Base interactions energy: -1096.310 where: short stacking energy: -498.344 Base-Backbone interact. energy: -2.711 local terms energy: -550.039155 where: bonds (distance) C4'-P energy: -104.444 bonds (distance) P-C4' energy: -120.366 flat angles C4'-P-C4' energy: -112.629 flat angles P-C4'-P energy: -84.084 tors. eta vs tors. theta energy: -128.516 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: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1364.865344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.865344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.865344 (E_RNA) where: Base-Base interactions energy: -882.848 where: short stacking energy: -407.391 Base-Backbone interact. energy: 2.743 local terms energy: -484.759539 where: bonds (distance) C4'-P energy: -105.980 bonds (distance) P-C4' energy: -101.184 flat angles C4'-P-C4' energy: -111.770 flat angles P-C4'-P energy: -74.461 tors. eta vs tors. theta energy: -91.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1079.088708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.088708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.088708 (E_RNA) where: Base-Base interactions energy: -653.518 where: short stacking energy: -302.268 Base-Backbone interact. energy: -0.401 local terms energy: -425.169111 where: bonds (distance) C4'-P energy: -103.028 bonds (distance) P-C4' energy: -119.642 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -50.926 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: 488 Temperature: 1.350000 Total energy: -855.066380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.066380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.066380 (E_RNA) where: Base-Base interactions energy: -479.498 where: short stacking energy: -247.499 Base-Backbone interact. energy: -1.060 local terms energy: -374.508003 where: bonds (distance) C4'-P energy: -91.636 bonds (distance) P-C4' energy: -108.335 flat angles C4'-P-C4' energy: -104.212 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -2449.382643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.382643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.382643 (E_RNA) where: Base-Base interactions energy: -1738.583 where: short stacking energy: -713.804 Base-Backbone interact. energy: 1.267 local terms energy: -712.067311 where: bonds (distance) C4'-P energy: -118.547 bonds (distance) P-C4' energy: -144.113 flat angles C4'-P-C4' energy: -146.909 flat angles P-C4'-P energy: -103.885 tors. eta vs tors. theta energy: -198.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2297.526662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.526662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.526662 (E_RNA) where: Base-Base interactions energy: -1617.765 where: short stacking energy: -673.971 Base-Backbone interact. energy: -3.685 local terms energy: -676.076859 where: bonds (distance) C4'-P energy: -135.490 bonds (distance) P-C4' energy: -141.430 flat angles C4'-P-C4' energy: -142.697 flat angles P-C4'-P energy: -75.914 tors. eta vs tors. theta energy: -180.546 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: 489 Temperature: 1.000000 Total energy: -2257.750602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.750602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.750602 (E_RNA) where: Base-Base interactions energy: -1624.026 where: short stacking energy: -653.748 Base-Backbone interact. energy: 0.676 local terms energy: -634.400292 where: bonds (distance) C4'-P energy: -109.728 bonds (distance) P-C4' energy: -123.389 flat angles C4'-P-C4' energy: -137.443 flat angles P-C4'-P energy: -99.565 tors. eta vs tors. theta energy: -164.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2182.256227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.256227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.256227 (E_RNA) where: Base-Base interactions energy: -1537.751 where: short stacking energy: -634.677 Base-Backbone interact. energy: 2.124 local terms energy: -646.628434 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -116.538 flat angles C4'-P-C4' energy: -145.010 flat angles P-C4'-P energy: -99.213 tors. eta vs tors. theta energy: -165.800 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: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2121.982850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.982850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.982850 (E_RNA) where: Base-Base interactions energy: -1501.984 where: short stacking energy: -611.272 Base-Backbone interact. energy: -4.420 local terms energy: -615.579438 where: bonds (distance) C4'-P energy: -114.536 bonds (distance) P-C4' energy: -120.952 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -173.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1935.043841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.043841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.043841 (E_RNA) where: Base-Base interactions energy: -1340.558 where: short stacking energy: -556.797 Base-Backbone interact. energy: -1.580 local terms energy: -592.905964 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -117.570 flat angles C4'-P-C4' energy: -130.788 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -150.955 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: 7, replica: 10 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1694.114120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.114120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.114120 (E_RNA) where: Base-Base interactions energy: -1111.551 where: short stacking energy: -500.922 Base-Backbone interact. energy: -2.226 local terms energy: -580.337754 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -122.189 flat angles C4'-P-C4' energy: -116.477 flat angles P-C4'-P energy: -88.464 tors. eta vs tors. theta energy: -143.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1304.230734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.230734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.230734 (E_RNA) where: Base-Base interactions energy: -826.056 where: short stacking energy: -365.878 Base-Backbone interact. energy: -4.676 local terms energy: -473.499432 where: bonds (distance) C4'-P energy: -108.408 bonds (distance) P-C4' energy: -115.688 flat angles C4'-P-C4' energy: -108.886 flat angles P-C4'-P energy: -75.804 tors. eta vs tors. theta energy: -64.712 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: 9, replica: 2 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1072.733480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.733480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.733480 (E_RNA) where: Base-Base interactions energy: -683.882 where: short stacking energy: -340.859 Base-Backbone interact. energy: -0.103 local terms energy: -388.749071 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -114.661 flat angles C4'-P-C4' energy: -86.991 flat angles P-C4'-P energy: -54.424 tors. eta vs tors. theta energy: -50.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -858.972759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.972759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.972759 (E_RNA) where: Base-Base interactions energy: -474.744 where: short stacking energy: -244.157 Base-Backbone interact. energy: 2.029 local terms energy: -386.256902 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -111.140 flat angles C4'-P-C4' energy: -113.899 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -9.953 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: 490 Temperature: 0.900000 Total energy: -2403.508375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.508375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.508375 (E_RNA) where: Base-Base interactions energy: -1680.104 where: short stacking energy: -698.415 Base-Backbone interact. energy: 5.913 local terms energy: -729.317152 where: bonds (distance) C4'-P energy: -129.036 bonds (distance) P-C4' energy: -136.844 flat angles C4'-P-C4' energy: -153.004 flat angles P-C4'-P energy: -102.490 tors. eta vs tors. theta energy: -207.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2335.954596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.954596 (E_RNA) where: Base-Base interactions energy: -1638.619 where: short stacking energy: -698.595 Base-Backbone interact. energy: -5.294 local terms energy: -692.041613 where: bonds (distance) C4'-P energy: -115.269 bonds (distance) P-C4' energy: -126.986 flat angles C4'-P-C4' energy: -156.405 flat angles P-C4'-P energy: -100.966 tors. eta vs tors. theta energy: -192.415 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: 490 Temperature: 1.000000 Total energy: -2262.440546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.440546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.440546 (E_RNA) where: Base-Base interactions energy: -1616.066 where: short stacking energy: -653.859 Base-Backbone interact. energy: -4.874 local terms energy: -641.500282 where: bonds (distance) C4'-P energy: -113.015 bonds (distance) P-C4' energy: -123.927 flat angles C4'-P-C4' energy: -152.499 flat angles P-C4'-P energy: -90.356 tors. eta vs tors. theta energy: -161.703 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: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2205.445678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.445678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.445678 (E_RNA) where: Base-Base interactions energy: -1539.402 where: short stacking energy: -627.993 Base-Backbone interact. energy: 1.222 local terms energy: -667.265853 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -130.223 flat angles C4'-P-C4' energy: -152.430 flat angles P-C4'-P energy: -97.310 tors. eta vs tors. theta energy: -169.489 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: 1 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2098.437232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.437232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.437232 (E_RNA) where: Base-Base interactions energy: -1478.043 where: short stacking energy: -627.187 Base-Backbone interact. energy: -5.474 local terms energy: -614.920064 where: bonds (distance) C4'-P energy: -105.963 bonds (distance) P-C4' energy: -114.928 flat angles C4'-P-C4' energy: -127.052 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -179.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1953.209560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.209560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.209560 (E_RNA) where: Base-Base interactions energy: -1382.382 where: short stacking energy: -580.130 Base-Backbone interact. energy: -3.984 local terms energy: -566.843794 where: bonds (distance) C4'-P energy: -92.816 bonds (distance) P-C4' energy: -110.041 flat angles C4'-P-C4' energy: -135.458 flat angles P-C4'-P energy: -71.278 tors. eta vs tors. theta energy: -157.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1683.742474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.742474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.742474 (E_RNA) where: Base-Base interactions energy: -1129.038 where: short stacking energy: -507.735 Base-Backbone interact. energy: 1.088 local terms energy: -555.792530 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -126.534 flat angles C4'-P-C4' energy: -126.604 flat angles P-C4'-P energy: -85.371 tors. eta vs tors. theta energy: -133.612 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: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1354.494339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.494339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.494339 (E_RNA) where: Base-Base interactions energy: -854.982 where: short stacking energy: -393.198 Base-Backbone interact. energy: 3.647 local terms energy: -503.159062 where: bonds (distance) C4'-P energy: -113.836 bonds (distance) P-C4' energy: -122.097 flat angles C4'-P-C4' energy: -123.029 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -71.668 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: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1039.579880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.579880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.579880 (E_RNA) where: Base-Base interactions energy: -588.323 where: short stacking energy: -303.313 Base-Backbone interact. energy: -1.245 local terms energy: -450.011593 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -130.506 flat angles C4'-P-C4' energy: -104.686 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -45.374 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: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -896.743356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.743356 (E_RNA) where: Base-Base interactions energy: -496.843 where: short stacking energy: -241.572 Base-Backbone interact. energy: -2.986 local terms energy: -396.914616 where: bonds (distance) C4'-P energy: -114.073 bonds (distance) P-C4' energy: -103.408 flat angles C4'-P-C4' energy: -103.485 flat angles P-C4'-P energy: -64.087 tors. eta vs tors. theta energy: -11.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -2415.480494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.480494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.480494 (E_RNA) where: Base-Base interactions energy: -1705.277 where: short stacking energy: -705.254 Base-Backbone interact. energy: -0.233 local terms energy: -709.969798 where: bonds (distance) C4'-P energy: -124.508 bonds (distance) P-C4' energy: -132.819 flat angles C4'-P-C4' energy: -155.292 flat angles P-C4'-P energy: -102.230 tors. eta vs tors. theta energy: -195.122 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: 2, replica: 9 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2316.893117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.893117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.893117 (E_RNA) where: Base-Base interactions energy: -1621.102 where: short stacking energy: -691.332 Base-Backbone interact. energy: 1.664 local terms energy: -697.455376 where: bonds (distance) C4'-P energy: -126.670 bonds (distance) P-C4' energy: -133.807 flat angles C4'-P-C4' energy: -147.498 flat angles P-C4'-P energy: -96.033 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: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2257.583383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.583383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.583383 (E_RNA) where: Base-Base interactions energy: -1622.883 where: short stacking energy: -645.363 Base-Backbone interact. energy: -0.862 local terms energy: -633.838353 where: bonds (distance) C4'-P energy: -119.286 bonds (distance) P-C4' energy: -106.037 flat angles C4'-P-C4' energy: -145.637 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -165.439 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: 1 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2182.017339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.017339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.017339 (E_RNA) where: Base-Base interactions energy: -1520.479 where: short stacking energy: -641.129 Base-Backbone interact. energy: 4.493 local terms energy: -666.030661 where: bonds (distance) C4'-P energy: -121.333 bonds (distance) P-C4' energy: -130.465 flat angles C4'-P-C4' energy: -136.477 flat angles P-C4'-P energy: -97.356 tors. eta vs tors. theta energy: -180.399 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: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2169.293767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.293767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.293767 (E_RNA) where: Base-Base interactions energy: -1540.124 where: short stacking energy: -625.823 Base-Backbone interact. energy: -4.211 local terms energy: -624.958313 where: bonds (distance) C4'-P energy: -103.350 bonds (distance) P-C4' energy: -113.397 flat angles C4'-P-C4' energy: -143.262 flat angles P-C4'-P energy: -95.686 tors. eta vs tors. theta energy: -169.263 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: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1934.964043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.964043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.964043 (E_RNA) where: Base-Base interactions energy: -1325.161 where: short stacking energy: -563.665 Base-Backbone interact. energy: -4.392 local terms energy: -605.411125 where: bonds (distance) C4'-P energy: -105.747 bonds (distance) P-C4' energy: -125.436 flat angles C4'-P-C4' energy: -125.919 flat angles P-C4'-P energy: -87.665 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: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1674.865790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.865790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.865790 (E_RNA) where: Base-Base interactions energy: -1130.179 where: short stacking energy: -489.293 Base-Backbone interact. energy: 2.665 local terms energy: -547.352068 where: bonds (distance) C4'-P energy: -119.616 bonds (distance) P-C4' energy: -110.311 flat angles C4'-P-C4' energy: -121.044 flat angles P-C4'-P energy: -74.994 tors. eta vs tors. theta energy: -121.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1420.444935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.444935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.444935 (E_RNA) where: Base-Base interactions energy: -920.786 where: short stacking energy: -401.655 Base-Backbone interact. energy: 2.196 local terms energy: -501.855226 where: bonds (distance) C4'-P energy: -125.965 bonds (distance) P-C4' energy: -114.815 flat angles C4'-P-C4' energy: -106.756 flat angles P-C4'-P energy: -66.780 tors. eta vs tors. theta energy: -87.538 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: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1070.154213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.154213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.154213 (E_RNA) where: Base-Base interactions energy: -630.315 where: short stacking energy: -327.294 Base-Backbone interact. energy: -5.244 local terms energy: -434.594478 where: bonds (distance) C4'-P energy: -90.299 bonds (distance) P-C4' energy: -119.628 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -88.525 tors. eta vs tors. theta energy: -43.213 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: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -893.856635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.856635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.856635 (E_RNA) where: Base-Base interactions energy: -532.205 where: short stacking energy: -244.955 Base-Backbone interact. energy: 0.812 local terms energy: -362.464000 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -98.057 flat angles C4'-P-C4' energy: -86.601 flat angles P-C4'-P energy: -56.072 tors. eta vs tors. theta energy: -29.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -2426.687734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.687734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.687734 (E_RNA) where: Base-Base interactions energy: -1706.968 where: short stacking energy: -700.590 Base-Backbone interact. energy: -4.219 local terms energy: -715.499954 where: bonds (distance) C4'-P energy: -125.900 bonds (distance) P-C4' energy: -141.093 flat angles C4'-P-C4' energy: -145.322 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -203.115 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: 9 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2274.840380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.840380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.840380 (E_RNA) where: Base-Base interactions energy: -1573.946 where: short stacking energy: -677.955 Base-Backbone interact. energy: -4.203 local terms energy: -696.691409 where: bonds (distance) C4'-P energy: -127.529 bonds (distance) P-C4' energy: -125.719 flat angles C4'-P-C4' energy: -151.710 flat angles P-C4'-P energy: -110.199 tors. eta vs tors. theta energy: -181.534 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: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2215.406987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.406987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.406987 (E_RNA) where: Base-Base interactions energy: -1556.151 where: short stacking energy: -657.636 Base-Backbone interact. energy: -2.548 local terms energy: -656.707558 where: bonds (distance) C4'-P energy: -121.388 bonds (distance) P-C4' energy: -116.197 flat angles C4'-P-C4' energy: -142.994 flat angles P-C4'-P energy: -91.188 tors. eta vs tors. theta energy: -184.941 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: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2205.098487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.098487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.098487 (E_RNA) where: Base-Base interactions energy: -1553.802 where: short stacking energy: -641.816 Base-Backbone interact. energy: 0.434 local terms energy: -651.730438 where: bonds (distance) C4'-P energy: -131.618 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -133.917 flat angles P-C4'-P energy: -99.560 tors. eta vs tors. theta energy: -164.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2121.749330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.749330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.749330 (E_RNA) where: Base-Base interactions energy: -1506.113 where: short stacking energy: -635.335 Base-Backbone interact. energy: -0.716 local terms energy: -614.920997 where: bonds (distance) C4'-P energy: -101.633 bonds (distance) P-C4' energy: -119.118 flat angles C4'-P-C4' energy: -142.187 flat angles P-C4'-P energy: -87.078 tors. eta vs tors. theta energy: -164.906 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: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1880.106010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.106010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.106010 (E_RNA) where: Base-Base interactions energy: -1302.596 where: short stacking energy: -541.971 Base-Backbone interact. energy: 0.577 local terms energy: -578.087089 where: bonds (distance) C4'-P energy: -100.910 bonds (distance) P-C4' energy: -119.130 flat angles C4'-P-C4' energy: -130.120 flat angles P-C4'-P energy: -79.818 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: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1705.574602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.574602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.574602 (E_RNA) where: Base-Base interactions energy: -1148.079 where: short stacking energy: -499.705 Base-Backbone interact. energy: -0.988 local terms energy: -556.508111 where: bonds (distance) C4'-P energy: -115.450 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -118.960 flat angles P-C4'-P energy: -73.101 tors. eta vs tors. theta energy: -136.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1373.785069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.785069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.785069 (E_RNA) where: Base-Base interactions energy: -909.923 where: short stacking energy: -408.614 Base-Backbone interact. energy: 0.341 local terms energy: -464.203247 where: bonds (distance) C4'-P energy: -105.829 bonds (distance) P-C4' energy: -125.606 flat angles C4'-P-C4' energy: -87.577 flat angles P-C4'-P energy: -66.457 tors. eta vs tors. theta energy: -78.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1077.199207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.199207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.199207 (E_RNA) where: Base-Base interactions energy: -626.400 where: short stacking energy: -293.362 Base-Backbone interact. energy: 0.453 local terms energy: -451.252533 where: bonds (distance) C4'-P energy: -113.801 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -80.765 tors. eta vs tors. theta energy: -42.325 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: 492 Temperature: 1.350000 Total energy: -862.371292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.371292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.371292 (E_RNA) where: Base-Base interactions energy: -540.187 where: short stacking energy: -259.784 Base-Backbone interact. energy: -1.181 local terms energy: -321.003702 where: bonds (distance) C4'-P energy: -96.363 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -80.123 flat angles P-C4'-P energy: -44.427 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -2390.600690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.600690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.600690 (E_RNA) where: Base-Base interactions energy: -1688.180 where: short stacking energy: -686.734 Base-Backbone interact. energy: -4.017 local terms energy: -698.403087 where: bonds (distance) C4'-P energy: -118.646 bonds (distance) P-C4' energy: -117.259 flat angles C4'-P-C4' energy: -145.913 flat angles P-C4'-P energy: -109.193 tors. eta vs tors. theta energy: -207.391 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: 2, replica: 9 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2302.018280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.018280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.018280 (E_RNA) where: Base-Base interactions energy: -1615.526 where: short stacking energy: -672.719 Base-Backbone interact. energy: 1.284 local terms energy: -687.776525 where: bonds (distance) C4'-P energy: -128.089 bonds (distance) P-C4' energy: -141.031 flat angles C4'-P-C4' energy: -131.264 flat angles P-C4'-P energy: -97.060 tors. eta vs tors. theta energy: -190.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2186.852829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.852829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.852829 (E_RNA) where: Base-Base interactions energy: -1525.738 where: short stacking energy: -649.608 Base-Backbone interact. energy: -2.628 local terms energy: -658.486854 where: bonds (distance) C4'-P energy: -118.982 bonds (distance) P-C4' energy: -131.632 flat angles C4'-P-C4' energy: -136.007 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -179.185 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2218.710345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.710345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.710345 (E_RNA) where: Base-Base interactions energy: -1555.690 where: short stacking energy: -645.446 Base-Backbone interact. energy: -0.673 local terms energy: -662.346997 where: bonds (distance) C4'-P energy: -130.597 bonds (distance) P-C4' energy: -122.558 flat angles C4'-P-C4' energy: -146.386 flat angles P-C4'-P energy: -95.820 tors. eta vs tors. theta energy: -166.985 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: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2132.353405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.353405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.353405 (E_RNA) where: Base-Base interactions energy: -1492.054 where: short stacking energy: -631.907 Base-Backbone interact. energy: -0.335 local terms energy: -639.964360 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -122.874 flat angles C4'-P-C4' energy: -141.171 flat angles P-C4'-P energy: -87.986 tors. eta vs tors. theta energy: -167.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1918.306119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.306119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.306119 (E_RNA) where: Base-Base interactions energy: -1294.568 where: short stacking energy: -556.213 Base-Backbone interact. energy: -3.113 local terms energy: -620.624567 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -131.225 flat angles C4'-P-C4' energy: -135.083 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -160.212 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: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1692.047804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.047804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.047804 (E_RNA) where: Base-Base interactions energy: -1161.630 where: short stacking energy: -475.805 Base-Backbone interact. energy: -0.052 local terms energy: -530.366372 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -120.911 flat angles C4'-P-C4' energy: -124.862 flat angles P-C4'-P energy: -67.219 tors. eta vs tors. theta energy: -121.599 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: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1375.092040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.092040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.092040 (E_RNA) where: Base-Base interactions energy: -884.712 where: short stacking energy: -412.331 Base-Backbone interact. energy: 0.498 local terms energy: -490.878282 where: bonds (distance) C4'-P energy: -103.345 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -111.524 flat angles P-C4'-P energy: -79.538 tors. eta vs tors. theta energy: -85.223 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: 2 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1057.198766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.198766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.198766 (E_RNA) where: Base-Base interactions energy: -635.385 where: short stacking energy: -316.805 Base-Backbone interact. energy: 0.370 local terms energy: -422.184133 where: bonds (distance) C4'-P energy: -104.409 bonds (distance) P-C4' energy: -106.778 flat angles C4'-P-C4' energy: -94.725 flat angles P-C4'-P energy: -74.462 tors. eta vs tors. theta energy: -41.810 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: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -912.175163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.175163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.175163 (E_RNA) where: Base-Base interactions energy: -527.345 where: short stacking energy: -258.047 Base-Backbone interact. energy: -1.940 local terms energy: -382.890122 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -109.083 flat angles C4'-P-C4' energy: -81.903 flat angles P-C4'-P energy: -68.626 tors. eta vs tors. theta energy: -25.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -2344.423361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.423361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.423361 (E_RNA) where: Base-Base interactions energy: -1626.039 where: short stacking energy: -680.126 Base-Backbone interact. energy: -0.203 local terms energy: -718.181150 where: bonds (distance) C4'-P energy: -122.928 bonds (distance) P-C4' energy: -140.467 flat angles C4'-P-C4' energy: -159.221 flat angles P-C4'-P energy: -97.224 tors. eta vs tors. theta energy: -198.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2358.554571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.554571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.554571 (E_RNA) where: Base-Base interactions energy: -1659.067 where: short stacking energy: -684.684 Base-Backbone interact. energy: -2.857 local terms energy: -696.630118 where: bonds (distance) C4'-P energy: -141.841 bonds (distance) P-C4' energy: -122.793 flat angles C4'-P-C4' energy: -140.636 flat angles P-C4'-P energy: -103.493 tors. eta vs tors. theta energy: -187.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2265.831021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.831021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.831021 (E_RNA) where: Base-Base interactions energy: -1617.896 where: short stacking energy: -652.017 Base-Backbone interact. energy: -2.269 local terms energy: -645.665779 where: bonds (distance) C4'-P energy: -133.104 bonds (distance) P-C4' energy: -122.758 flat angles C4'-P-C4' energy: -134.864 flat angles P-C4'-P energy: -85.331 tors. eta vs tors. theta energy: -169.609 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: 1 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2167.910271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.910271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.910271 (E_RNA) where: Base-Base interactions energy: -1503.170 where: short stacking energy: -651.054 Base-Backbone interact. energy: -0.749 local terms energy: -663.991593 where: bonds (distance) C4'-P energy: -118.194 bonds (distance) P-C4' energy: -135.815 flat angles C4'-P-C4' energy: -132.926 flat angles P-C4'-P energy: -93.546 tors. eta vs tors. theta energy: -183.511 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: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2109.277795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.277795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.277795 (E_RNA) where: Base-Base interactions energy: -1504.897 where: short stacking energy: -625.877 Base-Backbone interact. energy: -0.949 local terms energy: -603.431922 where: bonds (distance) C4'-P energy: -113.383 bonds (distance) P-C4' energy: -113.021 flat angles C4'-P-C4' energy: -134.031 flat angles P-C4'-P energy: -92.306 tors. eta vs tors. theta energy: -150.691 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: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1956.724606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.724606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.724606 (E_RNA) where: Base-Base interactions energy: -1360.485 where: short stacking energy: -562.776 Base-Backbone interact. energy: 4.638 local terms energy: -600.877015 where: bonds (distance) C4'-P energy: -127.033 bonds (distance) P-C4' energy: -107.494 flat angles C4'-P-C4' energy: -132.491 flat angles P-C4'-P energy: -85.932 tors. eta vs tors. theta energy: -147.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1729.981943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.981943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.981943 (E_RNA) where: Base-Base interactions energy: -1209.141 where: short stacking energy: -520.601 Base-Backbone interact. energy: -0.330 local terms energy: -520.511298 where: bonds (distance) C4'-P energy: -91.386 bonds (distance) P-C4' energy: -107.916 flat angles C4'-P-C4' energy: -110.443 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -129.552 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: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1428.598393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.598393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.598393 (E_RNA) where: Base-Base interactions energy: -938.318 where: short stacking energy: -404.611 Base-Backbone interact. energy: -3.214 local terms energy: -487.065777 where: bonds (distance) C4'-P energy: -106.625 bonds (distance) P-C4' energy: -102.748 flat angles C4'-P-C4' energy: -117.705 flat angles P-C4'-P energy: -77.313 tors. eta vs tors. theta energy: -82.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1065.442224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.442224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.442224 (E_RNA) where: Base-Base interactions energy: -632.208 where: short stacking energy: -311.024 Base-Backbone interact. energy: 6.933 local terms energy: -440.166572 where: bonds (distance) C4'-P energy: -106.609 bonds (distance) P-C4' energy: -109.274 flat angles C4'-P-C4' energy: -107.311 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -53.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -878.796270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.796270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.796270 (E_RNA) where: Base-Base interactions energy: -506.767 where: short stacking energy: -254.938 Base-Backbone interact. energy: -1.829 local terms energy: -370.199814 where: bonds (distance) C4'-P energy: -102.401 bonds (distance) P-C4' energy: -96.360 flat angles C4'-P-C4' energy: -95.082 flat angles P-C4'-P energy: -67.213 tors. eta vs tors. theta energy: -9.143 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: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -2331.918182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.918182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.918182 (E_RNA) where: Base-Base interactions energy: -1625.522 where: short stacking energy: -702.082 Base-Backbone interact. energy: 2.075 local terms energy: -708.471245 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -138.733 flat angles C4'-P-C4' energy: -157.898 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -194.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2335.705509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.705509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.705509 (E_RNA) where: Base-Base interactions energy: -1652.548 where: short stacking energy: -658.611 Base-Backbone interact. energy: -3.784 local terms energy: -679.372743 where: bonds (distance) C4'-P energy: -124.977 bonds (distance) P-C4' energy: -127.055 flat angles C4'-P-C4' energy: -148.558 flat angles P-C4'-P energy: -91.622 tors. eta vs tors. theta energy: -187.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2268.303340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.303340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.303340 (E_RNA) where: Base-Base interactions energy: -1611.390 where: short stacking energy: -660.044 Base-Backbone interact. energy: -3.116 local terms energy: -653.797128 where: bonds (distance) C4'-P energy: -117.376 bonds (distance) P-C4' energy: -119.292 flat angles C4'-P-C4' energy: -148.332 flat angles P-C4'-P energy: -89.510 tors. eta vs tors. theta energy: -179.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2184.483624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.483624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.483624 (E_RNA) where: Base-Base interactions energy: -1498.021 where: short stacking energy: -631.412 Base-Backbone interact. energy: -4.557 local terms energy: -681.906406 where: bonds (distance) C4'-P energy: -124.913 bonds (distance) P-C4' energy: -122.778 flat angles C4'-P-C4' energy: -140.151 flat angles P-C4'-P energy: -105.111 tors. eta vs tors. theta energy: -188.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2136.250337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.250337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.250337 (E_RNA) where: Base-Base interactions energy: -1515.024 where: short stacking energy: -600.929 Base-Backbone interact. energy: -3.936 local terms energy: -617.290103 where: bonds (distance) C4'-P energy: -98.300 bonds (distance) P-C4' energy: -123.643 flat angles C4'-P-C4' energy: -144.797 flat angles P-C4'-P energy: -86.885 tors. eta vs tors. theta energy: -163.665 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: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1929.031253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.031253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.031253 (E_RNA) where: Base-Base interactions energy: -1339.024 where: short stacking energy: -585.103 Base-Backbone interact. energy: -1.066 local terms energy: -588.941535 where: bonds (distance) C4'-P energy: -106.333 bonds (distance) P-C4' energy: -102.178 flat angles C4'-P-C4' energy: -128.658 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: -161.498 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: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1724.773324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.773324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.773324 (E_RNA) where: Base-Base interactions energy: -1207.529 where: short stacking energy: -520.439 Base-Backbone interact. energy: 0.914 local terms energy: -518.158457 where: bonds (distance) C4'-P energy: -101.353 bonds (distance) P-C4' energy: -93.149 flat angles C4'-P-C4' energy: -117.420 flat angles P-C4'-P energy: -83.831 tors. eta vs tors. theta energy: -122.405 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: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1361.210782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.210782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.210782 (E_RNA) where: Base-Base interactions energy: -898.331 where: short stacking energy: -391.211 Base-Backbone interact. energy: -2.422 local terms energy: -460.458059 where: bonds (distance) C4'-P energy: -111.407 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -98.768 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -77.477 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: 9, replica: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1075.060825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.060825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.060825 (E_RNA) where: Base-Base interactions energy: -625.208 where: short stacking energy: -318.616 Base-Backbone interact. energy: 2.158 local terms energy: -452.011114 where: bonds (distance) C4'-P energy: -90.797 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -113.486 flat angles P-C4'-P energy: -60.652 tors. eta vs tors. theta energy: -58.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -955.043772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.043772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.043772 (E_RNA) where: Base-Base interactions energy: -534.098 where: short stacking energy: -268.852 Base-Backbone interact. energy: 0.900 local terms energy: -421.846194 where: bonds (distance) C4'-P energy: -97.125 bonds (distance) P-C4' energy: -126.934 flat angles C4'-P-C4' energy: -89.165 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -28.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -2433.546588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.546588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.546588 (E_RNA) where: Base-Base interactions energy: -1721.841 where: short stacking energy: -692.090 Base-Backbone interact. energy: -2.091 local terms energy: -709.614062 where: bonds (distance) C4'-P energy: -133.117 bonds (distance) P-C4' energy: -121.840 flat angles C4'-P-C4' energy: -144.349 flat angles P-C4'-P energy: -104.661 tors. eta vs tors. theta energy: -205.648 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: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2279.795360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.795360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.795360 (E_RNA) where: Base-Base interactions energy: -1592.043 where: short stacking energy: -675.487 Base-Backbone interact. energy: 0.585 local terms energy: -688.337734 where: bonds (distance) C4'-P energy: -121.249 bonds (distance) P-C4' energy: -134.292 flat angles C4'-P-C4' energy: -144.724 flat angles P-C4'-P energy: -99.232 tors. eta vs tors. theta energy: -188.841 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: 496 Temperature: 1.000000 Total energy: -2291.340153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.340153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.340153 (E_RNA) where: Base-Base interactions energy: -1613.553 where: short stacking energy: -684.436 Base-Backbone interact. energy: -4.426 local terms energy: -673.361079 where: bonds (distance) C4'-P energy: -119.017 bonds (distance) P-C4' energy: -130.174 flat angles C4'-P-C4' energy: -148.790 flat angles P-C4'-P energy: -92.418 tors. eta vs tors. theta energy: -182.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2151.726386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.726386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.726386 (E_RNA) where: Base-Base interactions energy: -1501.051 where: short stacking energy: -639.638 Base-Backbone interact. energy: 1.195 local terms energy: -651.870362 where: bonds (distance) C4'-P energy: -125.608 bonds (distance) P-C4' energy: -114.656 flat angles C4'-P-C4' energy: -138.542 flat angles P-C4'-P energy: -95.288 tors. eta vs tors. theta energy: -177.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2117.103008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.103008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.103008 (E_RNA) where: Base-Base interactions energy: -1496.517 where: short stacking energy: -611.775 Base-Backbone interact. energy: 1.077 local terms energy: -621.662848 where: bonds (distance) C4'-P energy: -101.892 bonds (distance) P-C4' energy: -126.050 flat angles C4'-P-C4' energy: -131.911 flat angles P-C4'-P energy: -91.641 tors. eta vs tors. theta energy: -170.169 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: 3 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1966.582201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.582201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.582201 (E_RNA) where: Base-Base interactions energy: -1351.680 where: short stacking energy: -594.416 Base-Backbone interact. energy: -0.886 local terms energy: -614.016736 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -124.215 flat angles C4'-P-C4' energy: -122.404 flat angles P-C4'-P energy: -93.539 tors. eta vs tors. theta energy: -166.480 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: 10 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1715.870955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.870955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.870955 (E_RNA) where: Base-Base interactions energy: -1173.018 where: short stacking energy: -484.314 Base-Backbone interact. energy: -0.164 local terms energy: -542.688484 where: bonds (distance) C4'-P energy: -110.103 bonds (distance) P-C4' energy: -114.471 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -69.234 tors. eta vs tors. theta energy: -129.471 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: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1444.378043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.378043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.378043 (E_RNA) where: Base-Base interactions energy: -970.986 where: short stacking energy: -454.397 Base-Backbone interact. energy: 3.240 local terms energy: -476.632077 where: bonds (distance) C4'-P energy: -109.247 bonds (distance) P-C4' energy: -114.998 flat angles C4'-P-C4' energy: -99.731 flat angles P-C4'-P energy: -70.617 tors. eta vs tors. theta energy: -82.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1084.691235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.691235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.691235 (E_RNA) where: Base-Base interactions energy: -665.114 where: short stacking energy: -308.738 Base-Backbone interact. energy: 0.238 local terms energy: -419.814799 where: bonds (distance) C4'-P energy: -123.084 bonds (distance) P-C4' energy: -108.457 flat angles C4'-P-C4' energy: -93.010 flat angles P-C4'-P energy: -62.001 tors. eta vs tors. theta energy: -33.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -997.393762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.393762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.393762 (E_RNA) where: Base-Base interactions energy: -595.405 where: short stacking energy: -283.786 Base-Backbone interact. energy: -3.189 local terms energy: -398.799499 where: bonds (distance) C4'-P energy: -109.173 bonds (distance) P-C4' energy: -124.824 flat angles C4'-P-C4' energy: -86.807 flat angles P-C4'-P energy: -59.393 tors. eta vs tors. theta energy: -18.603 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: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -2429.891806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.891806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.891806 (E_RNA) where: Base-Base interactions energy: -1715.849 where: short stacking energy: -716.624 Base-Backbone interact. energy: 0.152 local terms energy: -714.194335 where: bonds (distance) C4'-P energy: -120.728 bonds (distance) P-C4' energy: -134.259 flat angles C4'-P-C4' energy: -152.375 flat angles P-C4'-P energy: -100.058 tors. eta vs tors. theta energy: -206.775 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: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2347.719970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.719970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.719970 (E_RNA) where: Base-Base interactions energy: -1646.628 where: short stacking energy: -708.175 Base-Backbone interact. energy: 2.059 local terms energy: -703.151063 where: bonds (distance) C4'-P energy: -138.598 bonds (distance) P-C4' energy: -135.316 flat angles C4'-P-C4' energy: -140.144 flat angles P-C4'-P energy: -104.473 tors. eta vs tors. theta energy: -184.621 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: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2237.294327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.294327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.294327 (E_RNA) where: Base-Base interactions energy: -1577.729 where: short stacking energy: -656.092 Base-Backbone interact. energy: -3.783 local terms energy: -655.782502 where: bonds (distance) C4'-P energy: -108.810 bonds (distance) P-C4' energy: -127.825 flat angles C4'-P-C4' energy: -135.201 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -189.632 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: 4, replica: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2145.021933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.021933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.021933 (E_RNA) where: Base-Base interactions energy: -1484.245 where: short stacking energy: -636.810 Base-Backbone interact. energy: 1.297 local terms energy: -662.073775 where: bonds (distance) C4'-P energy: -117.312 bonds (distance) P-C4' energy: -132.230 flat angles C4'-P-C4' energy: -144.183 flat angles P-C4'-P energy: -89.246 tors. eta vs tors. theta energy: -179.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2097.602855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.602855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.602855 (E_RNA) where: Base-Base interactions energy: -1469.358 where: short stacking energy: -611.347 Base-Backbone interact. energy: -4.428 local terms energy: -623.816430 where: bonds (distance) C4'-P energy: -128.798 bonds (distance) P-C4' energy: -126.651 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -84.702 tors. eta vs tors. theta energy: -147.234 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: 6, replica: 3 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1951.834431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.834431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.834431 (E_RNA) where: Base-Base interactions energy: -1328.742 where: short stacking energy: -581.028 Base-Backbone interact. energy: -0.871 local terms energy: -622.221525 where: bonds (distance) C4'-P energy: -118.380 bonds (distance) P-C4' energy: -130.592 flat angles C4'-P-C4' energy: -132.653 flat angles P-C4'-P energy: -84.385 tors. eta vs tors. theta energy: -156.212 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: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1693.581642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.581642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.581642 (E_RNA) where: Base-Base interactions energy: -1162.474 where: short stacking energy: -527.805 Base-Backbone interact. energy: 0.173 local terms energy: -531.280847 where: bonds (distance) C4'-P energy: -99.164 bonds (distance) P-C4' energy: -111.548 flat angles C4'-P-C4' energy: -126.003 flat angles P-C4'-P energy: -63.210 tors. eta vs tors. theta energy: -131.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1439.656269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.656269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.656269 (E_RNA) where: Base-Base interactions energy: -935.096 where: short stacking energy: -417.076 Base-Backbone interact. energy: -2.270 local terms energy: -502.290290 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -114.220 flat angles C4'-P-C4' energy: -123.186 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -85.246 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: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1158.716855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.716855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.716855 (E_RNA) where: Base-Base interactions energy: -720.792 where: short stacking energy: -324.818 Base-Backbone interact. energy: -1.112 local terms energy: -436.812056 where: bonds (distance) C4'-P energy: -114.890 bonds (distance) P-C4' energy: -106.309 flat angles C4'-P-C4' energy: -95.088 flat angles P-C4'-P energy: -54.846 tors. eta vs tors. theta energy: -65.679 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: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -945.428237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.428237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.428237 (E_RNA) where: Base-Base interactions energy: -581.713 where: short stacking energy: -256.077 Base-Backbone interact. energy: -2.378 local terms energy: -361.337650 where: bonds (distance) C4'-P energy: -80.958 bonds (distance) P-C4' energy: -106.408 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -59.675 tors. eta vs tors. theta energy: -17.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -2411.501927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.501927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.501927 (E_RNA) where: Base-Base interactions energy: -1713.028 where: short stacking energy: -714.986 Base-Backbone interact. energy: 0.675 local terms energy: -699.148643 where: bonds (distance) C4'-P energy: -120.688 bonds (distance) P-C4' energy: -127.927 flat angles C4'-P-C4' energy: -156.693 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -199.786 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: 2, replica: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -2335.101824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.101824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.101824 (E_RNA) where: Base-Base interactions energy: -1653.932 where: short stacking energy: -708.231 Base-Backbone interact. energy: -0.560 local terms energy: -680.610391 where: bonds (distance) C4'-P energy: -124.636 bonds (distance) P-C4' energy: -121.842 flat angles C4'-P-C4' energy: -142.084 flat angles P-C4'-P energy: -97.482 tors. eta vs tors. theta energy: -194.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2222.622152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.622152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.622152 (E_RNA) where: Base-Base interactions energy: -1542.438 where: short stacking energy: -667.890 Base-Backbone interact. energy: -3.381 local terms energy: -676.803014 where: bonds (distance) C4'-P energy: -110.109 bonds (distance) P-C4' energy: -134.115 flat angles C4'-P-C4' energy: -151.094 flat angles P-C4'-P energy: -97.069 tors. eta vs tors. theta energy: -184.415 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: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2147.858732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.858732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.858732 (E_RNA) where: Base-Base interactions energy: -1518.334 where: short stacking energy: -642.406 Base-Backbone interact. energy: -3.172 local terms energy: -626.351927 where: bonds (distance) C4'-P energy: -102.143 bonds (distance) P-C4' energy: -124.699 flat angles C4'-P-C4' energy: -146.131 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -179.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2116.149228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.149228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.149228 (E_RNA) where: Base-Base interactions energy: -1496.812 where: short stacking energy: -611.214 Base-Backbone interact. energy: -3.500 local terms energy: -615.837772 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -122.182 flat angles C4'-P-C4' energy: -127.348 flat angles P-C4'-P energy: -96.785 tors. eta vs tors. theta energy: -168.029 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: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2003.447196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.447196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.447196 (E_RNA) where: Base-Base interactions energy: -1409.604 where: short stacking energy: -609.137 Base-Backbone interact. energy: -2.474 local terms energy: -591.370104 where: bonds (distance) C4'-P energy: -95.312 bonds (distance) P-C4' energy: -110.747 flat angles C4'-P-C4' energy: -137.440 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: -172.215 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: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1698.080432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.080432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.080432 (E_RNA) where: Base-Base interactions energy: -1158.051 where: short stacking energy: -509.714 Base-Backbone interact. energy: -2.207 local terms energy: -537.822364 where: bonds (distance) C4'-P energy: -100.169 bonds (distance) P-C4' energy: -111.801 flat angles C4'-P-C4' energy: -124.389 flat angles P-C4'-P energy: -67.276 tors. eta vs tors. theta energy: -134.188 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: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1441.475042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.475042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.475042 (E_RNA) where: Base-Base interactions energy: -994.672 where: short stacking energy: -445.382 Base-Backbone interact. energy: -1.105 local terms energy: -445.697991 where: bonds (distance) C4'-P energy: -103.076 bonds (distance) P-C4' energy: -95.888 flat angles C4'-P-C4' energy: -105.688 flat angles P-C4'-P energy: -61.592 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: 9, replica: 2 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1165.877889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.877889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.877889 (E_RNA) where: Base-Base interactions energy: -717.891 where: short stacking energy: -321.379 Base-Backbone interact. energy: 2.248 local terms energy: -450.235514 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -129.745 flat angles C4'-P-C4' energy: -109.128 flat angles P-C4'-P energy: -60.113 tors. eta vs tors. theta energy: -55.094 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: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -923.172710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.172710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.172710 (E_RNA) where: Base-Base interactions energy: -521.314 where: short stacking energy: -240.967 Base-Backbone interact. energy: -2.060 local terms energy: -399.798402 where: bonds (distance) C4'-P energy: -108.875 bonds (distance) P-C4' energy: -108.009 flat angles C4'-P-C4' energy: -103.347 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: -24.499 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: 1, replica: 5 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -2406.434288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.434288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.434288 (E_RNA) where: Base-Base interactions energy: -1699.304 where: short stacking energy: -703.062 Base-Backbone interact. energy: -4.504 local terms energy: -702.626501 where: bonds (distance) C4'-P energy: -120.321 bonds (distance) P-C4' energy: -129.910 flat angles C4'-P-C4' energy: -148.884 flat angles P-C4'-P energy: -110.236 tors. eta vs tors. theta energy: -193.276 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: 8 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2343.344347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.344347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.344347 (E_RNA) where: Base-Base interactions energy: -1630.383 where: short stacking energy: -692.716 Base-Backbone interact. energy: -4.289 local terms energy: -708.672241 where: bonds (distance) C4'-P energy: -133.122 bonds (distance) P-C4' energy: -140.943 flat angles C4'-P-C4' energy: -140.379 flat angles P-C4'-P energy: -97.251 tors. eta vs tors. theta energy: -196.978 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: 3, replica: 9 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2206.146541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.146541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.146541 (E_RNA) where: Base-Base interactions energy: -1568.483 where: short stacking energy: -661.769 Base-Backbone interact. energy: -1.694 local terms energy: -635.969215 where: bonds (distance) C4'-P energy: -96.936 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -138.089 flat angles P-C4'-P energy: -101.534 tors. eta vs tors. theta energy: -183.594 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: 6 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2179.542526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.542526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.542526 (E_RNA) where: Base-Base interactions energy: -1544.626 where: short stacking energy: -637.283 Base-Backbone interact. energy: 0.274 local terms energy: -635.190271 where: bonds (distance) C4'-P energy: -130.165 bonds (distance) P-C4' energy: -126.349 flat angles C4'-P-C4' energy: -133.046 flat angles P-C4'-P energy: -79.013 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: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2071.180410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.180410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.180410 (E_RNA) where: Base-Base interactions energy: -1440.756 where: short stacking energy: -615.698 Base-Backbone interact. energy: -3.753 local terms energy: -626.671823 where: bonds (distance) C4'-P energy: -127.492 bonds (distance) P-C4' energy: -116.730 flat angles C4'-P-C4' energy: -127.720 flat angles P-C4'-P energy: -87.291 tors. eta vs tors. theta energy: -167.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1974.638284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.638284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.638284 (E_RNA) where: Base-Base interactions energy: -1386.157 where: short stacking energy: -588.913 Base-Backbone interact. energy: -1.929 local terms energy: -586.553021 where: bonds (distance) C4'-P energy: -98.203 bonds (distance) P-C4' energy: -96.437 flat angles C4'-P-C4' energy: -139.004 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -178.115 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: 10 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1655.343667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.343667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.343667 (E_RNA) where: Base-Base interactions energy: -1118.782 where: short stacking energy: -474.607 Base-Backbone interact. energy: 0.020 local terms energy: -536.582533 where: bonds (distance) C4'-P energy: -116.939 bonds (distance) P-C4' energy: -116.622 flat angles C4'-P-C4' energy: -109.300 flat angles P-C4'-P energy: -73.670 tors. eta vs tors. theta energy: -120.051 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: 8, replica: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1446.159908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.159908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.159908 (E_RNA) where: Base-Base interactions energy: -953.976 where: short stacking energy: -408.768 Base-Backbone interact. energy: -2.064 local terms energy: -490.120333 where: bonds (distance) C4'-P energy: -120.672 bonds (distance) P-C4' energy: -104.986 flat angles C4'-P-C4' energy: -106.904 flat angles P-C4'-P energy: -84.259 tors. eta vs tors. theta energy: -73.300 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: 2 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1152.377216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.377216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.377216 (E_RNA) where: Base-Base interactions energy: -733.118 where: short stacking energy: -308.104 Base-Backbone interact. energy: 4.330 local terms energy: -423.589121 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -113.858 flat angles C4'-P-C4' energy: -100.762 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -46.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -904.851985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.851985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.851985 (E_RNA) where: Base-Base interactions energy: -542.612 where: short stacking energy: -263.971 Base-Backbone interact. energy: 3.294 local terms energy: -365.533400 where: bonds (distance) C4'-P energy: -110.762 bonds (distance) P-C4' energy: -96.455 flat angles C4'-P-C4' energy: -108.099 flat angles P-C4'-P energy: -54.875 tors. eta vs tors. theta energy: 4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -2436.431069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.431069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.431069 (E_RNA) where: Base-Base interactions energy: -1712.203 where: short stacking energy: -699.815 Base-Backbone interact. energy: -1.638 local terms energy: -722.589840 where: bonds (distance) C4'-P energy: -126.377 bonds (distance) P-C4' energy: -128.950 flat angles C4'-P-C4' energy: -153.834 flat angles P-C4'-P energy: -103.312 tors. eta vs tors. theta energy: -210.117 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: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2331.375261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.375261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.375261 (E_RNA) where: Base-Base interactions energy: -1633.964 where: short stacking energy: -697.813 Base-Backbone interact. energy: -3.839 local terms energy: -693.572656 where: bonds (distance) C4'-P energy: -133.065 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -143.556 flat angles P-C4'-P energy: -101.084 tors. eta vs tors. theta energy: -184.516 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: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2239.057977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.057977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.057977 (E_RNA) where: Base-Base interactions energy: -1558.933 where: short stacking energy: -673.210 Base-Backbone interact. energy: -1.011 local terms energy: -679.114380 where: bonds (distance) C4'-P energy: -123.972 bonds (distance) P-C4' energy: -117.752 flat angles C4'-P-C4' energy: -135.397 flat angles P-C4'-P energy: -102.854 tors. eta vs tors. theta energy: -199.140 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: 4, replica: 6 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2159.124823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.124823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.124823 (E_RNA) where: Base-Base interactions energy: -1576.515 where: short stacking energy: -616.778 Base-Backbone interact. energy: -4.009 local terms energy: -578.601360 where: bonds (distance) C4'-P energy: -109.662 bonds (distance) P-C4' energy: -114.122 flat angles C4'-P-C4' energy: -138.892 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -152.932 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: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2076.251777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.251777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.251777 (E_RNA) where: Base-Base interactions energy: -1448.272 where: short stacking energy: -618.902 Base-Backbone interact. energy: -3.502 local terms energy: -624.477634 where: bonds (distance) C4'-P energy: -97.118 bonds (distance) P-C4' energy: -115.207 flat angles C4'-P-C4' energy: -139.872 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -173.174 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: 3 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1980.456984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.456984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.456984 (E_RNA) where: Base-Base interactions energy: -1384.250 where: short stacking energy: -570.758 Base-Backbone interact. energy: -0.341 local terms energy: -595.866235 where: bonds (distance) C4'-P energy: -118.618 bonds (distance) P-C4' energy: -116.304 flat angles C4'-P-C4' energy: -127.254 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -160.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1655.195599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.195599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.195599 (E_RNA) where: Base-Base interactions energy: -1114.570 where: short stacking energy: -492.300 Base-Backbone interact. energy: -0.157 local terms energy: -540.468342 where: bonds (distance) C4'-P energy: -116.713 bonds (distance) P-C4' energy: -105.886 flat angles C4'-P-C4' energy: -124.154 flat angles P-C4'-P energy: -74.385 tors. eta vs tors. theta energy: -119.330 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: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1425.956300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.956300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.956300 (E_RNA) where: Base-Base interactions energy: -953.889 where: short stacking energy: -418.127 Base-Backbone interact. energy: -1.917 local terms energy: -470.149802 where: bonds (distance) C4'-P energy: -110.428 bonds (distance) P-C4' energy: -121.157 flat angles C4'-P-C4' energy: -106.396 flat angles P-C4'-P energy: -59.879 tors. eta vs tors. theta energy: -72.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1101.611412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.611412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.611412 (E_RNA) where: Base-Base interactions energy: -675.531 where: short stacking energy: -324.276 Base-Backbone interact. energy: -2.324 local terms energy: -423.756470 where: bonds (distance) C4'-P energy: -85.183 bonds (distance) P-C4' energy: -105.415 flat angles C4'-P-C4' energy: -119.162 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -47.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -902.814672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.814672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.814672 (E_RNA) where: Base-Base interactions energy: -510.100 where: short stacking energy: -270.597 Base-Backbone interact. energy: 2.582 local terms energy: -395.296449 where: bonds (distance) C4'-P energy: -109.093 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -100.244 flat angles P-C4'-P energy: -55.876 tors. eta vs tors. theta energy: -18.545 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: 1, replica: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -2446.938140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.938140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.938140 (E_RNA) where: Base-Base interactions energy: -1728.144 where: short stacking energy: -698.208 Base-Backbone interact. energy: -3.239 local terms energy: -715.554765 where: bonds (distance) C4'-P energy: -134.940 bonds (distance) P-C4' energy: -138.380 flat angles C4'-P-C4' energy: -137.812 flat angles P-C4'-P energy: -95.194 tors. eta vs tors. theta energy: -209.229 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: 8 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2359.888973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.888973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.888973 (E_RNA) where: Base-Base interactions energy: -1648.332 where: short stacking energy: -690.651 Base-Backbone interact. energy: -0.452 local terms energy: -711.104990 where: bonds (distance) C4'-P energy: -137.612 bonds (distance) P-C4' energy: -141.278 flat angles C4'-P-C4' energy: -149.206 flat angles P-C4'-P energy: -95.829 tors. eta vs tors. theta energy: -187.179 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: 3, replica: 9 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2251.667257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.667257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.667257 (E_RNA) where: Base-Base interactions energy: -1584.951 where: short stacking energy: -673.942 Base-Backbone interact. energy: -0.273 local terms energy: -666.443643 where: bonds (distance) C4'-P energy: -117.597 bonds (distance) P-C4' energy: -132.631 flat angles C4'-P-C4' energy: -138.471 flat angles P-C4'-P energy: -86.443 tors. eta vs tors. theta energy: -191.302 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: 6 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2134.885949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.885949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.885949 (E_RNA) where: Base-Base interactions energy: -1507.324 where: short stacking energy: -609.229 Base-Backbone interact. energy: -1.576 local terms energy: -625.986605 where: bonds (distance) C4'-P energy: -138.960 bonds (distance) P-C4' energy: -107.722 flat angles C4'-P-C4' energy: -142.261 flat angles P-C4'-P energy: -87.434 tors. eta vs tors. theta energy: -149.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2057.150603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.150603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.150603 (E_RNA) where: Base-Base interactions energy: -1436.081 where: short stacking energy: -622.061 Base-Backbone interact. energy: 1.640 local terms energy: -622.709201 where: bonds (distance) C4'-P energy: -114.668 bonds (distance) P-C4' energy: -102.469 flat angles C4'-P-C4' energy: -137.601 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -180.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2018.936671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.936671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.936671 (E_RNA) where: Base-Base interactions energy: -1395.562 where: short stacking energy: -595.169 Base-Backbone interact. energy: -2.105 local terms energy: -621.269957 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -113.639 flat angles C4'-P-C4' energy: -138.279 flat angles P-C4'-P energy: -89.814 tors. eta vs tors. theta energy: -169.172 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: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1694.326884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.326884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.326884 (E_RNA) where: Base-Base interactions energy: -1132.229 where: short stacking energy: -507.306 Base-Backbone interact. energy: -1.247 local terms energy: -560.850918 where: bonds (distance) C4'-P energy: -116.610 bonds (distance) P-C4' energy: -115.154 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -76.897 tors. eta vs tors. theta energy: -123.543 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: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1487.507821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.507821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.507821 (E_RNA) where: Base-Base interactions energy: -1010.756 where: short stacking energy: -432.124 Base-Backbone interact. energy: 10.021 local terms energy: -486.773283 where: bonds (distance) C4'-P energy: -99.796 bonds (distance) P-C4' energy: -114.609 flat angles C4'-P-C4' energy: -98.144 flat angles P-C4'-P energy: -75.985 tors. eta vs tors. theta energy: -98.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1086.330424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.330424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.330424 (E_RNA) where: Base-Base interactions energy: -668.603 where: short stacking energy: -328.832 Base-Backbone interact. energy: -0.748 local terms energy: -416.978970 where: bonds (distance) C4'-P energy: -87.785 bonds (distance) P-C4' energy: -110.294 flat angles C4'-P-C4' energy: -110.651 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -47.668 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: 501 Temperature: 1.350000 Total energy: -927.018717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.018717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.018717 (E_RNA) where: Base-Base interactions energy: -526.747 where: short stacking energy: -256.858 Base-Backbone interact. energy: 2.147 local terms energy: -402.419152 where: bonds (distance) C4'-P energy: -106.896 bonds (distance) P-C4' energy: -122.911 flat angles C4'-P-C4' energy: -93.716 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -22.551 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) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 107399184 moves confirmed later: 118657005 all moves confirmed: 226056189 percent of confirmed moves: 28.257024 current total energy: -2319.151269 recalc. total energy: -2319.151269 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 126034285 moves confirmed later: 142931703 all moves confirmed: 268965988 percent of confirmed moves: 33.620748 current total energy: -2203.086872 recalc. total energy: -2203.086872 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 101011708 moves confirmed later: 110012810 all moves confirmed: 211024518 percent of confirmed moves: 26.378065 current total energy: -2132.802004 recalc. total energy: -2132.802004 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 118870363 moves confirmed later: 133683468 all moves confirmed: 252553831 percent of confirmed moves: 31.569229 current total energy: -2028.667547 recalc. total energy: -2028.667547 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 123314100 moves confirmed later: 138715587 all moves confirmed: 262029687 percent of confirmed moves: 32.753711 current total energy: -1969.691488 recalc. total energy: -1969.691488 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 123998547 moves confirmed later: 140313157 all moves confirmed: 264311704 percent of confirmed moves: 33.038963 current total energy: -1841.084177 recalc. total energy: -1841.084177 replica 10 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 153660059 moves confirmed later: 178842487 all moves confirmed: 332502546 percent of confirmed moves: 41.562818 current total energy: -1609.053863 recalc. total energy: -1609.053863 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 197764583 moves confirmed later: 235930202 all moves confirmed: 433694785 percent of confirmed moves: 54.211848 current total energy: -1438.662929 recalc. total energy: -1438.662929 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 212221981 moves confirmed later: 255010669 all moves confirmed: 467232650 percent of confirmed moves: 58.404081 current total energy: -977.153773 recalc. total energy: -977.153773 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 122055102 moves confirmed later: 137570984 all moves confirmed: 259626086 percent of confirmed moves: 32.453261 current total energy: -787.321102 recalc. total energy: -787.321102 out arg RESULTS//1/HH-tRNA-HDV_Construc-9ec765ab_01 Time of doing 8000000 iterations: 37574.865 seconds